smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC[C@H](C)Oc1c(I)cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1OC	658744	FDIBJYGNCBKAJR-PFSWGADMSA-N	554.381	4.448	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	6167980	VKLUTNPFXSIVBH-QPJBPQEWSA-N	588.642	4.041	10	40	KICB	
COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)C2=O)cc1	8432921	ZRJWORMANTYFRR-JCMHNJIXSA-N	583.717	4.133	10	40	KICB	
COc1ccc(CN2C(=O)/C(=C/c3c(NC[C@@H](O)c4ccccc4)nc4ccccn4c3=O)SC2=S)cc1	101062090	DNSWNGGAYTVKRP-IQDKPADRSA-N	544.658	4.250	10	40	KICB	
CCCCOc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1OC	103128583	ANTXHJKQHYHQFI-BOPFTXTBSA-N	534.350	4.454	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	103845175	ZDDGSZXIFKDGIK-KEBDBYFISA-N	577.977	4.460	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OCc1cccc(C)c1	408807872	IEHXMUJAYNTNIM-HZHRSRAPSA-N	514.534	4.426	10	40	KICB	
COc1ccc(N2CCN(C(=O)CN(c3cc(Cl)ccc3OC)S(=O)(=O)c3ccc(C)cc3)CC2)cc1	408926110	OTNJTLISTGCAOQ-UHFFFAOYSA-N	544.073	4.210	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1	409060076	SHIPFCVXOVUUAX-MKWGYRPRSA-N	596.547	4.478	10	40	KICB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409099040	RSCPCMSYHOQXME-JJHILCALSA-N	628.751	4.257	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F	409379014	UCRAJDWKGLFUSX-UNOMPAQXSA-N	595.967	4.348	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](c4ccccc4Br)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	100416810	ZASFDPRXZLMBFX-VJBWXMMDSA-N	574.383	4.321	10	40	KICB	
COc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)ccc1OCc1ccc(F)cc1	101060479	WXVDOEVQDFENFC-ZXLLOHKYSA-N	535.601	4.435	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1	111494514	GBNIMXCGQWNWMV-DLBLZJNESA-N	570.509	4.026	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	408530344	FCFQTBPHQLDZFB-NAAZAUSASA-N	557.515	4.287	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)cc3)C2=O)cc1	408552159	HRRGUVQMELSVHQ-NDENLUEZSA-N	568.369	4.464	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OC	408898614	QIDWYADYUJAAMP-ZSOIEALJSA-N	585.192	4.436	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OC(C)C	408946772	AYROOQFZFVZTDO-VIZOYTHASA-N	517.332	4.030	10	40	KICB	
CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(N(CC)CC)cc4)c(=O)n32)cc1	409041747	VMMAKEXNOBKEMS-NTWBUQQASA-N	533.694	4.432	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1	409067545	FEWSVVKEBYLTMX-VCHYOVAHSA-N	683.820	4.296	10	40	KICB	
Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	409371731	HAXGEBJQOMSYLI-YDZHTSKRSA-N	527.493	4.445	10	40	KICB	
COc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1	409378518	PODLPGFMAIYVDC-BKUYFWCQSA-N	595.362	4.050	10	40	KICB	
COc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1	409384775	FJACVYMQELORFB-STZFKDTASA-N	550.365	4.142	10	40	KICB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1C	409410074	YMVWVTRCEUPPHP-UNOMPAQXSA-N	536.382	4.245	10	40	KICB	
COc1ccc(-c2oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c3c2CC(=O)O)cc1F	524729384	QYJDXQBYOJNSAZ-UHFFFAOYSA-N	508.410	4.470	10	40	KICB	biogenic
COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)c2C)cc1	9282570	QMNGQNVCVDVYGW-RWYGKYMDSA-N	504.616	4.125	10	40	KICB	
Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1	97947744	GBEJMQIPASPYAG-HAHDFKILSA-N	561.664	4.463	10	40	KICB	
COc1ccccc1N1C(=O)[C@H]2[C@@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O	97949493	SYMMNTVNUXJENJ-BHIFYINESA-N	532.346	4.153	10	40	KICB	
CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C\Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	100148883	ZDBLTVSRRKSGSI-ATVHPVEESA-N	529.833	4.386	10	40	KICB	
CC[C@H](C)N1C(=O)/C(=C/c2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc3ccc(C)cn3c2=O)SC1=S	100763097	HLSUQXBCCVBOGN-QCYAWUEASA-N	577.732	4.054	10	40	KICB	
CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1	408532288	TZGBLYWWBDGXJZ-ODLFYWEKSA-N	579.416	4.122	10	40	KICB	
Cc1c(Br)ccc(N2C(=O)NC(=O)/C(=C\NN3C(=O)c4cccc5c(N6CCCCC6)ccc(c45)C3=O)C2=O)c1C	408534208	PRPNISHGONAENR-RCCKNPSSSA-N	616.472	4.477	10	40	KICB	
CCCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OC)c(=O)n21	409010235	BNTMAGITIIEEQP-HSUOJCLFSA-N	623.772	4.077	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1	409041555	JZVAVZWXSFJSRY-VXLYETTFSA-N	595.362	4.050	10	40	KICB	
O=C1NC(=O)C(=Cc2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)C(=O)N1	409053951	DZPFQVNFHRFRHT-UHFFFAOYSA-N	559.008	4.303	10	40	KICB	
COc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCCC5)c(C)c4)c(=O)n32)c1	409056604	SDDDWGROANHBEE-ZGOFBEGVSA-N	531.678	4.104	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCc1ccc(C(=O)O)cc1	409063537	BXGIMUJBCJDSGY-RGVLZGJSSA-N	628.375	4.339	10	40	KICB	
Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1	409159934	CISHBISIXHOTFN-HZHRSRAPSA-N	563.452	4.355	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C(C)C)C3=O)c(N3CCN(c4ccc(F)cc4)CC3)nc12	2253559	JAMKRUHHPSOXFQ-RCCKNPSSSA-N	523.659	4.078	10	40	KICB	
Cc1cc([C@H]2NC(N)=Nc3nc4ccccc4n32)c(C)n1-c1cc(C(F)(F)F)ccc1N1CCOCC1	3219961	QQSUZQCVCKQSON-QHCPKHFHSA-N	509.536	4.396	10	40	KICB	
COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1	8383785	DSOHZJKIKXPBKY-HYARGMPZSA-N	553.493	4.431	10	40	KICB	
COC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4ccc5c(c4)OCO5)C3=O)c2C)cc1	100405240	ULEQBFPCSIBXAS-FOKLQQMPSA-N	533.562	4.284	10	40	KICB	
COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(COc4ccc(F)cc4F)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	103252632	IWEBKMGVDZWIMQ-IPAKXIGBSA-N	605.663	4.340	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409042090	XMKMNTFQHWGCMP-PSAPEEBNSA-N	629.735	4.156	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4)c(Cl)c3)C2=O)cc1	409053906	DLASBPIWKQKCHS-KGENOOAVSA-N	519.941	4.423	10	40	KICB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12	409102342	YXJBBPWZVBXJJM-CBPRFPNYSA-N	641.750	4.010	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC	1831365	LNSXFLRBHMVWBW-ZGOFBEGVSA-N	545.636	4.354	10	40	KICB	
CC(C)(C)NC(=O)[C@H](c1ccc(N2CCOCC2)cc1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21	6074967	BFYMCKYBWFPMFE-MHZLTWQESA-N	546.697	4.014	10	40	KICB	
CCOC(=O)C1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C3CCCCC3)C2=O)CC1	8857885	CCWLENVKFFKUNY-SILNSSARSA-N	526.684	4.008	10	40	KICB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C(=O)O)cc4)c(OC)c3)C2=O)cc1	9259611	QYXRMYQQCLHFAX-HYARGMPZSA-N	500.507	4.201	10	40	KICB	
C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2c(N3C[C@@H](C)O[C@H](C)C3)nc3ccccn3c2=O)SC1=S	16734199	DMILYCJQXMSZDS-WMQDIMNQSA-N	506.653	4.271	10	40	KICB	
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1OCc1cccc(C)c1	59139795	YSGAWNPIJKUXNQ-UHFFFAOYSA-N	503.418	4.334	10	40	KICB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1C	97946438	PXOBGOCMECCKEY-ZWAQGKOVSA-N	525.677	4.245	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(NCC(C)C)nc12	97947260	KDJCWOVWTGKSEF-STZFKDTASA-N	560.705	4.274	10	40	KICB	
COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccc(F)cc1	101095190	LFYQQBYAOVHLAK-KGENOOAVSA-N	544.607	4.148	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OCC)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	103446586	KVOQYJDBUYRESZ-PYCBVSLESA-N	629.735	4.400	10	40	KICB	
O=S(=O)(O)c1ccc(N=Nc2ccc(N=Nc3c(O)c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)ccc34)c(S(=O)(=O)O)c2)cc1	257198458	KMNTUASVUKNVJS-UHFFFAOYSA-N	672.653	4.363	10	40	KICB	in-vitro
Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1	408885566	CAZCSIJBLBBLIV-XSFVSMFZSA-N	510.955	4.391	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccc(C(=O)O)cc4)c(OC)c3)C2=O)cc1	409068134	HKZMUYTXXNFMHM-RGVLZGJSSA-N	609.385	4.188	10	40	KICB	
COc1ccc(NC(=O)COc2cccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)c2)cc1	409378451	PIZVUNLEUPDWMR-LPYMAVHISA-N	505.914	4.033	10	40	KICB	
CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1	3872994	XMAYWYJOQHXEEK-JYFHCDHNSA-N	531.440	4.206	10	40	KICB	biogenic,fda
CC[C@H](C)Nc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O	8834839	RDGOJJJDFNDJOA-NOEYKIMYSA-N	524.668	4.366	10	40	KICB	
CN(C[C@@H](O)Cn1c2ccccc2c2ccccc21)S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O	102416285	FLGJFXRZFFPBOA-LJQANCHMSA-N	524.598	4.252	10	40	KICB	
COC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OC	103844139	OLXVAXVLGRIQMD-WYMPLXKRSA-N	544.604	4.381	10	40	KICB	
COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)Nc4ccc(C)cc4)cc3Cl)CC2)cc1	408592754	LOOVIQOQUNYJOR-UHFFFAOYSA-N	530.046	4.185	10	40	KICB	
COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1	408778848	MLWITAMYUMNBAR-MQXJPVLKSA-N	555.425	4.000	10	40	KICB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c(OS(=O)(=O)c2ccc(C)cc2)c1	408900056	SMUVICAJKFKDAV-HYARGMPZSA-N	520.563	4.055	10	40	KICB	
CCOC(=O)COc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1I	408983625	MWZUHQQMNUNFDN-SXGWCWSVSA-N	627.229	4.224	10	40	KICB	
O=C1NC(=S)NC(=O)C1=Cc1cc(Br)cc(Br)c1OCc1ccccc1Cl	409049788	YSISODSDJCJXEU-UHFFFAOYSA-N	530.625	4.358	10	40	KICB	
COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O	409099955	SCBNYUMBDKVZLQ-OQLLNIDSSA-N	506.411	4.442	10	40	KICB	
COc1ccc(CN2C(=O)/C(=C/c3cn(CC(=O)NC[C@H]4CCCO4)c4ccccc34)SC2=S)cc1	409123131	FFCGDZVXPUGLMQ-FKYOTISTSA-N	521.664	4.347	10	40	KICB	
COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccccc3Br)c2C)C1=O	409230170	CDMCYSXOMXHIIW-DEDYPNTBSA-N	523.387	4.397	10	40	KICB	
COc1cc(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc2c(c1)OCO2	409405935	IXABZIDUIDMGQX-ODLFYWEKSA-N	523.339	4.227	10	40	KICB	
Cc1ccc(C)c(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCC(C)C)c2ccc(N(C)C)cc2)c1	6195554	CRIIUCUTAGZDLN-DEOSSOPVSA-N	536.702	4.057	10	40	KICB	
COC(=O)c1c(-n2c(C)cc(/C=C3\C(=O)N=C(O)N(Cc4ccco4)C3=O)c2C)sc2c1CCCC2	16994906	AZSJQQJUVVTXOW-XDHOZWIPSA-N	507.568	4.280	10	40	KICB	
COc1cccc([C@@H](c2cc3c(cc2O)OCO3)N2CCN([C@H](c3cc4c(cc3O)OCO4)c3cccc(OC)c3O)CC2)c1O	22859554	NPBGZKJUMNQJMP-ACHIHNKUSA-N	630.650	4.480	10	40	KICB	
Cc1ccc2nc(N3CCN(c4cccc(Cl)c4)CC3)c(/C=C3\SC(=S)N(CCCC(=O)O)C3=O)c(=O)n2c1	100762328	ZSJRBRLIBAEOPX-QNGOZBTKSA-N	584.123	4.049	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)ccc1OC(=O)c1ccc(C)cc1	408535334	NQGYOXGSHLMFGX-HYARGMPZSA-N	500.507	4.288	10	40	KICB	
CCC(=O)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O	408535992	PKKLJSBNGVCWOD-WQLSENKSSA-N	540.139	4.333	10	40	KICB	
O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1cccc(Cl)c1Cl	408688895	RHMJXRZDXMGAJL-QKLQHJQFSA-N	501.366	4.038	10	40	KICB	
Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)C1=O	408851248	WUGHZHMOAMGQNG-RGVLZGJSSA-N	566.364	4.228	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1	409067926	RKVBLKLWHPLAJQ-VCHYOVAHSA-N	654.822	4.093	10	40	KICB	
COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C(=O)O)cc(C(=O)O)c4)o3)C2=O)ccc1Cl	409168616	MZJNGICCJXJURW-KEBDBYFISA-N	584.946	4.458	10	40	KICB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccccc4OCC)C3=O)c2C)cc1	409247887	DJERZQWHSTZVFK-CJLVFECKSA-N	501.539	4.336	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409366220	YZAZGUUMYNYXIN-GRSHGNNSSA-N	613.352	4.189	10	40	KICB	
COc1ccc(N2CCN(C(=O)c3ccc4c(c3)C[C@@H](C)N4S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1	20448722	GDDBJVHAZRPEBB-LJQANCHMSA-N	526.058	4.451	10	40	KICB	
CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(C)cc2)o1	408848302	TVBMREWUSQJGAE-PCLIKHOPSA-N	536.606	4.342	10	40	KICB	
O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Br)c(O)c([N+](=O)[O-])c1	408851478	KKGSLBVIVUZSPO-XBXARRHUSA-N	517.144	4.201	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408895812	OGCRFDAAGKMING-UDWIEESQSA-N	648.431	4.138	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OS(=O)(=O)c4ccccc4)c(Cl)c3)C2=O)cc1	409072873	FBVPSLLZTYGNFI-WOJGMQOQSA-N	575.382	4.214	10	40	KICB	
O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccn(S(=O)(=O)c2ccccc2)c1	13585826	QQBYYMUTCQWYRH-UHFFFAOYSA-N	500.985	4.410	10	40	KICB	
COC(=O)c1cc(N/C(C)=C2\C(=O)N(c3ccc(OC)cc3)N=C2c2ccc(OC)cc2)cc(C(=O)OC)c1	103922775	MRPQAKVTCUVNGJ-UQQQWYQISA-N	529.549	4.414	10	40	KICB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(I)c1OCc1c(C)ccc2ccccc12	408876305	KRMNFRUGRRZRIK-UHFFFAOYSA-N	558.397	4.255	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(C(=O)O)cc3)C2=O)c(OCC)c1	408960358	LEBFTYJNRMKJFV-PXLXIMEGSA-N	530.533	4.428	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409371658	FVYPDODYDYJTMB-GIJQJNRQSA-N	556.325	4.200	10	40	KICB	
O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	409373503	UIDXDLGGCJXZPS-VCHYOVAHSA-N	573.299	4.033	10	40	KICB	
COc1cc(Br)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc(C(=O)O)cc1	409408541	RDBPBUBLTJHHJV-UDWIEESQSA-N	523.339	4.196	10	40	KICB	
CC(C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)c(OCC(=O)O)c(I)c3)C2=O)cc1	150380368	HLBRPXDMNPCAOJ-CHHVJCJISA-N	660.202	4.149	10	40	KICB	
CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c(OC)c1	408744049	YJTWLGVTHLSFJO-LDADJPATSA-N	502.434	4.444	10	40	KICB	
CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1	408872746	PQSHUHSHZXBLKY-CIAFOILYSA-N	507.008	4.130	10	40	KICB	
CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(F)cc4)c(OC)c3)C(=O)NC2=S)cc1	409375436	KRBOPHFNZOZXDJ-HYARGMPZSA-N	533.581	4.246	10	40	KICB	
Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2[N+](=O)[O-])cc1	409400470	RKRTWJFWMCETKY-ODLFYWEKSA-N	551.353	4.145	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409404069	BRBSDHHAYPIBBK-NDENLUEZSA-N	554.372	4.466	10	40	KICB	
COc1cc(OC)c(CN2C(=O)c3ccccc3C2=O)cc1/C=C1/C(=O)N(c2ccc(F)cc2)C(=S)N=C1O	97970335	LOWSZAIXAIXHHN-CIAFOILYSA-N	545.548	4.311	10	40	KICB	
COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4OC)cc3)SC2=S)cc1	100358794	AIZAMBWPBSJXPL-HAHDFKILSA-N	549.630	4.268	10	40	KICB	
N=C1/C(=C/c2ccc(OCCOc3ccccc3)c(Cl)c2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12	101048524	ZVLBOFFMGDQFGE-SDQAEVJQSA-N	538.029	4.429	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccc(Cl)cc2)OC32C(=O)c3ccccc3C2=O)cc1	101099870	YDZPDPIZVJQGAK-DNVJHFABSA-N	529.932	4.212	10	40	KICB	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3cc(I)c(O)c(I)c3)C2=O)c1	164346746	PIUOPGDSKUVSGH-NTUHNPAUSA-N	648.191	4.065	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OC(=O)c1ccc2c(c1)OCO2	408538001	YILNSUNFPIQBOI-UDWIEESQSA-N	514.490	4.008	10	40	KICB	
COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc1I	408742734	SKFIMHHZOHCSOO-MDWZMJQESA-N	557.207	4.202	10	40	KICB	
Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)cc2Br)cc1	408947220	BHBHWFREJWWBEP-VXLYETTFSA-N	578.375	4.170	10	40	KICB	
Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)c1cc(C)n(-c2cccc(S(=O)(=O)N3CCOCC3)c2)c1C	103119941	PQVGKGAPPDHDRN-UHFFFAOYSA-N	563.632	4.118	10	40	KICB	
COc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Br)ccc2OC(=O)c2cc(OC)c(OC)c(OC)c2)C1=O	408534484	MCPJAVPIRUPQHJ-PDGQHHTCSA-N	611.401	4.369	10	40	KICB	
COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1	408849207	VOCXKVWTHVWRIQ-HYARGMPZSA-N	512.971	4.289	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C(=O)O)ccc4C)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	409000931	ZBTBGJCPJILSOC-BIWBSIMWSA-N	571.655	4.131	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1	409060077	SHIPFCVXOVUUAX-OCEWKHMESA-N	596.547	4.478	10	40	KICB	
Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2Cl)cc1	409270870	RRVNWIAEJBSGFN-MOSHPQCFSA-N	505.983	4.497	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1ccccc1	409374134	YWFYADLLHIDSQN-VCHYOVAHSA-N	511.328	4.292	10	40	KICB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3c(C)n(CC(=O)Nc4ccc(C)cc4)c4ccccc34)C2=O)o1	409398070	BSTOASOTLMMQDX-UCQKPKSFSA-N	526.549	4.369	10	40	KICB	
CN(C)c1ccc(/C=C2/SC(N3CCN(C4=NC(=O)/C(=C\c5ccc(N(C)C)cc5)S4)CC3)=NC2=O)cc1	6392479	BWWSJUPWIOCNKX-GJHDBBOXSA-N	546.722	4.077	10	40	KICB	
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)c3cc(C)ccc32)S1	8426470	XQIRMUWTPKIZME-HZPDHXFCSA-N	614.767	4.372	10	40	KICB	
COc1ccc(N2CCN(C(=O)c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3Cl)CC2)cc1	20458075	QNYMBGIXXVMFOH-UHFFFAOYSA-N	500.020	4.420	10	40	KICB	
O=C(O)CCC(=O)NCCc1c(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=S)N=C2O)[nH]c2ccccc12	97969464	YJFBYPHXXSUUJU-AQTBWJFISA-N	524.986	4.016	10	40	KICB	
COc1cc(/C=C2\SC(=S)NC2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408528312	DOTMREUTGJOAFC-NSIKDUERSA-N	559.319	4.397	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OCC	408766956	XTFZBNWQRPUNAS-YBEGLDIGSA-N	505.390	4.086	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)c(OC)c3)C2=O)cc1	408807552	DCJBPROYAYYJEX-HZHRSRAPSA-N	514.534	4.426	10	40	KICB	
COc1ccccc1NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1	409379620	YQVSTPXXIWWPGY-DEDYPNTBSA-N	519.941	4.341	10	40	KICB	
O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Br)c(N2CCOCC2)o1	693779	QEPKYEHQVBQYAG-DHZHZOJOSA-N	531.215	4.017	10	40	KICB	
CC1(C)[C@@H]([N+](=O)[O-])[C@@H](c2cc(Br)ccc2O)N[C@H](c2cc(Br)ccc2O)[C@@H]1[N+](=O)[O-]	6232736	LGUYRGFXQNABSG-BDXSIMOUSA-N	545.184	4.325	10	40	KICB	
Cc1ccc(CN2C(=O)/C(=C/c3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)nc4ccccn4c3=O)SC2=S)cc1	97946173	ODBIDOAZIVVCSN-PKAZHMFMSA-N	611.749	4.455	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408692299	JHGDQUFTHHUFRA-VCHYOVAHSA-N	544.358	4.349	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OCc1ccccc1	408808327	FOODNBZTTYTFPK-PXLXIMEGSA-N	500.507	4.117	10	40	KICB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCC)C2=O)cc1OC	409136413	ULLNWNSXZQDTPY-QGOAFFKASA-N	517.376	4.307	10	40	KICB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1	409227282	XTFIGBOPAUVXCE-KGENOOAVSA-N	534.366	4.441	10	40	KICB	
CCOc1c(I)cc(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc1OC	409343013	FSGNAISBZUYFOQ-GZTJUZNOSA-N	570.430	4.253	10	40	KICB	
CCOc1ccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1	100084416	QNUKBIAOGXJEGV-UHFFFAOYSA-N	555.722	4.156	10	40	KICB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)cc1NS(C)(=O)=O	225474402	JQOHSRKVBPLEMH-CLJLJLNGSA-N	548.694	4.441	10	40	KICB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c(OCc2cc(C)cc(C)c2)c1	408878338	AQCNMYPXWUWYJX-FSJBWODESA-N	501.495	4.466	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCC(=O)Nc4cccc(C)c4)c(OC)c3)C2=O)cc1	409039710	DBHCYBROWSQPQA-CIAFOILYSA-N	641.418	4.301	10	40	KICB	
CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1	409087577	BXKDHPCXPIQDJR-LICLKQGHSA-N	606.847	4.217	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1C	409265914	WUXZPDZLJBXPCM-YBFXNURJSA-N	537.931	4.480	10	40	KICB	
COc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc2)cc1	409381023	QVEFUJYGVPDOMJ-LPYMAVHISA-N	505.914	4.033	10	40	KICB	
CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)CC1	97947682	OLBPYDNZHMESHY-KQWNVCNZSA-N	562.717	4.492	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	163724327	KBBSDWATBODXJG-YVBHXKDBSA-N	659.677	4.482	10	40	KICB	
Cc1cccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)ccc3OC(=O)c3ccc4c(c3)OCO4)C2=O)c1	408533559	KBGOMVKOOOWDIA-ODLFYWEKSA-N	549.333	4.372	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(C)c4)c(OC)c3)C2=O)cc1	408805770	LLGRVVUOEOECGJ-HZHRSRAPSA-N	514.534	4.426	10	40	KICB	
COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(N5CCCC5)cc4)c(=O)n32)c1	409058401	NAYMFHYZKZLNGC-HSUOJCLFSA-N	550.684	4.483	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1	409261749	DFQPZWGJUAUBEH-UCQKPKSFSA-N	529.549	4.092	10	40	KICB	
COc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1	409380160	JIYPLDDIOCNERF-MTJSOVHGSA-N	595.362	4.050	10	40	KICB	
Cc1ccccc1[C@@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccccc3Br)C(=O)[C@H]12	13512591	FAFWLOVVHCVDRI-FKBYEOEOSA-N	516.347	4.453	10	40	KICB	
COc1ccc([C@H](c2cc3c(cc2O)OCO3)N2CCN([C@H](c3ccc(OC)c(O)c3)c3cc4c(cc3O)OCO4)CC2)cc1O	22859562	QHCLJUXCDWUFBM-KKLWWLSJSA-N	630.650	4.480	10	40	KICB	
Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2[C@H](c3ccccc3O)N2C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1	33354931	JBKRFBGYALAVAK-OELLZHLFSA-N	631.623	4.005	10	40	KICB	
COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1OC	97962153	QWRRGZVQKZHORJ-HZHRSRAPSA-N	549.630	4.268	10	40	KICB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OCc1ccccc1Cl	101393972	QEMLGRQCPDXSHC-CPIBVZOHSA-N	539.422	4.202	10	40	KICB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(OC)c(OC)cc3Br)C2=O)cc1OCC	409212155	NKEKCEUEYBPTFN-MHWRWJLKSA-N	533.375	4.320	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)ccc3OCC(=O)Nc3ccccc3C)C2=O)cc1	409264814	QSIBEPVBYRBNKL-STZFKDTASA-N	547.951	4.119	10	40	KICB	
O=C(NC1CCCCC1)[C@@H](c1ccc(N2CCOCC2)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCO2	902115	XOAUZCIIPDRPFL-JGCGQSQUSA-N	596.688	4.220	10	40	KICB	
CC[C@@H](C)N1C(=O)/C(=C/c2c(N3CCN(Cc4ccccc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	100763625	PKINDBXGYDXYSB-AOMYKUFJSA-N	533.723	4.325	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)ccc1OC(=O)/C=C/c1ccc(OC)cc1	102678092	BSFNKMDLAOQRDI-AKYWKWFPSA-N	559.687	4.101	10	40	KICB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)cc(I)c3O)C2=O)cc1C	408857772	MOGNJVLUDUUAQI-AUWJEWJLSA-N	541.139	4.043	10	40	KICB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC	409087605	JAPPBVYHPPAABQ-RBRLEXCSSA-N	589.718	4.011	10	40	KICB	
CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc(I)c1OC	409328516	WWZRYTLXDVVSJC-NTEUORMPSA-N	546.433	4.306	10	40	KICB	
Cc1cc(C(=O)CSc2nc3cc(S(=O)(=O)N(C)C)ccc3o2)c(C)n1-c1ccc2c(c1)OCO2	3433625	IFMMDIQLSVNLTE-UHFFFAOYSA-N	513.597	4.189	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	6354150	JUNHKXWZWRSOPJ-GVMLUORFSA-N	592.073	4.476	10	40	KICB	
O=C1[C@H]2[C@@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@H](c1ccc(Br)cc1)OC21C(=O)c2ccccc2C1=O	18067608	LFOATGZJQMODDA-NJYVYQBISA-N	547.317	4.052	10	40	KICB	
CC[C@H](C)c1ccccc1OCCOc1ccc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1	101394176	XFYJHDQYOWKWID-JKSGLJIBSA-N	526.640	4.279	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3cccc([N+](=O)[O-])c3)C2=O)cc1	408801630	VASMJLIZZSDOMB-PXLXIMEGSA-N	515.478	4.017	10	40	KICB	
Cc1nnc(Sc2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(C)c4)C3=O)cc2[N+](=O)[O-])s1	408992834	SZZBUDFSDILOSR-CXUHLZMHSA-N	511.610	4.354	10	40	KICB	
COc1c(I)cc(I)cc1/C=C1/SC(=S)N(NC(=O)c2ccccc2)C1=O	409180117	PIAZJRLZHUNOPZ-RIYZIHGNSA-N	622.247	4.451	10	40	KICB	
CCOC(=O)COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OC	409207768	ZRJFOQPKRJBNJQ-ODLFYWEKSA-N	521.016	4.145	10	40	KICB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1	409220397	YSGNZPACZKNRSA-FYJGNVAPSA-N	550.365	4.147	10	40	KICB	
Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2Cl)cc1	409223613	IWSOOICGACYNQO-RGVLZGJSSA-N	534.912	4.241	10	40	KICB	
COC(=O)Nc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)Nc4ccc(C)cc4)C3=O)c2C)cc1	9846163	ADTRGXICHSXVRC-OEAKJJBVSA-N	501.543	4.112	10	40	KICB	
CC(C)(C)c1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)cc1	97964382	AKVMMHXFLWESAQ-WLDZVJDWSA-N	526.640	4.063	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1	109350819	HWAVVLJXHPLQHG-ASZNLBCTSA-N	563.720	4.440	10	40	KICB	
O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCOCC2)cc1	113624446	FIPJKQHHYXQOKL-UHFFFAOYSA-N	534.465	4.342	10	40	KICB	
O=C(NCc1ccc(N2CCCCC2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1	140370876	KKYFZYNVCNYOLG-UHFFFAOYSA-N	534.520	4.298	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	409018578	MZQOGCULRFIVDU-XGLKJEJJSA-N	583.758	4.338	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)cc3C)c(=O)n2[C@H]1c1cc(Cl)ccc1OC	409075722	ZOHBDWMHCOSPJH-RISWYLRJSA-N	552.096	4.369	10	40	KICB	
CCOC(=O)Cn1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c2cc(Br)ccc21	409135329	YJWJVMYDOYUPNV-OADJVDCOSA-N	509.447	4.347	10	40	KICB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccccc4)c(OC)c3)C2=O)cc1OCC	409188326	GPTXUIAFXSZIDJ-XQNSMLJCSA-N	594.642	4.312	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(Br)cc1O	409239809	FGYCZLAZJROAQU-AWNIVKPZSA-N	515.307	4.404	10	40	KICB	
Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCC(C)C)c2ccc(N(C)C)cc2)cc1Cl	6280489	DNLAGDWFKNRIPI-QHCPKHFHSA-N	557.120	4.402	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(C(=O)O)cc1	100201158	VDLPJLHEBCLWGU-NDENLUEZSA-N	522.966	4.457	10	40	KICB	
COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1CN1C(=O)c2ccccc2C1=O	101000173	GZBVZNPBRVBKJR-IWIPYMOSSA-N	539.613	4.446	10	40	KICB	
O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccccc1OC(=O)c1ccc2c(c1)OCO2	408532650	ISSZZWRAFXXPAJ-ZDLGFXPLSA-N	524.407	4.320	10	40	KICB	
O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1cc(C(F)(F)F)ccc1Cl	408690205	UFXYKFAZLFHFNU-WFXMLNOXSA-N	534.918	4.403	10	40	KICB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c(OCc2ccc(Br)cc2)c1	408802942	JJSMMAVUGCTWGK-CIAFOILYSA-N	523.339	4.409	10	40	KICB	
COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1I	408855959	GSKPQJGPFMAZEJ-VGOFMYFVSA-N	555.166	4.346	10	40	KICB	
COC(=O)COc1cc(Br)c(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC	409345289	LEOJXBSBMBPIQZ-IDUWFGFVSA-N	539.385	4.324	10	40	KICB	
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1OCc1ccc(C)cc1	59139826	XBGDLIYMDVXETJ-UHFFFAOYSA-N	503.418	4.334	10	40	KICB	
CCOC(=O)COc1ccc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)cc1OCC	59198219	HXPJYAQHEGZEMC-GZTJUZNOSA-N	517.332	4.296	10	40	KICB	
COC(=O)C[C@H](c1c[nH]nc1-c1ccccc1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	97971930	QKJCPHUDRODPTQ-OAHLLOKOSA-N	530.489	4.073	10	40	KICB	biogenic
COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C(=O)NC2=S)c(OC)c1	409069102	CBCLTBHKBUFTJD-GDNBJRDFSA-N	513.915	4.357	10	40	KICB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@@H]1c1ccccc1OC	409095062	BDGVTQYWKRNOLG-PQRKSKNISA-N	598.725	4.218	10	40	KICB	
O=C(COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1)Nc1ccccc1	409268986	CJPUTSWKEPEPPS-KGENOOAVSA-N	520.339	4.133	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1F	409375225	HLKLXQJFVFGZBD-LICLKQGHSA-N	586.345	4.420	10	40	KICB	
COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1	408881991	LFHLFUPDONRLBR-AWNIVKPZSA-N	517.106	4.273	10	40	KICB	
COc1cc(N2CCCCC2)ccc1CN1CCC2(CCCCNC(=O)c3ccccc3OCCNC2=O)CC1	643565293	BMPYSCPASJRVRX-UHFFFAOYSA-N	548.728	4.377	10	40	KICB	
CCCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1OCC	2086134	RMHLKOKKEOHJFB-BOPFTXTBSA-N	503.349	4.312	10	40	KICB	
COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1OCc1ccccc1Cl	59139235	LQNNIBVVVIQVMZ-UHFFFAOYSA-N	509.809	4.289	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])C2=O)cc1	408742408	WKJJCTMNWFXNSS-FYJGNVAPSA-N	517.494	4.248	10	40	KICB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3ccc(N4CCOCC4)cc3)c2=O)=N1	409058219	JJTBZJOQKRBDCN-QVOHLBINSA-N	571.102	4.364	10	40	KICB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OC)c(OC)c3)C2=O)cc1OCC	409187904	CSQVYGKUIVHFBV-LICLKQGHSA-N	594.402	4.158	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4Br)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	100416814	ZASFDPRXZLMBFX-RJGXRXQPSA-N	574.383	4.321	10	40	KICB	
C[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3nnc(NC(=O)c4ccc(Cl)cc4)s3)cc2)C1	225664445	WBHYNERPBNOWHV-OAHLLOKOSA-N	506.053	4.159	10	40	KICB	
O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1cccc(Cl)c1Cl	408688897	RHMJXRZDXMGAJL-ZWOKBUDYSA-N	501.366	4.038	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1	408903585	TVBUHDIQUHNFCN-DEDYPNTBSA-N	550.365	4.142	10	40	KICB	
CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCC(=O)O	409142899	FBMAPEGXENPCDR-VCHYOVAHSA-N	506.989	4.057	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1	409269419	JDKAWDUBCICBLV-BUVRLJJBSA-N	543.576	4.395	10	40	KICB	
COCCN1C(=O)/C(=C/c2c(N3CCC(Cc4ccccc4)CC3)nc3c(C)cccn3c2=O)SC1=S	100785268	SHIPBLPLIYDXLW-NKFKGCMQSA-N	534.707	4.310	10	40	KICB	
CCOC(=O)C1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)CC1	100860993	KJOXIYZURZFVCA-JWGURIENSA-N	548.690	4.184	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408797854	HCYMXCXJQCCPOO-VXLYETTFSA-N	615.336	4.159	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1OS(=O)(=O)c1ccc(Cl)cc1	409075063	STTVWPHDGBWQIP-SFQUDFHCSA-N	547.372	4.436	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	409373310	GWJNTYFNMNMOHM-RGVLZGJSSA-N	582.407	4.429	10	40	KICB	
COc1ccc(/C=C2\C(=O)N(C3CCCCC3)C(=S)N=C2O)cc1CN1C(=O)c2ccccc2C1=O	13765689	ATKPZFQENHQRQQ-STZFKDTASA-N	503.580	4.291	10	40	KICB	
CCOc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1O[C@H](C)c1ccccc1	41083986	OUECNPFFKXDSID-ZQVYDNMNSA-N	512.613	4.237	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(Br)cc1	100870547	LKINQJURZGRHJE-FVIVVMBBSA-N	554.510	4.407	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N([C@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)cc(I)c1O	104853796	ZZKCQGWFCSDDAB-BEQICNHGSA-N	550.393	4.072	10	40	KICB	
COc1cc(N2N=C(C)/C(=C/Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)C2=O)ccc1Cl	408534701	WLWFOQDVTOKPIU-MOSHPQCFSA-N	527.006	4.275	10	40	KICB	
Cc1cc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(O)c(I)c3)C2=O)ccc1Br	408754230	JGMBISRFSPNTKC-VZUCSPMQSA-N	653.008	4.339	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc([N+](=O)[O-])c1O	408854782	BDSQIXDUEDUVBM-CIAFOILYSA-N	517.494	4.253	10	40	KICB	
O=C1NC(=O)C(=Cc2cc(Br)cc(Br)c2OCc2ccccc2Cl)C(=O)N1	409059684	WUKCHXQUCCORAD-UHFFFAOYSA-N	514.557	4.193	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1	409085928	TZTCMQFOTDZQSP-RISWYLRJSA-N	641.544	4.468	10	40	KICB	
COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1COc1ccc(NC(C)=O)cc1	2277173	VEWDSCCFHHFZMY-UCQKPKSFSA-N	519.554	4.203	10	40	KICB	
COc1ccc(N2CCN([C@H](c3cc4cccc(C)c4[nH]c3=O)c3nnnn3C3CCCCC3)CC2)cc1	19826311	ZNVGQEIKVRMFOC-HHHXNRCGSA-N	513.646	4.248	10	40	KICB	
COc1ccc(/C=C2/C(=O)NC(=O)N(CCc3ccc(F)cc3)C2=O)cc1COc1ccc(NC(C)=O)cc1	100292582	QIXRLGZQLKNCBA-XYGWBWBKSA-N	531.540	4.076	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OCC)cc4)c3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	408725364	HNVRITDVABORBO-RAWKODRKSA-N	612.752	4.449	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OS(=O)(=O)c1ccccc1	409068017	GXCUSECSTUGYOL-DEDYPNTBSA-N	540.981	4.481	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC(=O)Nc4ccccc4C)c(OC)c3)C2=O)cc1	409257168	RINSOBAQEVFYJH-UDWIEESQSA-N	594.418	4.459	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCCOc4ccccc4)c(OC)c3)C2=O)cc1	2948417	KXACPVRKLNSYIH-KGENOOAVSA-N	522.941	4.481	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)O)cc4C)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	408996111	ODDQDZLLSJBPHQ-ZGOFBEGVSA-N	571.655	4.131	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1OCC(=O)Nc1ccccc1	409039320	CMPFPWZSSFVAOQ-QGOAFFKASA-N	505.914	4.033	10	40	KICB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OS(=O)(=O)c1ccc(Cl)cc1	409065928	OBWCZRYGJPVIJE-CPNJWEJPSA-N	517.346	4.428	10	40	KICB	
CC[C@@H](C)N1C(=O)/C(=C/c2c(N3CCN(c4ccc(F)cc4)CC3)nc3c(C)cccn3c2=O)SC1=S	2254266	SLLRVAWQRYIOLL-ZSYKKXJESA-N	537.686	4.468	10	40	KICB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1	8430056	BQFGMSOEVZXLQY-MOSHPQCFSA-N	531.377	4.373	10	40	KICB	
COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)NCCOc2ccccc2OC)cc1	20288882	RNIYAOUHBXTXJT-BWAHOGKJSA-N	502.527	4.306	10	40	KICB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1cc(Cl)ccc1O	223133300	USQNLASGNNASKB-LOSJGSFVSA-N	512.079	4.153	10	40	KICB	
CCC(=O)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1=O	408527803	ACNFHCBEOVJOJT-MMRARIGHSA-N	540.208	4.177	10	40	KICB	
COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1	408777216	WMBZIDUPNUDGNN-RUAJRXAUSA-N	510.974	4.209	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OCC(=O)Nc4cccc(C)c4C)c3)C2=O)cc1	409259846	GMHAUKOKKOLZEU-LFVJCYFKSA-N	513.550	4.386	10	40	KICB	
COc1ccc(NC(=O)COc2cccc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2)cc1	409372528	ZODSLZGUQDWXHW-HYARGMPZSA-N	550.365	4.142	10	40	KICB	
Cc1onc(C(C)C)c1C(=O)N1CCOc2ccc(N3CCOCC3)cc2Cc2cccc(c2)C(=O)N(C)CC1	643568270	VEHOSARDGKABCQ-UHFFFAOYSA-N	546.668	4.141	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	8438697	KCILNLBFPVUBFR-ASZNLBCTSA-N	579.719	4.060	10	40	KICB	
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1OCc1cccc(F)c1	59139821	BDNVWLVXGYZZBH-UHFFFAOYSA-N	507.381	4.165	10	40	KICB	
COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cccc(I)c3)C2=O)cc1OC	101005359	IQJGOOHWASBXID-MFOYZWKCSA-N	540.404	4.148	10	40	KICB	
CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc1Br	408778271	CRXMVETUIMOSHV-KPKJPENVSA-N	509.740	4.185	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408881386	MXAORFWUTPHMLQ-FYJGNVAPSA-N	662.458	4.441	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(Br)c(Cl)c1O	408901784	CDVHCTBTVDPVIM-IZZDOVSWSA-N	530.556	4.246	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	408955973	VKBFUBPGXRSTKF-DJKKODMXSA-N	626.391	4.400	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409078233	HOBISUXJVUBOQQ-LZYBPNLTSA-N	646.306	4.281	10	40	KICB	
CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1Br	409188943	KZTNPBYOPPRMMS-HMHNVIDESA-N	503.374	4.156	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1	409222382	CPYRFKREUPVRSR-FYJGNVAPSA-N	535.940	4.041	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@H]1c1ccc(OCC)cc1	8438305	JGICRTNOGMLNKF-NNAGEYCMSA-N	599.709	4.391	10	40	KICB	
CCC(C)(C)n1nnnc1[C@@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CCN(c2ccc(OC)cc2)CC1	20079631	MEPOJTAJIUIZOL-AREMUKBSSA-N	515.662	4.197	10	40	KICB	
CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCc4c(Cl)cccc4Cl)cc3)C(=O)N=C2S1	41077790	KRUQXUUHNUSHMW-MTLBIAMWSA-N	509.396	4.194	10	40	KICB	
COc1cc(/C=C2\SC(=S)NC2=O)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	408527624	BBJMFQRTBDNBNB-ZSOIEALJSA-N	520.835	4.368	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)ccc3OC(=O)c3cc(OC)c(OC)c(OC)c3)C2=O)cc1	408528522	BMIIAVIIANUHCV-NDENLUEZSA-N	611.401	4.369	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C	408820915	AKOHAITVSXAQQS-NTWBUQQASA-N	533.694	4.432	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(CNC(=O)C(=O)Nc4ccc(C)c(C)c4)o3)C(C(=O)OC)=C2C)cc1	408866835	JIYSPXHSDVOKCU-WGOQTCKBSA-N	585.613	4.205	10	40	KICB	
COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1	409020002	LKYSFRDKXIVIFT-BUVRLJJBSA-N	513.550	4.029	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409022014	BYPYCHAKWPDLNE-PLMBTIQCSA-N	629.735	4.318	10	40	KICB	
CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(Br)c2)S1	409086888	XGDPQQZLAMLCKS-CXUHLZMHSA-N	574.272	4.394	10	40	KICB	
O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Br)Nc1ccc(Cl)cc1	409225434	PRSYSTYKANOBHM-YBFXNURJSA-N	570.783	4.492	10	40	KICB	
CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O	27530486	RNEBIYAUIQQBBI-LBNBPBRMSA-N	504.637	4.271	10	40	KICB	
CC(=O)Nc1cc(/N=N\c2cc(/N=N/c3cc(NC(C)=O)cc(S(=O)(=O)O)c3)c(N)cc2N)cc(S(=O)(=O)O)c1	68563398	WNLRSKGBJFLFCB-JOKXDOCYSA-N	590.600	4.092	10	40	KICB	
COc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)Nc4cccc(Cl)c4)cc3)C(=O)NC2=S)cc1	408760393	XWYIEIKKMFPFKS-XKZIYDEJSA-N	521.982	4.197	10	40	KICB	
COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1	408774765	XHPKLDQGDKXUNV-ZWXNIRCYSA-N	511.578	4.211	10	40	KICB	
COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1	409014876	QMZJSDPKWHTASE-BUVRLJJBSA-N	513.550	4.029	10	40	KICB	
COc1ccc([C@@H](c2cc3c(cc2O)OCO3)N2CCN([C@@H](c3ccc(OC)c(O)c3)c3cc4c(cc3O)OCO4)CC2)cc1O	22859560	QHCLJUXCDWUFBM-HEVIKAOCSA-N	630.650	4.480	10	40	KICB	
Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C\c3cc(I)c(O)c([N+](=O)[O-])c3)C2=O)c1	27520652	JSQHXANWOUYTHT-AWNIVKPZSA-N	507.240	4.029	10	40	KICB	
O=C(C[C@@H]1SC(=O)NC1=O)Oc1ccc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc1	28294947	AIIMCGSQNUUMRD-MXHVWWQHSA-N	500.326	4.078	10	40	KICB	
COc1ccc(/C=C2\C(=O)NC(=S)N(CCC3=CCCCC3)C2=O)cc1CN1C(=O)c2ccccc2C1=O	100291887	GMDMTWPZZBTDFJ-XQNSMLJCSA-N	529.618	4.009	10	40	KICB	
Cc1cccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)cc2)c1	101125521	URLMXWGNFLEICH-DZMCVATHSA-N	531.638	4.475	10	40	KICB	
COc1cc(CNC(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)ccc1OCc1cccnc1	102798568	LNUCYOXZPISFFJ-UHFFFAOYSA-N	564.576	4.014	10	40	KICB	
COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)N[C@H](C)c4ccccc4)cc3Cl)CC2)cc1	108900883	GKHCDMOUGXRRNF-HXUWFJFHSA-N	544.073	4.116	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(Br)c(Br)c1O	409011197	MTLMAWGCUHWFIQ-NTUHNPAUSA-N	540.233	4.374	10	40	KICB	
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(N5CCCC5)cc4C)c(=O)n32)cc1	409062441	UZTBZGXZXKTLMQ-ABBNRAPFSA-N	531.678	4.104	10	40	KICB	
COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4OC)C3=O)c2C)c1	409169246	WCBWZJOVIWPRHH-DEDYPNTBSA-N	503.580	4.029	10	40	KICB	
COc1cc(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1cccc([N+](=O)[O-])c1	409408010	OMPJJARLMKHASW-NDENLUEZSA-N	524.327	4.406	10	40	KICB	
O=C(CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)Nc1ccc([N+](=O)[O-])cc1O	12017070	PFMPHFOYPHRGKW-CXUHLZMHSA-N	508.375	4.293	10	40	KICB	
CC[C@H](C)N1C(=O)/C(=C/c2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC1=S	20083328	PNIMWKQAUDHYEW-WDUNQMNWSA-N	519.696	4.016	10	40	KICB	
Cc1cc(Br)c(N2C(=O)NC(=O)/C(=C/NN3C(=O)c4cccc5c(N6CCCCC6)ccc(c45)C3=O)C2=O)cc1C	100959074	VXSPJHIEOSNFGX-QNGOZBTKSA-N	616.472	4.477	10	40	KICB	
CCOc1ccc(-n2c(C)cc(/C=C3/C(=O)N(CC)c4ccc(S(=O)(=O)N5CCOCC5)cc43)c2C)cc1	101377520	FYQKYEGKRZYUCG-OVVQPSECSA-N	535.666	4.421	10	40	KICB	
O=C(NC(=S)Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	105306579	MCCLPYRJPIJRSA-UHFFFAOYSA-N	524.986	4.443	10	40	KICB	
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1	408539379	WEYVGCOKFTVRRD-UHFFFAOYSA-N	516.550	4.391	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(Cc4ccccc4F)c(OC)c3)C2=O)cc1	408873340	UABFDCPRLWNFHT-RGVLZGJSSA-N	614.367	4.483	10	40	KICB	
COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1	409013758	VEBNBOHYUONTIG-HYARGMPZSA-N	519.941	4.065	10	40	KICB	
O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1	409064102	BQOQKIPEEUUMHU-YBFXNURJSA-N	537.322	4.098	10	40	KICB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(I)c1OCc1ccc2ccccc2c1	409083284	SGUYFVHDTJZMQR-UHFFFAOYSA-N	558.397	4.336	10	40	KICB	
CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cccc(OC)c3OCc3ccc(C(=O)O)cc3)C2=O)c1	409186842	INHGKDFKSUZJQT-HYARGMPZSA-N	516.506	4.038	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C	409258960	WFOWEDRGVVBXDS-JCMHNJIXSA-N	513.550	4.386	10	40	KICB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2cccc(OCC(=O)Nc3ccccc3F)c2)C1=O	409381190	DNVQTMOQNVXISL-XDHOZWIPSA-N	507.905	4.471	10	40	KICB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409407945	OERWLNQJICUABE-ODLFYWEKSA-N	540.345	4.076	10	40	KICB	
CCN(CC)c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(C(C)C)cc2)C(C(=O)OC)=C(C)N=3)cc1	16678490	HFRWSLLNRVDNLK-ASSGYOTOSA-N	503.668	4.378	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	27015510	UPLJYZMLRKLEOP-SYERDGIWSA-N	500.554	4.203	10	40	KICB	
COC(=O)c1c(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)sc(C)c1C	102864802	RYPUVJTXNMPBRA-XPWALMASSA-N	505.596	4.269	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	105499660	MVRNHBSHZFZHEM-LAUBZIAYSA-N	598.681	4.352	10	40	KICB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C2/C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1	408537274	UXEMDJCNZDPHOH-STZFKDTASA-N	551.349	4.352	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1OCc1ccc(C(=O)O)cc1	409063888	ANCCKKNNZRWDKK-LDADJPATSA-N	506.898	4.292	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1Cl	409263603	IGPJRSCURFBZMX-YVLHZVERSA-N	647.809	4.343	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)c(Br)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	105499621	UTNOTNIQEYPYOG-FCKOQQNDSA-N	570.509	4.026	10	40	KICB	
COC(=O)C[C@H](c1cc2ccc(OC)cc2[nH]c1=O)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12	108448187	VCPOBOYQWFUXKM-QGZVFWFLSA-N	529.501	4.122	10	40	KICB	biogenic
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1	408784983	DYWIEWFTTONDAV-LFVJCYFKSA-N	521.042	4.415	10	40	KICB	
CC[C@@H](C)Oc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OC	408951125	LNKDIJOBNKJUIJ-IWTIEGKHSA-N	517.332	4.030	10	40	KICB	
COCCN1C(=O)/C(=C/c2cc(Br)c(OC(C)C)c(OC)c2)C(=O)N(c2ccccc2)C1=O	409013906	OKHZMRJJNNHGDM-PDGQHHTCSA-N	517.376	4.270	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OS(=O)(=O)c1ccccc1	409068743	VBANHBZOLBFKRU-DEDYPNTBSA-N	540.981	4.481	10	40	KICB	
Cc1ccc(NC(=O)COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Cl	409264622	QIYRZKJXCLBRDF-UDWIEESQSA-N	507.905	4.471	10	40	KICB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)o1	1204511	PDZGMSGWKKUDPJ-BOPFTXTBSA-N	512.272	4.292	10	40	KICB	
O=C1/C(=C/c2c(NCCCn3ccnc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1Cl	2351410	DBBNZVZQHYGUEP-ZHZULCJRSA-N	537.070	4.448	10	40	KICB	
CCN1C(=O)N=C(O)/C(=C\c2cc(C)n(-c3ccc(N4CCOCC4)c(Br)c3)c2C)C1=O	5947674	PTVYKZSDJUVMOW-LDADJPATSA-N	501.381	4.015	10	40	KICB	
O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(Br)cc(I)c1O	8441002	MDLOSUCVSDWXSU-XGICHPGQSA-N	608.049	4.353	10	40	KICB	
Cc1cc(C(=O)COC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c(C)n1C[C@@H]1CCCO1	25395892	VYZJDISXDXVKJC-KRWDZBQOSA-N	516.506	4.007	10	40	KICB	
O=C(COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Cl)Nc1ccccc1F	409377048	FOTDOJUBHCONHY-RVDMUPIBSA-N	527.936	4.467	10	40	KICB	
CNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)c1	3298378	WDTAJKYCWSJUBJ-MRXNPFEDSA-N	506.527	4.032	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	6167981	OZTWVXHGXZBYNC-QTTRZTASSA-N	572.643	4.341	10	40	KICB	
O=C(CCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)Nc1ccc(C(=O)O)c(O)c1	8819291	BMKAKJULKPIRRC-SXGWCWSVSA-N	507.387	4.083	10	40	KICB	
CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCCC2)cc1)c1ccc(OCc2ccccc2)cc1	13675871	JRSBHMWZZWBLLV-UHFFFAOYSA-N	507.656	4.338	10	40	KICB	
Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCS(=O)(=O)O)C2=O)cc2c1O[C@@H](C)C2	97947626	XVMCRFJXTZSRQV-JHDSZEHQSA-N	541.676	4.260	10	40	KICB	
COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	100340107	IHQWHWLHRJJLFR-LICLKQGHSA-N	514.566	4.398	10	40	KICB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(C)n(-c5ccc([N+](=O)[O-])cc5)c4C)c(=O)n32)cc1OCC	408932026	AWIBJMZCQLPFPN-MSHBYRINSA-N	602.669	4.131	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	409068447	SQZLXPCNMCIBQK-VCHYOVAHSA-N	636.820	4.453	10	40	KICB	
COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(OC)cc4OC)C3=O)c2C)c1	409105016	HQWCTONDNBSYSY-CIAFOILYSA-N	533.606	4.038	10	40	KICB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)C2=O)cc1OC	409140011	CSYKXKZLAJMLLO-LFVJCYFKSA-N	564.616	4.222	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1OCC(=O)Nc1c(C)cccc1C	409262850	KGLHJIGEWSGXPE-MOSHPQCFSA-N	514.625	4.396	10	40	KICB	
CCS(=O)(=O)c1ccc2oc(SCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)nc2c1	12311458	RYUKPHYIEFXJMN-UHFFFAOYSA-N	506.561	4.128	10	40	KICB	
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)c3cc(C)ccc32)S1	100112461	XQIRMUWTPKIZME-HOTGVXAUSA-N	614.767	4.372	10	40	KICB	
Cc1ccc2nc(NCc3ccc4c(c3)OCO4)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1	100762870	CDOZWOKBJKFWDG-FBHDLOMBSA-N	532.603	4.338	10	40	KICB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Br)ccc2OC(=O)c2ccc3c(c2)OCO3)C1=O	408537795	XIBLTXNDJOJZOV-WQRHYEAKSA-N	549.333	4.372	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(I)c1OCC	408917603	YGDPACQWSZERLX-DHDCSXOGSA-N	540.354	4.059	10	40	KICB	
COc1ccc(CN2C(=O)/C(=C/c3c(N4C[C@H](C)O[C@@H](C)C4)nc4c(C)cccn4c3=O)SC2=S)cc1	100893288	HYCJNHNIBLDQHY-NJSUJEILSA-N	536.679	4.027	10	40	KICB	
CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1	408787302	WVBXEUNCGYHJAJ-IBNIFWCESA-N	525.001	4.281	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	409024438	SMRWYZJREPBLDF-JLHDDXNDSA-N	600.741	4.289	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1	409049550	WJWPWUOQVFXURR-HZHRSRAPSA-N	529.549	4.086	10	40	KICB	
CCOc1c(I)cc(/C=C2/C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc1OC	409235473	QJABZFKBYGQPPT-DHDCSXOGSA-N	536.391	4.147	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccc(C(=O)O)o1	409384471	CNBGYAUMCKLPST-LICLKQGHSA-N	571.405	4.468	10	40	KICB	
COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1CN1C(=O)c2ccccc2C1=O	2246675	GZBVZNPBRVBKJR-BUVRLJJBSA-N	539.613	4.446	10	40	KICB	
COc1ccc(N2CCN([C@@H](c3cc4c(C)cc(C)cc4[nH]c3=O)c3nnnn3C3CCCC3)CC2)cc1	19940933	HOQSNBRDFSEUKJ-MHZLTWQESA-N	513.646	4.167	10	40	KICB	
CCC(CC)C1=NN2C(=N)/C(=C/c3ccc(OCc4cc(=O)n5nc(C)sc5n4)cc3)C(=O)N=C2S1	41108506	RVRPTDOPIBIQOW-PPVBMKLASA-N	521.628	4.094	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)OCC)c4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	59247798	YAXRESCDCVWZOM-FHMSYZJOSA-N	585.682	4.301	10	40	KICB	
COc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)C2=O)cc1	100999777	ZRJWORMANTYFRR-PXLXIMEGSA-N	583.717	4.133	10	40	KICB	
CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1	102993455	MAGNIAXBDMIADW-TYSUYXETSA-N	555.703	4.173	10	40	KICB	
COc1ccc(CN2C(=O)[C@]3(SC2=S)[C@@H](c2ccncc2)CN(C)[C@@]32C(=O)N(C)c3ccc(Cl)cc32)cc1	106021728	PIAGVSRZVXHIRF-KKVCJECGSA-N	565.120	4.444	10	40	KICB	
COc1cc([C@@H](c2cc3c(cc2O)OCO3)N2CCN([C@H](c3cc(OC)c(O)c(OC)c3)c3cc4c(cc3O)OCO4)CC2)cc(OC)c1O	150404992	OZYXVEASERDBAI-AQOUDTPCSA-N	690.702	4.497	10	40	KICB	
C[C@H]1CCCN(c2ccc(CNS(=O)(=O)c3nnc(NC(=O)c4ccccc4Cl)s3)cc2)C1	223914000	ZYNAGFOOGPSIBK-HNNXBMFYSA-N	506.053	4.159	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1	408948439	GEHXWIINBCVPDC-DJKKODMXSA-N	655.401	4.021	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1	409085924	TZTCMQFOTDZQSP-LMSRTUJASA-N	641.544	4.468	10	40	KICB	
O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409089817	KGTVMWZFOBKSTM-LICLKQGHSA-N	524.829	4.321	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	100618800	LLGMWSAJYZKZLM-NFYDWNOTSA-N	628.545	4.144	10	40	KICB	
O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)NCCc3ccccc3)C2=O)SC1=S)NCCc1ccccc1	150413888	NSVWRCBWHHBFIW-OCEACIFDSA-N	640.878	4.197	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1	408804551	AUBWXNUZCHJIOM-OEAKJJBVSA-N	545.504	4.026	10	40	KICB	
COc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccc(C)cc4)c4ccccc34)C(=O)NC2=S)cc1	409012728	ROUJSSJHSVXSIX-BUVRLJJBSA-N	524.602	4.428	10	40	KICB	
CC[C@@H](C)Oc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc1OC	409167488	MQSAGFDDWSWRTO-QQFZQELXSA-N	519.417	4.475	10	40	KICB	
COc1cccc(N2C(=O)[C@H]3[C@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1	1214628	SAALXIDWVMYEHA-FSSWDIPSSA-N	532.346	4.153	10	40	KICB	
CCc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC1CCCCC1)c1ccc(N(C)C)cc1	6135412	KFFIDPHJMCVFMO-VWLOTQADSA-N	548.713	4.290	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1cccc(C(=O)O)c1	59248671	BLGPUSBKLKUTRK-LPYMAVHISA-N	500.507	4.256	10	40	KICB	
COCCCN1C(=O)/C(=C/c2c(N3CCC(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC1=S	100762106	VBUHKZBQJGODPV-NMWGTECJSA-N	534.707	4.391	10	40	KICB	
Cc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c(Br)c1	102579560	UUGBDJJZXFXZHN-BHIFYINESA-N	516.347	4.453	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3c(OS(=O)(=O)c4ccc(C)cc4)ccc4ccccc34)C2=O)cc1	408878927	DDSTVRJLTMETBL-KOEQRZSOSA-N	570.579	4.369	10	40	KICB	
CCc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3OCC(=O)Nc3ccc(F)cc3)C(=O)NC2=S)cc1	409381567	GUXRWVONYUGHPU-PXLXIMEGSA-N	533.581	4.246	10	40	KICB	
Cc1cccc(NC(=O)COc2ccccc2/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)N=C2O)c1	33455818	MZQFDZLHWZNDRX-STZFKDTASA-N	500.467	4.427	10	40	KICB	
COc1cccc(/C=C2\SC(=S)N(CCCC(=O)NCCc3ccc(OC)c(OC)c3)C2=O)c1	54360649	LSMQRUYEHLIUAM-JWGURIENSA-N	500.642	4.053	10	40	KICB	
CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)CC1	97947708	LYYNDXJQTXRAFL-YQPBSLOJSA-N	563.705	4.244	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	408888189	SYGUPXABGQKTTJ-UDWIEESQSA-N	540.981	4.400	10	40	KICB	
COc1ccc(NC(=O)COc2c(I)cc(/C=C3\SC(=S)N(C)C3=O)cc2OC)cc1	409240372	GWTVYBRMWNVHMB-YVLHZVERSA-N	570.430	4.157	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409264424	LHMOTFLBKTZCCV-NDENLUEZSA-N	519.941	4.341	10	40	KICB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccc(OC)cc3)C2=O)cc1OC	409382444	MXHBECISROZXGU-KQWNVCNZSA-N	559.575	4.177	10	40	KICB	
C/C=C/C(=O)N1c2ccc(OC)cc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C	6014674	VHYIRJKTAOFMQU-BQYQJAHWSA-N	505.639	4.473	10	40	KICB	
COc1ccc(N2CCN(CN3C(=O)[C@]4(OCC[C@@H](Oc5ccc(Cl)cc5)O4)c4ccccc43)CC2)cc1	104161822	JNVVQAJVXLWWKP-YTMVLYRLSA-N	536.028	4.470	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1	408693913	BHQDBVFXNHSDHS-XDHOZWIPSA-N	556.413	4.270	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1Cc1ccccc1F	408873995	YJDJRCWEJIZPAL-HYARGMPZSA-N	502.498	4.268	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)cc4)c(Cl)c3)C2=O)cc1	408881690	LSPNHZXJJXLISC-DEDYPNTBSA-N	526.954	4.091	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCc1cccc(C(=O)O)c1	408951054	KUHKXXIHASLFLP-QGMBQPNBSA-N	550.907	4.021	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccccc1	409067271	CFKHOTCHXOSVNA-XDHOZWIPSA-N	589.395	4.421	10	40	KICB	
COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1OCc1ccc(C(=O)O)cc1	409186614	FOAMFXJRGFGFEL-HYARGMPZSA-N	500.507	4.256	10	40	KICB	
COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4OC)c(OC)c3)SC2=S)cc1	409333780	VVTKXQVPHPSVBW-IWIPYMOSSA-N	579.656	4.276	10	40	KICB	
COc1ccccc1NC(=O)COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c1	409375617	NBNODVSRHAPNNU-DEDYPNTBSA-N	505.914	4.033	10	40	KICB	
Cc1cc(C(=O)[C@H](C)OC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c(C)n1-c1ccc(Cl)cc1	3433393	WPNCQEYWWVKDOE-HNNXBMFYSA-N	504.948	4.487	10	40	KICB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)c(COc4ccc(NC(C)=O)cc4)c3)C2=O)cc1	9109926	GEQIABABJRUIKF-PCLIKHOPSA-N	513.550	4.461	10	40	KICB	
Cc1cccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]23)c1	18249417	CEAJVYIEGZCGCK-FDFHNCONSA-N	516.347	4.453	10	40	KICB	
CCn1c(/C=C2\C(=O)N(C)c3ccc(Br)cc32)nc2ccc(I)cc2c1=O	100023057	ZKTHJVTUQATKCS-UVTDQMKNSA-N	536.167	4.301	10	40	KICB	
CCCCN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4F)CC3)nc3c(C)cccn3c2=O)SC1=S	100870081	BFVSNWUDAPAJBU-XLNRJJMWSA-N	537.686	4.470	10	40	KICB	
CC[C@@H](C)c1ccc(OCCOc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)cc1	101393664	OCDRTZGBGNVQEH-XZKFTQLLSA-N	526.640	4.279	10	40	KICB	
Cc1ccc(C)c(OCCOc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)cc2)c1	101396609	BPUSBMCKQQREQA-NKFJNAIASA-N	526.640	4.161	10	40	KICB	
O=C1S/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(I)cc1	106751659	GBUBADCWJBWTQY-UNOMPAQXSA-N	551.362	4.273	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OC	408795273	BUBMUROEJYPWGW-VGOFMYFVSA-N	526.714	4.018	10	40	KICB	
Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1	409058196	SCKAIDYZTLASJZ-CIAFOILYSA-N	579.363	4.350	10	40	KICB	
Cc1cc(NC(=O)CSCC(=O)N(c2ccc(F)cc2)[C@H](C(=O)NC2CCCCC2)c2ccc(O)c(O)c2)no1	8686625	QDJSDTQFLDOIIG-MHZLTWQESA-N	570.643	4.428	10	40	KICB	
Cc1cc(C(=O)COC(=O)CCCCCNS(=O)(=O)c2ccc3c(c2)OCCO3)c(C)n1-c1ccccc1	97982418	AOIYNVLQTNMZHW-UHFFFAOYSA-N	540.638	4.130	10	40	KICB	
COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc1COc1ccc(NC(C)=O)cc1	100292597	HUWAKLCVVJXFOM-JCMHNJIXSA-N	531.590	4.073	10	40	KICB	
Cc1cccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4Br)C(=O)[C@@H]23)c1	100414754	AJNYTLBAQWGHPI-BHIFYINESA-N	516.347	4.453	10	40	KICB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4cc(Cl)ccc4C)C3=O)cc2)cc1	408885715	FIAAHXDHIBTZQB-FYJGNVAPSA-N	510.955	4.391	10	40	KICB	
COc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccccc4)c4ccccc34)C(=O)NC2=S)c(OC)c1	409092859	ZXBYCNUYZUVEFJ-HYARGMPZSA-N	540.601	4.129	10	40	KICB	
O=C(CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)c(F)c2)C1=O)Nc1ccc(Br)cc1	409128807	GWUPOLNFWJYJSM-UNOMPAQXSA-N	520.380	4.100	10	40	KICB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OC)c(OC)c3)C2=O)cc1OCC	409191254	FKMNQZWODJBDBD-LICLKQGHSA-N	547.402	4.316	10	40	KICB	
COc1ccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2OC)cc1	409380144	JEJBNEDSJXRSRZ-NDENLUEZSA-N	552.008	4.206	10	40	KICB	
COc1cc(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)Nc1ccc(Cl)cc1	409403742	BDJNEGYYYUNADU-NDENLUEZSA-N	512.349	4.481	10	40	KICB	
Cc1cc(C(=O)COC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc(Br)cc1	3294388	PESAUFMJGURDIO-INIZCTEOSA-N	509.356	4.267	10	40	KICB	
O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1ccc([N+](=O)[O-])cc1O	9404266	PFMPHFOYPHRGKW-SXGWCWSVSA-N	508.375	4.293	10	40	KICB	
COc1ccc(N2CCN([C@H](c3cc4ccc(C)c(C)c4[nH]c3=O)c3nnnn3CCc3ccccc3)CC2)cc1	100342301	BYDAPSUFXQLENS-SSEXGKCCSA-N	549.679	4.294	10	40	KICB	
O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(I)o1	408949773	CBYWYILNVYQOLT-BJMVGYQFSA-N	537.560	4.131	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(C(=O)O)cc4)c(OC)c3)C2=O)cc1	409071057	IFOAMBNDLIGLOU-RGVLZGJSSA-N	536.924	4.301	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	409073186	XYUQFRWYEFALSL-GIJQJNRQSA-N	636.820	4.453	10	40	KICB	
CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(CCC(=O)O)C3=O)cc2OCC)cc1	409247478	CLAPFYFRJXHTCR-STZFKDTASA-N	530.624	4.177	10	40	KICB	
O=C(NC1CCCCC1)[C@@H](c1ccc(O)c(O)c1)N(C(=O)Cn1nnc2ccccc21)c1ccc(F)cc1	12475749	BNTUOCVTUAZJKC-HHHXNRCGSA-N	517.561	4.205	10	40	KICB	
Cc1cc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2NCCO)c(C)n1-c1ccc(Br)cc1	12532018	JXQJVLLJBJGFCH-UHFFFAOYSA-N	516.348	4.209	10	40	KICB	
CN1C(=O)[C@]2(c3cc(Cl)ccc31)N(C)C[C@@H](c1cccnc1)[C@@]21SC(=S)N(Cc2ccco2)C1=O	102898775	LEIKQNQFTZYFCU-LQGLAIQGSA-N	525.055	4.028	10	40	KICB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NCc1ccc(N2CCC[C@@H](C)C2)cc1	222669771	QICGCHREBXBWSJ-JOCHJYFZSA-N	513.704	4.355	10	40	KICB	
O=C1NC(=O)N(c2ccc(I)cc2)C(=O)/C1=C\c1ccccc1OC(=O)c1ccccc1	408532466	IENMVPCZCVVEFT-RGEXLXHISA-N	538.297	4.177	10	40	KICB	
COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1	408868446	MOPVXFCISOGHOR-DIBXZPPDSA-N	510.590	4.297	10	40	KICB	
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2cccc(C(=O)O)c2)c(Br)c1	408956392	WLVPNSGTWIHHTQ-GIJQJNRQSA-N	565.332	4.121	10	40	KICB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)c(C)n1-c1ccc(C(=O)O)cc1	409269670	LITMYAXRICLEHC-PCLIKHOPSA-N	560.632	4.304	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(OCC(=O)Nc4ccc(F)cc4)c(OC)c3)C2=O)cc1	409364883	RBBKMGQAFCWMKY-JAIQZWGSSA-N	626.391	4.067	10	40	KICB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1	409410132	ZFNXSXMYKKWAEM-ODLFYWEKSA-N	571.327	4.248	10	40	KICB	
COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1	658289	INLQNYYRNJDYAL-XYGWBWBKSA-N	571.051	4.335	10	40	KICB	
CN1C(=O)/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21	8777591	UHYTWPWTCOBPCO-QQXSKIMKSA-N	531.609	4.367	10	40	KICB	
COc1ccc2occ([C@H]3CC(=O)Oc4cc(O)c5c(=O)cc(-c6ccc(O)c(O)c6)oc5c43)c(=O)c2c1	96116054	YPRRJTZRQUHFRY-CQSZACIVSA-N	514.442	4.133	10	40	KICB	biogenic
O=C1NC(=S)NC(=O)C1=Cc1cc(Br)c(OCc2ccccc2Cl)c(Br)c1	408899575	QNXRZAWUOOMYRO-UHFFFAOYSA-N	530.625	4.358	10	40	KICB	
CN1C(=O)/C(=C/c2ccc(OCc3cccc4ccccc34)c(I)c2)C(=O)NC1=S	408917196	OOTKFHGFJXATFR-WOJGMQOQSA-N	528.371	4.280	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	408982995	KGTXXBABNAXFLD-PYCBVSLESA-N	629.735	4.400	10	40	KICB	
COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1	409015407	RXJSFGXUGLPESH-DEDYPNTBSA-N	537.931	4.204	10	40	KICB	
COC(=O)C[C@@H](c1cc(OC)c(OC)cc1OC)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12	96221656	XJXIEABGQBHTMS-INIZCTEOSA-N	522.506	4.298	10	40	KICB	biogenic
COc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCC(=O)O	101090966	JOQLTVVHUHKFOF-OVCLIPMQSA-N	525.358	4.235	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OC(=O)/C=C/c1ccccc1	408528682	BRLJPQKHOVIRFU-RBAGPTNGSA-N	512.518	4.379	10	40	KICB	
COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3Cl)CC2)cc1	408589976	INUBJTOYRRCHAC-UHFFFAOYSA-N	556.084	4.218	10	40	KICB	
COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1	408773258	QFMKWXFGGQDJQN-QBXVKSGMSA-N	555.425	4.000	10	40	KICB	
COC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OC	408854396	DUQAUHPTPIOHLV-IZZDOVSWSA-N	574.236	4.148	10	40	KICB	
COC(=O)COc1c(I)cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1OC	409351661	VJPIPOGBGZYYSW-LZYBPNLTSA-N	559.378	4.397	10	40	KICB	
COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1	8383801	INLQNYYRNJDYAL-PCLIKHOPSA-N	571.051	4.335	10	40	KICB	
O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1cc([N+](=O)[O-])ccc1O	36559448	QAKHQEFGXNJFIB-SXGWCWSVSA-N	508.375	4.293	10	40	KICB	
CCOc1ccccc1N1C(=O)[C@H]2[C@@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O	100415719	SMCXJBKSVYHVDA-XPWALMASSA-N	501.922	4.434	10	40	KICB	
CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccccc3Cl)C2=O)CC1	100878802	NWQKBUGNRYMRBA-QNGOZBTKSA-N	540.114	4.200	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3ccc(Br)cc3)C2=O)cc1	408806611	FVCQABZYTBOMTM-LPYMAVHISA-N	565.376	4.490	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OC	408896481	KYBMNCUQWVJYAL-QPEQYQDCSA-N	571.165	4.046	10	40	KICB	
COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1	409004699	PYIXUUUUTVRSIN-MFKUBSTISA-N	543.576	4.037	10	40	KICB	
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc(OCc2ccc(C(=O)O)cc2)c1	409076202	ZMNSDWRUBZFHFY-BKUYFWCQSA-N	521.323	4.393	10	40	KICB	
COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)c(O)c2)cc1OC	902666	DZCRYYIBLOIKTB-GDLZYMKVSA-N	559.623	4.083	10	40	KICB	
O=C(NC1CCCCC1)[C@@H](c1ccc(O)c(O)c1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21	902689	WFKHOFOZQMGJNJ-MUUNZHRXSA-N	513.598	4.062	10	40	KICB	
COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1	103610498	QYORSYYXBVICDF-HYARGMPZSA-N	533.968	4.374	10	40	KICB	
COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)c2C)cc1	103860292	LBCSYQQDQBZWOR-FYJGNVAPSA-N	538.423	4.475	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc(I)c1OC(C)C	409171835	BORCSPUETLHMOT-XNTDXEJSSA-N	566.417	4.317	10	40	KICB	
O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)C1=O)Nc1ccc2c(c1)OCCO2	409198409	FUIQLYJMHZYFSR-CIAFOILYSA-N	506.492	4.091	10	40	KICB	
O=C(O)CCN1C(=O)/C(=C/c2cccc(OCC(=O)Nc3ccc(Br)cc3)c2)SC1=S	409259614	BJQBIRVHZUTTLP-BOPFTXTBSA-N	521.414	4.143	10	40	KICB	
CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1I	103860034	PWQMRZNSZZVVKT-RIYZIHGNSA-N	541.139	4.119	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1	408851352	BUFKZLPWHJHPGK-BIWBSIMWSA-N	549.693	4.137	10	40	KICB	
Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2)cc1Cl	409249376	HOINCHOJTBNRLA-MTJSOVHGSA-N	534.912	4.241	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1	409350648	YINRHGDTUGNUMD-JAIQZWGSSA-N	570.630	4.229	10	40	KICB	
COc1cc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)ccc1OCc1ccccc1Cl	33337620	YMCBMNDYUSEEAW-BKUYFWCQSA-N	511.987	4.381	10	40	KICB	
CCN1/C(=c2/s/c(=C3/C(=O)N(c4ccccc4)N=C3C)n(-c3ccccc3)c2=O)C=Cc2cc(C)ccc21	100501668	HQMQGBLDHYRIIX-YVVCIRRYSA-N	518.642	4.442	10	40	KICB	
O=C1NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C(=O)/C1=C\c1cc(Br)ccc1OC(=O)c1ccccc1	408533711	KOALLLRUWRJCDQ-RTNSUPHESA-N	509.356	4.319	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccccc4)c(OC)c3)C2=O)cc1	408799869	IUOOUANPCZGNMA-UDWIEESQSA-N	565.376	4.490	10	40	KICB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)c(OC)c(I)c3)C2=O)cc1	408984584	SAEUMSRZSJEYIH-ZSOIEALJSA-N	602.166	4.133	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br	409055704	AMCRLIJNZIPWCZ-LXYLXTGBSA-N	626.573	4.487	10	40	KICB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1	409398861	FCTDLLJCMHLIRM-STZFKDTASA-N	506.356	4.236	10	40	KICB	
O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1O	910348	ZOKKOVKAINSRMZ-WUXMJOGZSA-N	516.971	4.141	10	40	KICB	
CCN(CC)c1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O	100925658	QSYCXXZWMQJHGJ-JWGURIENSA-N	538.695	4.310	10	40	KICB	
O=C1CSC(=S)N1N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O	101088181	UVAYAJRBPQJMKV-UHFFFAOYSA-N	593.898	4.108	10	40	KICB	
Cc1cc(C(=O)COC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)c(C)n1-c1ccc(OC(F)F)cc1	102778525	XKPBACHEPRSNHD-QFIPXVFZSA-N	550.555	4.414	10	40	KICB	
Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(I)cc4)C(=O)[C@@H]23)cc1	226324234	BSQRRGBVQCWNAM-YPAWHYETSA-N	563.347	4.295	10	40	KICB	
CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1Br	408754829	SFRVXUTXGDRJDD-OQLLNIDSSA-N	566.202	4.128	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OS(=O)(=O)c1ccccc1	409073299	LYEZOUHYRRHGHF-DEDYPNTBSA-N	526.954	4.173	10	40	KICB	
COCCCNC(=O)Cn1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c2cc(Br)ccc21	409148794	RUZMQIRCTCSOTI-FBHDLOMBSA-N	559.511	4.353	10	40	KICB	
CCN(CC)C(=O)C[C@@H]1CCN2C[C@@H]1C=CCOc1ccccc1CN(Cc1ccccc1O)CC2=O	958317777	MGWYIDXJPRZYJS-ZEQRLZLVSA-N	505.659	4.066	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3Br)C2=O)cc(OC)c1OC	1269288	NGQOWFBOYQKQRE-YBEGLDIGSA-N	509.403	4.021	10	40	KICB	
O=C1/C(=C\c2ccc(I)o2)SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2	9234601	AAIXOZPHFITWDN-MKMNVTDBSA-N	514.410	4.333	10	40	KICB	
Cc1ccc2nc(-c3ccc(NC(=S)NNc4ccc(S(N)(=O)=O)cc4[N+](=O)[O-])cc3)sc2c1	13526898	PZWFJXFVVUEYGU-UHFFFAOYSA-N	514.614	4.141	10	40	KICB	
O=C1[C@H]2[C@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1	100414533	LFOATGZJQMODDA-HKBOAZHASA-N	547.317	4.052	10	40	KICB	
O=C1/C(=C/c2c(NCc3ccco3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc2c(c1)OCO2	100763692	WYGFMKQDKZKAAH-JAIQZWGSSA-N	518.576	4.030	10	40	KICB	
CCN(CC)c1ccc(CNC(=O)[C@H]2CN(S(=O)(=O)c3ccc(C)cc3)c3ccc(C)cc3O2)cc1	223316581	LZGRPPKVCLVDMR-HHHXNRCGSA-N	507.656	4.422	10	40	KICB	
Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1	408888690	ZARGOUSGTDLUOX-DEDYPNTBSA-N	510.955	4.391	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409029611	BAJGTSXRGSISFV-CCORILLZSA-N	674.732	4.065	10	40	KICB	
CCN1C(=O)C(=Cc2ccc(OCC(=O)Nc3cc(C)c(C)cc3Br)cc2)C(=O)N(CC)C1=S	669196	KXFXMNURNPLSFV-UHFFFAOYSA-N	544.471	4.462	10	40	KICB	
COc1cc(/C=C2/C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2O)c(Br)cc1OC(C)C	59104830	AHRJKASHVDVRRJ-MKMNVTDBSA-N	503.305	4.480	10	40	KICB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)cc2)cc1	408896924	UWPIEPDXQQOJRB-XSFVSMFZSA-N	510.955	4.391	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1	408950457	KIZXUQAMSHAGSA-VXLYETTFSA-N	608.401	4.260	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C	409255156	KOOCXTKYIQIHER-STZFKDTASA-N	515.591	4.161	10	40	KICB	
CN(C)c1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)cc1	6074959	VYHSFBICFDTNKM-SANMLTNESA-N	502.594	4.326	10	40	KICB	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N(CCO)c3ccccc3)C2=O)cc1OC	8819976	IYEKORNWQLQOFS-NKFKGCMQSA-N	514.669	4.491	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1	103844807	MZMKZICDRUNNAG-VXLYETTFSA-N	608.401	4.260	10	40	KICB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccccn1	225388005	KSZQJKFKTYQTKD-DQEYMECFSA-N	518.668	4.433	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OCC)cc4)c3C)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	408725786	KFEHDMUJTISBKQ-KEPJHFNWSA-N	613.692	4.111	10	40	KICB	
CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1I	408776410	NXXASGMPNVTEMK-LZYBPNLTSA-N	627.229	4.279	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C2=O)cc1	408883328	VBQMAKHDGUZSHF-FYJGNVAPSA-N	662.458	4.441	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	409057374	LJOPPYFMCVONHR-IAOUMNOZSA-N	561.704	4.196	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCc1ccc(C(=O)O)cc1	409074988	WFIVKELASHDUCW-VXLYETTFSA-N	567.348	4.107	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1OS(=O)(=O)c1ccccc1	409078433	HVKKCLSWLDFSHO-CPNJWEJPSA-N	618.405	4.124	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc(I)c1OC	409084281	AXHKDSKHPPSFRC-UXBLZVDNSA-N	547.132	4.282	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCC(=O)N1CCOCC1	409228176	VJCGGIHGRLQXAW-UNOMPAQXSA-N	567.458	4.240	10	40	KICB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc(C(=O)OC)cc3C)c2C)C1=O	409250204	MPDSJXATUFRSSI-RCCKNPSSSA-N	501.539	4.254	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1	409257680	UEXHZGKOPOHWJF-UNOMPAQXSA-N	566.433	4.307	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCc1ccc(I)cc1	409372992	OWMGSOYMHLMDAZ-YBFXNURJSA-N	558.328	4.134	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1ccc(C(=O)O)cc1	409374476	QQCUNDBOXZYWNY-VXLYETTFSA-N	569.364	4.380	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(NCC(C)C)nc12	2326278	FRNTUKAKAOSTBJ-JMIUGGIZSA-N	508.625	4.201	10	40	KICB	
CCOc1ccccc1N1C(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O	9968848	SMCXJBKSVYHVDA-VABKMULXSA-N	501.922	4.434	10	40	KICB	
CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)N3CCN(c4ccc(OC)cc4)CC3)cc2c1	19941453	GCTQETVOGUBMMC-AREMUKBSSA-N	515.662	4.142	10	40	KICB	
Cc1ccc2nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1	97959811	ZYJCZFHMYOSEMO-QFEZKATASA-N	601.710	4.048	10	40	KICB	
Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@H]2[C@@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@@H]4c1c(O)cc(O)c2c1O[C@@H](c1ccc(O)c(O)c1)[C@H](O)C2	253388226	BYSRPHRKESMCPO-HYWOHMBNSA-N	864.765	4.242	10	40	KICB	endogenous,in-man
CN(C)C(=O)c1ccc(N/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1	408528242	FQOGFCASNGOBLP-KOEQRZSOSA-N	512.610	4.435	10	40	KICB	
O=C1NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C(=O)/C1=C\c1ccccc1OC(=O)c1ccc(Br)cc1	408533306	JWLJVYKRLWJMBE-RTNSUPHESA-N	509.356	4.319	10	40	KICB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(OCC(=O)Nc2cccc(C)c2)c1	409045549	ZDGFVMDJZUUGJV-WSDLNYQXSA-N	519.941	4.341	10	40	KICB	
COC(=O)c1cccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)Nc4cccc(C)c4)C3=O)c2C)c1C	409106582	OCTOUFQIDGIIMC-OEAKJJBVSA-N	500.555	4.029	10	40	KICB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OC)C2=O)cc1OCC	409194628	PXCPDOZBXSOBSV-QGOAFFKASA-N	517.376	4.307	10	40	KICB	
CC(=O)c1cccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC(C)(C)C)c2ccc(N(C)C)cc2)c1	6074228	DVDQTYLPINRWLH-MUUNZHRXSA-N	526.641	4.389	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1cccc(C(=O)O)c1	12363056	RLTVVSHFSXGQJJ-BKUYFWCQSA-N	502.548	4.112	10	40	KICB	
O=C(O)COc1ccccc1/C=C1\SC(=S)N(NC(=O)C(c2ccccc2)c2ccccc2)C1=O	12625435	KWKBKZWYRHHOSC-QNGOZBTKSA-N	504.589	4.215	10	40	KICB	
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCN3C(=O)/C(=C\c4ccc(Cl)cc4)SC3=S)cc2)nn1	101001335	GNSDQDOHIGGKQI-XMHGGMMESA-N	590.108	4.169	10	40	KICB	
COc1ccc2c(c1)C=C[C@H]1N2[C@H](C(C)=O)[C@@H](C(=O)c2cc(OC)c(OC)c(OC)c2)[C@]12C(=O)Nc1ccccc12	103533144	MHZHCDFGVJPVLG-FFAHVWSXSA-N	554.599	4.283	10	40	KICB	
COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NC2CCCCC2)cc1	408779032	PHQVXEVBWVLGHD-ONUIUJJFSA-N	518.610	4.396	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1	409041867	VZAZEWILMSBQKC-FUFNRSNVSA-N	579.719	4.146	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)C2=O)cc1	409083219	UVTKZWLSTNFPTQ-RQZCQDPDSA-N	688.343	4.362	10	40	KICB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2cccc(OCC(=O)Nc3ccc(F)cc3)c2)C1=O	409364876	QXLYBMWMTCPPIC-CIAFOILYSA-N	507.905	4.471	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cn1	409408577	RKKOKRIBVHKKRU-YVLHZVERSA-N	525.315	4.405	10	40	KICB	
CCOC(=O)c1cccc(-c2ccc(/C=C3\C(=O)N(c4ccc(S(N)(=O)=O)cc4)N=C3C(F)(F)F)o2)c1	2168749	WXQVNEFRBPASIV-UYRXBGFRSA-N	533.484	4.119	10	40	KICB	
Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4I)C(=O)[C@H]23)cc1	8398080	PGYGLHBMMKFPSD-FKBYEOEOSA-N	563.347	4.295	10	40	KICB	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OCc1ccc(F)cc1	101393960	DVWPPNQHAWUUKW-ATKHPNIWSA-N	536.994	4.078	10	40	KICB	
COc1ccc(N2CCN(CN3C(=O)[C@@]4(OCC[C@H](Oc5ccc(Cl)cc5)O4)c4ccccc43)CC2)cc1	104161809	JNVVQAJVXLWWKP-XRKRLSELSA-N	536.028	4.470	10	40	KICB	
CN1C(=O)C(=Cc2ccc(OCc3ccc(I)cc3)c(I)c2)C(=O)N(C)C1=S	164429842	PYJWTMSEXORGNR-UHFFFAOYSA-N	618.234	4.074	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3OC)C2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	408537129	UPGQAHCYRJTGIF-VIQQRITCSA-N	557.515	4.287	10	40	KICB	
COc1ccc(N2C(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)cc4)c(Br)c3)C(=O)NC2=S)cc1	408761452	FNTQEBBZAHGPKP-MOSHPQCFSA-N	587.473	4.365	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1cccc(OC)c1OCC	408909924	IYNFKFVZWDBKOM-NLZIUFDSSA-N	600.535	4.034	10	40	KICB	
O=C(Cn1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c2cc(Br)ccc21)N1CCCC1	409124620	LCQBWCKASHICPI-NAGKPISUSA-N	534.501	4.406	10	40	KICB	
COc1cc(/C=C2\SC(=S)NC2=O)cc(I)c1OCC(=O)Nc1cc(C)cc(C)c1	409234595	LUVJNZZLYOHWHN-MFOYZWKCSA-N	554.431	4.423	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl	409255292	HSBGGWCRJQHSDU-LDADJPATSA-N	523.904	4.172	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1	409272669	RKKWOOIJBSQMCI-UCQKPKSFSA-N	558.547	4.294	10	40	KICB	
COc1cccc(N2C(=O)/C(=C\c3ccc(OC)c(CN4C(=O)c5ccccc5C4=O)c3)C(O)=NC2=S)c1	97969063	WWAANGUGVIEBFY-XKZIYDEJSA-N	527.558	4.172	10	40	KICB	
CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(N(CC)CC)cc3OC)c2=O)=N1	103827473	RXVYCFRPDFCKIE-USDTVRPUSA-N	593.746	4.451	10	40	KICB	
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)c(I)c1	103841987	ASBZQZFNVQATFT-GIJQJNRQSA-N	586.313	4.404	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408533668	KKTDWKBEYFEMHO-KGENOOAVSA-N	515.478	4.188	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC	408725769	JWRWVRLTTULFOP-PIXWUVMMSA-N	602.669	4.131	10	40	KICB	
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1OCc1c(C)ccc2ccccc12	408810094	LNTABPXZSMQSPS-UHFFFAOYSA-N	556.356	4.480	10	40	KICB	
COc1ccc(OC)c(COc2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)cc2OC)c1	408989517	KYPDIBUPDOLQGG-FYJGNVAPSA-N	504.564	4.123	10	40	KICB	
O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccccc1	409075414	YLFMRNCDDCWMCW-WOJGMQOQSA-N	562.343	4.336	10	40	KICB	
Cc1ccc(S(=O)(=O)NC(=O)c2cc(C)n(-c3cc(S(=O)(=O)N4CCCCC4)ccc3C)c2C)cc1	3215552	WQSYPQQRSGMLGY-UHFFFAOYSA-N	529.684	4.004	10	40	KICB	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OCc1ccccc1F	101396572	JUQRALYRRLOGEG-XSBGCYDXSA-N	530.603	4.203	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	408695377	STWODCNLUOZLFZ-YBFXNURJSA-N	529.952	4.300	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OCC	408778232	RIUCHGWMOWGQPW-LICLKQGHSA-N	534.350	4.372	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4F)c(Cl)c3)C2=O)c(OC)c1	409384180	ATBMXBHBSAUVAE-GZTJUZNOSA-N	553.930	4.180	10	40	KICB	
O=C(NC1CCCCC1)[C@@H](c1ccc(N2CCOCC2)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)Cn1nnc2ccccc21	6475479	SCIVYCZMAWXXJV-MGBGTMOVSA-N	610.715	4.216	10	40	KICB	
O=S(=O)(c1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)cc1)N1CCOCC1	8454235	QMUANPPAJBPXTK-DXIQSLLYSA-N	522.408	4.139	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)c(N3C[C@@H](C)O[C@H](C)C3)nc12	8872537	ACXMVWKPNPMNQX-LAAKUTDTSA-N	520.680	4.060	10	40	KICB	
Cc1ccc(C)c(N(Cc2ccc(C(=O)NCc3ccc(N4CCOCC4)cc3)cc2)S(C)(=O)=O)c1	113965793	HJZDINDPMSMOLD-UHFFFAOYSA-N	507.656	4.036	10	40	KICB	
Cc1cccc(NS(=O)(=O)c2ccc(N/C=C3\C(=O)NC(=O)N(c4c(C)cc(C)cc4C)C3=O)cc2)c1	408527420	DLLLXTKQYGYZSX-HZHRSRAPSA-N	518.595	4.300	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	408953219	PFFUOCUZEKTPEA-DJKKODMXSA-N	563.950	4.070	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F	409382212	ZEUBZAWIPWGPKR-YVLHZVERSA-N	568.901	4.080	10	40	KICB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)cc([N+](=O)[O-])c1OCc1ccc([N+](=O)[O-])cc1	409398845	DOZIBDNRXOJTAB-ODLFYWEKSA-N	539.298	4.306	10	40	KICB	
Cc1ccc2c(CCNC(=O)CN3CCC4(CCCCc5ccccc5OCCNC4=O)CC3)c(C)n(C)c2c1	643558389	KFBAUSICVTTWSH-UHFFFAOYSA-N	544.740	4.458	10	40	KICB	
Cc1ccc(S(=O)(=O)c2nc(/C=C3/SC(=S)N(Cc4ccc(F)cc4)C3=O)oc2N2CCOCC2)cc1	1796515	VYQNCYYDKDDUFS-XSFVSMFZSA-N	559.666	4.193	10	40	KICB	
Cc1ccc(CN2C(=O)/C(=C/c3c(N4C[C@@H](C)O[C@H](C)C4)nc4c(C)cccn4c3=O)SC2=S)cc1	12614321	UHYAQIVTQDGDKM-BOAUMIJQSA-N	520.680	4.326	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1cccc(C(=O)O)c1	59303067	HJTHSVHGFLTNGZ-LPYMAVHISA-N	516.575	4.421	10	40	KICB	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)O)c(Br)c3)C2=O)c1	103846677	DABHVRXIKOQIOG-VGOFMYFVSA-N	567.776	4.030	10	40	KICB	
CN1C(=O)[C@]2(c3cc(Cl)ccc31)N(C)C[C@H](c1ccccn1)[C@]21SC(=S)N(Cc2ccccc2)C1=O	106021759	ZBUYIQUXICGXFL-JAMKYWPSSA-N	535.094	4.435	10	40	KICB	
O=C(O[C@@H]1Cc2cc(O)c(O)cc2O[C@@H]1c1cc(O)c(=O)c2c(O)c(O)cc([C@H]3Oc4cc(O)cc(O)c4C[C@H]3OC(=O)c3cc(O)c(O)c(O)c3)c2c1)c1cc(O)c(O)c(O)c1	150339279	FSBSEOILEKZRTH-ISBUVJFSSA-N	868.709	4.176	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1O	408757199	VVKJMQVDYZRUAQ-NTUHNPAUSA-N	571.165	4.133	10	40	KICB	
O=C1NC(=S)NC(=O)C1=Cc1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)c([N+](=O)[O-])c1	408989530	IAEPIKLBCDWMOA-UHFFFAOYSA-N	587.620	4.071	10	40	KICB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3c(C)n(CC(=O)Nc4ccccc4F)c4ccccc34)C2=O)o1	409399540	JRZROLAIAFHNPT-XKZIYDEJSA-N	530.512	4.200	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4Br)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	100416819	ZASFDPRXZLMBFX-XPWALMASSA-N	574.383	4.321	10	40	KICB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1ccc(N2CCOCC2)cc1	223213126	UIGWRYPKELIHSM-WUFINQPMSA-N	518.731	4.250	10	40	KICB	
CC[C@H](C)Oc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc1OC	409013294	UHVIAQHPCNVING-VZWMTCDZSA-N	519.417	4.475	10	40	KICB	
COCCN1C(=O)/C(=C/c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)C(=O)N(c2ccccc2)C1=O	409015498	ZXSLIMXHNHEAOU-UQQQWYQISA-N	540.551	4.444	10	40	KICB	
COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3cccc(I)c3)c2C)C1=O	409240083	OGJUCPVPKHHCEK-CIAFOILYSA-N	570.387	4.239	10	40	KICB	
O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	4417458	YEJDQJWZPSNLOU-JXAWBTAJSA-N	530.678	4.174	10	40	KICB	
CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OCC	100223439	UNSXDZWMXKRNDZ-GXDHUFHOSA-N	523.394	4.165	10	40	KICB	
COc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C(=O)NC2=S)cc1	408759129	YDYBNRMKIDXMGQ-NDENLUEZSA-N	617.499	4.374	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Br)c1OC(C)C	408819220	YQIBZCHNCCFQRG-LICLKQGHSA-N	531.359	4.088	10	40	KICB	
COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1	409003167	FCBPGBCTCBKESY-BUVRLJJBSA-N	513.550	4.029	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1	409044289	BOZUPXUIEJKAJD-UDWIEESQSA-N	580.391	4.237	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCc1ccc(C(=O)O)cc1	409064167	BXHHLTVUYNEIQU-DJKKODMXSA-N	643.346	4.152	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OCC(=O)Nc4cc(C)ccc4C)c3)C2=O)cc1	409259521	ABUHGYZXQUHLMQ-LFVJCYFKSA-N	513.550	4.386	10	40	KICB	
Cc1ccc(C)c(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCc2ccccc2)c2ccc(N(C)C)cc2)c1	6195561	XKHORDLIDVGERG-SANMLTNESA-N	556.692	4.212	10	40	KICB	
COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)C2=O)c1	8819209	PSWFYAWGMLFCLA-AQTBWJFISA-N	515.682	4.355	10	40	KICB	
Cc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c(C)n1-c1ccc(C(C)C)cc1	9273265	XGSRNNBXJFHGQL-VIZRJVHBSA-N	518.643	4.086	10	40	KICB	
CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1	20286492	OCEGCNCDGPDIFR-QNGOZBTKSA-N	519.612	4.304	10	40	KICB	
COC(=O)c1c(-n2c(C)cc(/C=C3/C(=O)N(C)c4ccc(S(=O)(=O)N5CCOCC5)cc43)c2C)sc(C)c1C	101377548	UZWGHHQSOQDAGV-OEAKJJBVSA-N	569.705	4.097	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc(I)c1OCc1ccccc1F	208664060	WKYVKAKRJQEHTJ-PXNMLYILSA-N	559.378	4.304	10	40	KICB	
CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)cc2OC)cc1	409261150	AOVJHEOPDCKJJR-SPMKTWQFSA-N	528.652	4.492	10	40	KICB	
COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1	658292	XRORDBAWOHBYJW-JLPGSUDCSA-N	585.476	4.436	10	40	KICB	
N=C1/C(=C/c2ccc(OCCOc3ccccc3)cc2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12	8738546	ROOISQCDGXZRMW-RASFQVKSSA-N	517.611	4.166	10	40	KICB	
COc1ccc(N2CCN(C(=O)CN(c3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1	20060657	ABAWXUHAEJYZLU-UHFFFAOYSA-N	514.047	4.201	10	40	KICB	
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/N1CCN(/C=C2/C(=O)N(c3ccc(C)c(C)c3)N=C2C)CC1	95470903	BFMXPVYQWQYTDF-XUIWWLCJSA-N	510.642	4.451	10	40	KICB	
COc1cccc(OCCOc2c(Br)cc(/C=C3\C(=O)NN(c4ccccc4)C3=O)cc2OC)c1	97958638	UUZPHSARPARIPT-FYJGNVAPSA-N	539.382	4.386	10	40	KICB	
Cc1cccc(C)c1N(Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1)S(C)(=O)=O	113963802	NVPLWJCKUHNPFL-UHFFFAOYSA-N	507.656	4.036	10	40	KICB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nnc(C)s4)c([N+](=O)[O-])c3)C(=O)NC2=S)c(C)c1	408991700	OWVQOSLIWNQVJZ-OQLLNIDSSA-N	511.610	4.354	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1	409373301	GUNMDVMTDWPRCZ-VXLYETTFSA-N	617.352	4.432	10	40	KICB	
COc1ccc(N2CCN(S(=O)(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)c(F)c3)CC2)cc1	8810126	FOJSNXIPMNRUJC-UHFFFAOYSA-N	503.983	4.251	10	40	KICB	
O=C1/C(=C/c2ccc(I)o2)SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2	12631255	AAIXOZPHFITWDN-NSIKDUERSA-N	514.410	4.333	10	40	KICB	
COc1ccc(S(=O)(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc(C(C)C)c2O)cc1	26787047	BIYAXLPYCRSHIN-UHFFFAOYSA-N	506.558	4.066	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCCOc1ccccc1OC	100229033	IKPZLUBFSHKLDN-XLNRJJMWSA-N	532.549	4.227	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1OCc1cccc(F)c1	408692036	BURWAPFGQVVLQT-VCHYOVAHSA-N	564.351	4.422	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)cc1	408741669	RLRSPUZYBXDHTF-BOPFTXTBSA-N	512.272	4.292	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc2c(c1)OCO2	408785904	JMGBRBVGRRCHCV-VXLYETTFSA-N	506.898	4.323	10	40	KICB	
CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1OC	408812421	MXJIPLFODBOFBS-MDWZMJQESA-N	540.741	4.327	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(F)cc1	408937257	NPIXISSEQNHESW-FYJGNVAPSA-N	505.458	4.378	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3OC(C)C)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	409021652	RVLFPGIDFMFQQD-XXMKCSCWSA-N	540.085	4.305	10	40	KICB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccccc2OCC(=O)Nc2ccccc2F)C1=O	409379910	BVLWOQKNULBELS-LDADJPATSA-N	507.905	4.471	10	40	KICB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccccc1	9246813	GRIIHXCIHDNGAX-OCKNXMHGSA-N	509.631	4.002	10	40	KICB	
COc1ccc(N2CCN(C(=O)CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)CC2)cc1	20061109	IUZOORPHPDVCSG-UHFFFAOYSA-N	514.047	4.201	10	40	KICB	
CCOC(=O)COc1ccc(Br)cc1/C=C1/C(=O)N(c2ccccc2F)C(=S)N=C1O	59136447	ORQKYNIDFOHUPY-GXDHUFHOSA-N	507.337	4.202	10	40	KICB	
Cc1ccc(CN2C(=O)[C@@H]3[C@H](c4ccc(I)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	97944191	RKMGYIRQIVYSRR-VABKMULXSA-N	577.374	4.290	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OC	100077550	LNSXFLRBHMVWBW-QPJBPQEWSA-N	545.636	4.354	10	40	KICB	
Cc1ccc(CN2C(=O)[C@@H]3[C@@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	100517630	BLAATVRAIPYQGN-RJGXRXQPSA-N	530.374	4.448	10	40	KICB	
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	408956468	XDJJRAUEEYHPSH-GIJQJNRQSA-N	566.320	4.331	10	40	KICB	
COc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(Br)c3)C(=O)NC2=S)c(OC)c1	409104400	ZAMIRQKDOPVVQF-LDADJPATSA-N	512.385	4.088	10	40	KICB	
CCCN1C(=O)/C(=C/c2cc(I)c(OCC(=O)N3CCCC3)c(OCC)c2)SC1=S	409235239	ZEFPHXRIDUEBMU-ATVHPVEESA-N	560.479	4.302	10	40	KICB	
CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)cc2OC)cc1	409261149	AOVJHEOPDCKJJR-FVHJOOJJSA-N	528.652	4.492	10	40	KICB	
COc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Br	409369922	HQRWWYGUQDXQJF-AQTBWJFISA-N	550.365	4.142	10	40	KICB	
COc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1	409380336	LBBDOUJREKKMCP-ZHZULCJRSA-N	505.914	4.033	10	40	KICB	
CN1CCN(C(=O)C2CN(Cc3ccc(Cl)cc3)C2)CCOc2ccc(N3CCOCC3)cc2Cc2cccc(c2)C1=O	643567915	AJFSGPJTRSQICY-UHFFFAOYSA-N	603.163	4.192	10	40	KICB	
Cc1nc(C(F)(F)F)ccc1C(=O)N1CCOc2ccc(N3CCOCC3)cc2Cc2cccc(c2)C(=O)N(C)CC1	643588374	FXRFYBSETCOBAT-UHFFFAOYSA-N	582.623	4.443	10	40	KICB	
Cc1ccc2nc(N3CCN(c4ccc(F)cc4)CC3)c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(=O)n2c1	2246599	CLRBXFPDFSQNQH-HMAPJEAMSA-N	537.686	4.326	10	40	KICB	
CCCCOc1c(Br)cc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc1OCC	108422984	GFOLBXWPTLRYMG-UNOMPAQXSA-N	536.448	4.480	10	40	KICB	
CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC	408775293	PBYJTEXYZMXCJF-CXUHLZMHSA-N	551.777	4.110	10	40	KICB	
CCOC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1I	408850996	TZZBYBWASULONX-LZYBPNLTSA-N	674.229	4.121	10	40	KICB	
Cc1ccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@H](C(=O)NC(C)(C)C)c2ccc(N(C)C)cc2)cc1	12470730	BHRIMZVOOCPZEC-SANMLTNESA-N	529.645	4.305	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OC	408804106	VWARRPUOWVACSD-RIYZIHGNSA-N	571.165	4.127	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OC(C)C)c(OCC)c3)C2=O)cc1	408805094	DOQVZEKRFUZZFE-WOJGMQOQSA-N	500.935	4.369	10	40	KICB	
COC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC	408948310	RDUGGZAGXPIIEH-NFYDWNOTSA-N	593.061	4.386	10	40	KICB	
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4C)c3C)c2=O)=N1	409029603	BTGCGBBBJJEBKR-ZGOFBEGVSA-N	556.644	4.422	10	40	KICB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCOCC4)cc3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC	409059996	UDBDYZXTBJTTAA-CLNXTWJPSA-N	616.139	4.434	10	40	KICB	
CCOc1c(I)cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1OC	409087080	ALJDXIRRXPQVKU-CDCQXCROSA-N	505.399	4.079	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC(=O)Nc4ccc(F)cc4)c(OC)c3)C2=O)cc1	409365718	WMYLBUQRCLUWEG-RGVLZGJSSA-N	598.381	4.289	10	40	KICB	
COc1ccc(N2CCN(C(=O)c3cc(OC)c(OC)cc3N(Cc3ccc(Cl)cc3)S(C)(=O)=O)CC2)cc1	59930858	JSZJIEDICSJBQX-UHFFFAOYSA-N	574.099	4.294	10	40	KICB	
COc1ccc(N2CCN(CCCNC(=O)CCc3nnc4n(Cc5ccccc5Cl)c(=O)c5ccccc5n34)CC2)cc1	101532442	SYKABAZGIMJKES-UHFFFAOYSA-N	614.150	4.016	10	40	KICB	
CCCCN1C(=O)/C(=C/c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	103237781	SSVATXKABCMDDS-JWGURIENSA-N	537.686	4.470	10	40	KICB	
COc1ccc(N2CCN(C(=O)CN(Cc3cccc(C)c3)S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1	409061804	IJLDBKNSGITLBZ-UHFFFAOYSA-N	528.074	4.197	10	40	KICB	
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1	409073505	PXDLOOPMVLGNLX-QGOAFFKASA-N	517.346	4.428	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(I)c1OC	409242072	UIPZQCBXDNBIOA-AWNIVKPZSA-N	562.307	4.159	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1	409374352	NEXBDZWQSPMSPH-YBFXNURJSA-N	523.929	4.011	10	40	KICB	
O=C1N=C(O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(N2CCOCC2)o1	8913987	YXJWOBSKUYZHLV-ZVHZXABRSA-N	501.583	4.455	10	40	KICB	
O=C1[C@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1Br	18180631	KSAZRMOMQDSNSF-HKBOAZHASA-N	502.320	4.144	10	40	KICB	
Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(SCCO)c([N+](=O)[O-])c3)SC2=S)c(Cl)c1	32124904	KQUPMSKLFLXFCT-YVLHZVERSA-N	510.018	4.187	10	40	KICB	
COc1ccc(CN2C(=O)[C@H]3[C@H](c4ccc(Cl)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	100415114	GNLLPJOVKLZKET-VJBWXMMDSA-N	501.922	4.039	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)cc(I)c1OC	103814579	LLJXROJGOOROKB-MHWRWJLKSA-N	528.302	4.128	10	40	KICB	
COc1cc([C@@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c(O)nc3ccccn3c2=O)ccc1OCCc1ccccc1	108451105	HIANPAZSKGGMNW-RUZDIDTESA-N	595.652	4.322	10	40	KICB	biogenic
COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C	223712347	AOUDBEKUTSZQGK-NSOVKSMOSA-N	533.698	4.251	10	40	KICB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccccn1	225387927	KSZQJKFKTYQTKD-RPBOFIJWSA-N	518.668	4.433	10	40	KICB	
CCOc1cccc(N2C(=O)/C(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])C(=O)NC2=S)c1	408743369	WBOWGAZKTGIARI-CIAFOILYSA-N	533.562	4.412	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	408844637	UNFWYRNZEHVCAG-BIWBSIMWSA-N	572.643	4.341	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409046370	REDPZKPOLDOIJE-CCORILLZSA-N	647.725	4.295	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4C)c(Cl)c3)C2=O)cc1	409263236	ILOPHXPPEGYXKY-MOSHPQCFSA-N	547.951	4.119	10	40	KICB	
COc1ccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2OC)cc1	409382486	NLQPRUSBJWIVMD-JAIQZWGSSA-N	625.388	4.058	10	40	KICB	
CCCCCN1C(=O)/C(=C/c2c(N3CCC(C(=O)OCC)CC3)nc3c(C)cccn3c2=O)SC1=S	8857875	OKHZHGHSZNWWHC-SILNSSARSA-N	528.700	4.174	10	40	KICB	
CCc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@@H]23)cc1	18249463	IPVRXYPKVIERMQ-TZRRMPRUSA-N	510.502	4.161	10	40	KICB	
Cc1ccc(OCCn2cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c3cc(Br)ccc32)cc1	59087221	QJIBZADFFMGVAC-UHFFFAOYSA-N	512.429	4.390	10	40	KICB	
C[C@H](OC(=O)c1ccccc1NS(=O)(=O)c1cccc(N)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	102925329	QPTMTMRZFGMBLV-KRWDZBQOSA-N	569.595	4.029	10	40	KICB	
CCOC(=O)COc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OCC	103859418	HXPRNRUAWGYQEG-CXUHLZMHSA-N	596.228	4.219	10	40	KICB	
Cc1cc(NC(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c(C)cc1Br	408690596	WAODWGNDXBHQSD-ZRCGQRJVSA-N	539.426	4.110	10	40	KICB	
Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O	408691330	ZJHHYVOQCCEMOE-SPEDKVCISA-N	559.844	4.455	10	40	KICB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(OS(=O)(=O)c2ccc(C)cc2)c1	408893168	FVMYFQFKYIUGTN-OEAKJJBVSA-N	520.563	4.055	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409002829	WPNVLMZPFUJNAC-MIUGUJGPSA-N	615.708	4.010	10	40	KICB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(O)c(Br)c3)C2=O)cc1OC	409132656	JRMFIXQBLDPUNB-VGOFMYFVSA-N	568.218	4.377	10	40	KICB	
O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Cl)Nc1ccc(Cl)cc1	409225348	OPNVATCXYGICAF-YBFXNURJSA-N	526.332	4.383	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C	409252822	FBHFZMSHBXRSTK-STZFKDTASA-N	515.591	4.161	10	40	KICB	
Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1=O	409276267	ZRJNWIJOUWPQRV-JAIQZWGSSA-N	516.963	4.068	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(Cc4ccccc4Cl)c4ccccc43)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	409387416	IOOKSYXLJJQGOH-DFXXOVSGSA-N	613.139	4.435	10	40	KICB	
C[C@@H]1NC(=O)C2(CCCCc3ccccc3OCCNC1=O)CCN(Cc1ccc(N3CCCC3)c(F)c1)CC2	643561525	QIORLIFCBAZKCL-DEOSSOPVSA-N	550.719	4.434	10	40	KICB	
COc1cc(/C=C2\SC(Nc3ccccc3)=NC2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	33712925	XAFBUUNCUDUTTC-ZHZULCJRSA-N	511.537	4.454	10	40	KICB	
CN(C)c1ccc(/C=c2/s/c(=C\S(=O)(=O)c3ccc(Cl)cc3)n(CC(=O)c3ccc(Br)cc3)c2=O)cc1	96021871	OQJOWCBEZBJCJU-BWYHIUGVSA-N	617.974	4.315	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1	100189882	BGJJGAREPBTVQO-OXWVMCNISA-N	563.720	4.442	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1	100189885	BGJJGAREPBTVQO-FHMSYZJOSA-N	563.720	4.442	10	40	KICB	
CN1C(=O)[C@@]2(c3cc(Cl)ccc31)N(C)C[C@@H](c1ccncc1)[C@@]21SC(=S)N(Cc2ccccc2)C1=O	101392015	QTMRLSJUUPQGIV-KWTBFXGESA-N	535.094	4.435	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408803380	OFWRTTIOWAOJLD-VXLYETTFSA-N	523.885	4.208	10	40	KICB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)cc(I)c3O)C2=O)cc1Cl	408982242	CWYPMPWMFCCBLY-XGICHPGQSA-N	517.106	4.278	10	40	KICB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(C)cc4)cc3)C2=O)cc1OC	409227337	ZLYNXYVFJUBJOL-LFVJCYFKSA-N	543.576	4.476	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409273314	XBONEGSJMAQMPK-JAIQZWGSSA-N	564.938	4.249	10	40	KICB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCC(=O)Nc3ccccc3F)C2=O)cc1Cl	409372072	XWVYQTGLHDWMPH-LDADJPATSA-N	507.905	4.471	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCc4ccccc4)C3=O)c(N3C[C@H](C)O[C@@H](C)C3)nc12	100946462	PWTMQXXGVNQROC-KXOUHSRZSA-N	534.707	4.451	10	40	KICB	
O=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	102778659	RQDFRHSDCFJAHQ-DEOSSOPVSA-N	538.581	4.047	10	40	KICB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1ccc(N2CCOCC2)cc1	223213173	UIGWRYPKELIHSM-NSOVKSMOSA-N	518.731	4.250	10	40	KICB	
O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccccc1I	408553558	ZXJXCBQUCYBXAB-CSKARUKUSA-N	503.148	4.429	10	40	KICB	
COc1cc(OC)c(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1Br	408742932	UETSBSCRNRVXCI-AWNIVKPZSA-N	526.206	4.060	10	40	KICB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2)cc1	408880454	KAPKQBZPXGBRIH-FYJGNVAPSA-N	510.955	4.391	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCC(=O)Nc4ccc(F)cc4)c(OC)c3)C2=O)cc1	409364481	PVFWFWCEVBAQNH-RGVLZGJSSA-N	645.381	4.131	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(I)c1OCc1ccc(F)cc1	409373389	QZWRBVMIMBFHJH-GIJQJNRQSA-N	576.318	4.273	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	409374814	ZYSXYLRSFNKKOT-VXLYETTFSA-N	568.380	4.039	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OCC(=O)Nc4ccc(C)c(C)c4)c3)C2=O)c(OC)c1	409379469	YBFDXSFUCYACAL-OEAKJJBVSA-N	529.549	4.005	10	40	KICB	
COc1cc(Br)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1cccc(C(=O)O)c1	409407154	LHYXSJQWZCKJAZ-UDWIEESQSA-N	523.339	4.196	10	40	KICB	
COc1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc1COc1ccc(NC(C)=O)cc1	2277329	KDKDSNJGRPWSPB-QRVIBDJDSA-N	519.554	4.203	10	40	KICB	
CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](CNc1cc(C)c(C)cc1/N=N/c1ccc([N+](=O)[O-])cc1)OC(C)=O	4522858	IHOVYQIUFLJFMV-RNKBUGDHSA-N	572.571	4.397	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCCOc1ccccc1	9635659	YOYAFQUCLFMODF-QJOMJCCJSA-N	502.523	4.218	10	40	KICB	
O=C(C[C@H]1SC(=O)NC1=O)Oc1ccc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc1	28294949	AIIMCGSQNUUMRD-MOVXZBDNSA-N	500.326	4.078	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1ccc(SC)cc1	105499053	DWMCIUUMRAXDEB-GJFKPFFXSA-N	537.707	4.072	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc(I)c1O	409107533	SAMDXZKPBINAHQ-UXBLZVDNSA-N	547.132	4.369	10	40	KICB	
Cc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I	409400555	TXOFROSKFSFSKC-UYRXBGFRSA-N	553.356	4.079	10	40	KICB	
COc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)ccc1OCc1ccccc1F	9463960	ASFOBXABGMGCGR-XXHFGZKOSA-N	521.574	4.045	10	40	KICB	
CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	10113392	AJNYCDUATKWVAL-UHFFFAOYSA-N	537.726	4.073	10	40	KICB	
COc1ccc(/C=C2\SC(=S)N(CCC(=O)N(Cc3ccc(Cl)cc3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1	97947423	XQJHKYRIELVDEX-IDCRMVTHSA-N	565.138	4.156	10	40	KICB	
CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)CC1	100860880	FKPPPRPQMGBYFX-JWGURIENSA-N	548.690	4.184	10	40	KICB	
Cc1ccc(N2C(=O)[C@@H]3[C@H](c4cccc(I)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	102902295	XQGYDRQSSLEJSU-FKBYEOEOSA-N	563.347	4.295	10	40	KICB	
O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCOCC2)cc1	113624449	AHUZIAZYPLGBBA-UHFFFAOYSA-N	534.465	4.342	10	40	KICB	
COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(=O)OC)c1C	223743053	OPAJZOLOEKLOIJ-DQEYMECFSA-N	506.628	4.201	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc(C(=O)O)c4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	408837843	OTXAZDUCOJRXHM-UNDLXJOSSA-N	627.719	4.150	10	40	KICB	
CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C\c3ccc(N4CCOCC4)cc3)c2=O)=N1	409054432	AAJHHGZSQCZKKX-CMISJSSVSA-N	626.573	4.186	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)Nc4ccccc4OC)c(OC)c3)C2=O)cc1	409383063	QZRRNPOQBCYJDR-DEDYPNTBSA-N	579.993	4.440	10	40	KICB	
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)c3ccc(OC)cc32)S1	8426475	USXJNPKETLAFOP-HOTGVXAUSA-N	630.766	4.072	10	40	KICB	
O=C1/C(=C/c2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC(=S)N1CCc1ccccc1	101070776	YKLWQRNUKBLHSL-IWQUUTMOSA-N	528.659	4.284	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc2c(c1)OCO2	408772483	LZHNJSBGBJSFKQ-CIAFOILYSA-N	500.507	4.368	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3ccc(C)cc3)C2=O)cc1	408798023	DLLVYTLASLFYNM-OEAKJJBVSA-N	500.507	4.036	10	40	KICB	
O=C1NC(=O)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(Br)c1	408944815	VMBHIFBSKFSKPG-XDHOZWIPSA-N	521.323	4.393	10	40	KICB	
COC(=O)COc1c(I)cc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)cc1OC	409333695	VFSXUSNMUOJTPW-YVLHZVERSA-N	571.414	4.266	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCc1ccc(C(=O)O)cc1	408766026	NUVKTYRWSWLYMT-BKUYFWCQSA-N	516.575	4.421	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1	408819537	ZGRNYGSPAZHWII-FYJGNVAPSA-N	520.925	4.381	10	40	KICB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)c(O)c(I)c3)C2=O)cc1Cl	408985251	KCZDPJOSKDJEIZ-WCIBSUBMSA-N	608.557	4.230	10	40	KICB	
COc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)Nc4cccc(C)c4)c4ccccc34)C(=O)NC2=S)c(OC)c1	409068408	ALPCNWQLAWFBRU-OEAKJJBVSA-N	554.628	4.437	10	40	KICB	
COc1ccccc1N1C(=O)/C(=C/c2cn(CC(=O)Nc3ccccc3)c3ccccc23)C(=O)NC1=S	409173562	LXIUYLCJMUIORJ-RCCKNPSSSA-N	510.575	4.120	10	40	KICB	
Cc1ccc2nc(N3CCN(c4ccc(F)cc4)CC3)c(/C=C3/SC(=S)N(C(C)C)C3=O)c(=O)n2c1	2250194	NLHPOIXQIHBVKV-KGENOOAVSA-N	523.659	4.078	10	40	KICB	
CCOC(=O)c1c(NC(=O)CCC(=O)Nc2sc3c(c2C(=O)OCC)CCC3)sc2c1CCC2	8400233	DNIGCSKXUMYYOY-UHFFFAOYSA-N	504.630	4.498	10	40	KICB	
COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1	100228007	GZBKBQWZBTYDTH-OEAKJJBVSA-N	587.448	4.406	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OCC)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC	105516318	BHYVPXWLQVXTLB-PQRKSKNISA-N	599.709	4.391	10	40	KICB	
CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(s/c(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c2=O)=N1	408826304	GECAQTZRQLJFGQ-VPHSIRQSSA-N	613.692	4.413	10	40	KICB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	408853218	ZYPSZZDWTYQAFT-GIJQJNRQSA-N	542.331	4.464	10	40	KICB	
COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2C)c([N+](=O)[O-])c1	408902858	MJRZFXIHSNPTDF-YBFXNURJSA-N	539.342	4.440	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1C	409255799	ZRHOGBHAGKOUNP-ODLFYWEKSA-N	565.467	4.460	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409257112	QNXWBWSQFFNABM-JAIQZWGSSA-N	535.940	4.047	10	40	KICB	
COc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]23)cc1OC	13632854	RQTMGQSVONNSPC-XPWALMASSA-N	517.921	4.052	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(N3CCN(c4cccc(Cl)c4)CC3)nc12	97946570	GVVLWNDSOMFLEK-RGNNIMSVSA-N	582.151	4.363	10	40	KICB	
COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)c2C)cc1Cl	102472542	BPKWCQCBBVQXLB-PEYOBPGZSA-N	525.034	4.388	10	40	KICB	
CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I	103858650	KJCQPVDFWFWNFM-NTEUORMPSA-N	541.139	4.119	10	40	KICB	
O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(I)c(O)c(I)c1	150383829	PYLLTGYPGCUUSB-VZUCSPMQSA-N	655.049	4.195	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	408956433	WSVXVDJENPUUHH-QGMBQPNBSA-N	612.364	4.009	10	40	KICB	
O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)ccc1OS(=O)(=O)c1ccc(Cl)cc1	409081355	POSUPJSYDLQCNP-XDHOZWIPSA-N	577.796	4.242	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4cc(C)ccc4C)c(OC)c3)C2=O)cc1	409272059	OCXRJKFLQSKIGB-HZHRSRAPSA-N	543.576	4.395	10	40	KICB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409403706	ARHXPGXXAXPIJM-ODLFYWEKSA-N	571.327	4.248	10	40	KICB	
Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)c(C)n1-c1ccc2c(c1)OCCO2	3446793	XTLYSGHHQQYOAN-AREMUKBSSA-N	538.398	4.278	10	40	KICB	
COc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OC(=O)c1ccccc1F	13770528	YCACJQXUFANWHH-ZDFNEKIDSA-N	501.499	4.116	10	40	KICB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)o1	100194517	VZVKQWQZOSPMTO-BOPFTXTBSA-N	528.340	4.457	10	40	KICB	
COc1ccc(/C=C2/C(=O)NC(=S)N(CCC3=CCCCC3)C2=O)cc1CN1C(=O)c2ccccc2C1=O	100291883	GMDMTWPZZBTDFJ-KQWNVCNZSA-N	529.618	4.009	10	40	KICB	
Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)c(Br)c1	102579570	UUGBDJJZXFXZHN-BHDDXSALSA-N	516.347	4.453	10	40	KICB	
COc1cc([C@@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c(O)nc3ccccn3c2=O)ccc1OCc1ccccc1	108448930	SHZQXCLLKGJJEF-XMMPIXPASA-N	581.625	4.280	10	40	KICB	biogenic
COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1	408778849	MLWITAMYUMNBAR-QPHMKDBKSA-N	555.425	4.000	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408889976	MBBHBEXUJJYRJY-DEDYPNTBSA-N	632.432	4.432	10	40	KICB	
CCOc1c(I)cc(/C=C2/C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1OC	409149231	ZKDHXTXQAHFKDB-DHDCSXOGSA-N	536.391	4.147	10	40	KICB	
COc1ccccc1NC(=O)COc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O	409377582	INHVGNPBBBOFOW-CPNJWEJPSA-N	505.914	4.033	10	40	KICB	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(O)c(C(=O)O)c3)C2=O)cc1	8819915	NHMFNQHEBWZZFT-MOSHPQCFSA-N	500.598	4.499	10	40	KICB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(O)c(I)c1	100454592	JFPUVUCMVBDASN-VZUCSPMQSA-N	547.530	4.079	10	40	KICB	
CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	100629815	YOCGZBRKIBHLGJ-RCCKNPSSSA-N	503.422	4.342	10	40	KICB	
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1	408949674	IPWVHFZILZCOJG-VXLYETTFSA-N	566.320	4.331	10	40	KICB	
CCN(CC)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)Nc4ccccc4OC)C3=O)c2C)cc1	409244160	YTKDPMCHMLTEQW-KOEQRZSOSA-N	515.614	4.480	10	40	KICB	
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2[N+](=O)[O-])cc1	409399584	JWRJCRCFTXPYHV-ODLFYWEKSA-N	506.902	4.036	10	40	KICB	
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(I)c1OCc1ccc(I)cc1	164435113	RLUHGSVLPCHWRA-UHFFFAOYSA-N	662.287	4.472	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	408819110	WSVUBSCDLBAQII-FYJGNVAPSA-N	501.495	4.466	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(Br)c(Br)c1O	408893428	ALUBTPGYYYCQRB-MDWZMJQESA-N	524.165	4.291	10	40	KICB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(I)cc3)C2=O)c1	408964432	GXSMRGWBWWEMEK-DEDYPNTBSA-N	511.319	4.365	10	40	KICB	
CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1Cl	409182233	JSINXHGSUALHRG-YBEGLDIGSA-N	511.408	4.482	10	40	KICB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2C=C2C(=O)N(C)C(=O)N(C)C2=O)nnc1-c1cccc(Cl)c1	409190553	ZITBDPCPNQOFSO-UHFFFAOYSA-N	526.962	4.112	10	40	KICB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=C4C(=O)NC(=O)NC4=O)c3C)sc3c2CCCC3)cc1	59249218	AZJLBTPHAJNBPO-UHFFFAOYSA-N	502.596	4.345	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OC	408903783	YZMXHUSGKHSYSE-RIYZIHGNSA-N	524.165	4.285	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC(=O)Nc4cccc(C)c4)c(OC)c3)C2=O)cc1	409058702	SONZAWLUPCYYQZ-CIAFOILYSA-N	622.428	4.237	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(C(=O)O)cc3)C2=O)cc1	409070653	OGEUPTQHJUJBOX-FYJGNVAPSA-N	579.359	4.179	10	40	KICB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)N1CCOCC1	409198402	FRCCAZFQYLDUOS-HZHRSRAPSA-N	512.653	4.346	10	40	KICB	
O=C1[C@H]2[C@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	8397783	OZGITDSQJXVSFG-HKBOAZHASA-N	547.317	4.052	10	40	KICB	
COc1ccc(N2CCN(c3cc(SCC(=O)Nc4cc(Cl)ccc4OC)ncn3)CC2)cc1	49006849	JXYCJOOGBHQXQJ-UHFFFAOYSA-N	500.024	4.205	10	40	KICB	
COc1cc2c(c(O)c1-c1c(OC)cc(O)c3c1C(=O)c1cc(C)cc(O)c1C3=O)C(=O)c1c(O)cc(C)cc1C2=O	85763068	BJHQTGSKKZLDSE-UHFFFAOYSA-N	566.518	4.361	10	40	KICB	biogenic
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	105499696	QTCGPZYQKHBJFG-OBDCIHEFSA-N	628.707	4.360	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	220813554	WALFGCBSDQHRGO-UQDCTOEPSA-N	557.672	4.223	10	40	KICB	
COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C	223040040	UTFAXUVUKLEXMJ-RRPNLBNLSA-N	505.688	4.335	10	40	KICB	
CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OC	408760960	BLZCSYJDESUVMC-OVCLIPMQSA-N	596.228	4.137	10	40	KICB	
CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br	408777997	NRCKJTUHTKTJSW-VGOFMYFVSA-N	586.620	4.473	10	40	KICB	
CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1	408778174	QAAZNNURGHAFII-NMTARAHESA-N	534.609	4.027	10	40	KICB	
COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NC2CCCCC2)cc1	408781219	BCMSMVUDXMBYNV-DIBXZPPDSA-N	532.637	4.438	10	40	KICB	
CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C\c3ccc(N4CCOCC4)cc3)c2=O)=N1	409057253	JJNUXBNNEBEXPL-CMISJSSVSA-N	582.122	4.077	10	40	KICB	
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(I)cc(I)c1O	150383371	IBQCEAIYWBWGMO-WUXMJOGZSA-N	638.981	4.030	10	40	KICB	
O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc(Cl)c(Cl)c1	408686182	MTQCELMHFWKNCW-LVCYWYKZSA-N	501.366	4.038	10	40	KICB	
CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C3/C(=O)N(c4cccc(Br)c4)C(C)=C3C(=O)OC)o2)cc1	408867814	MBMBLCBMUCVDNI-BUVRLJJBSA-N	636.455	4.351	10	40	KICB	
O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1cc(Br)c(I)o1	408951762	JZQBGCFGIDLDJQ-BJMVGYQFSA-N	565.943	4.076	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(C(=O)O)c4)c(OC)c3)C2=O)c(OCC)c1	408955395	YBWWPCBHQBRRJM-HYARGMPZSA-N	560.559	4.436	10	40	KICB	
CCOC(=O)COc1ccc(C=C2C(=O)N(c3ccc(OC)cc3)C(=S)N(c3ccc(OC)cc3)C2=O)cc1	408991364	QHOLLPITHIHJGX-UHFFFAOYSA-N	546.601	4.394	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(C)c4C)c(Cl)c3)C2=O)cc1	409254874	JKUDWBINWAPDRR-BKUYFWCQSA-N	561.978	4.427	10	40	KICB	
CCc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@H]23)cc1	100127526	IPVRXYPKVIERMQ-HJOGWXRNSA-N	510.502	4.161	10	40	KICB	
COc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]23)cc1OC	100562396	XELDITCAKQZYMP-XPWALMASSA-N	562.372	4.161	10	40	KICB	
Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccc(Br)cc2)OC32C(=O)c3ccccc3C2=O)cc1	101099860	VUAMWUGAEXTRGG-YPAWHYETSA-N	516.347	4.453	10	40	KICB	
COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NC2CCCCC2)cc1	408788011	CFBYCULKOHNBSM-UQQQWYQISA-N	504.583	4.400	10	40	KICB	
COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1	408843981	AQCAPVDNBBURJC-OEAKJJBVSA-N	533.968	4.374	10	40	KICB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(OS(=O)(=O)c2ccc(C)cc2)c1	408900903	YWNJLIDJVMHLPO-CIAFOILYSA-N	540.981	4.400	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408942387	QNBLKHDWTQSNHP-UDWIEESQSA-N	630.429	4.499	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)ccc3OCC(=O)Nc3cccc(C)c3C)C2=O)cc1	409256274	KQKIOSNYJCSPFR-HMAPJEAMSA-N	561.978	4.427	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409374353	NHDXQRRGAWWGQM-RGVLZGJSSA-N	582.407	4.429	10	40	KICB	
CCOC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)c(O)c2)cc1	902655	LSKPQFIVZIYZRG-GDLZYMKVSA-N	571.634	4.243	10	40	KICB	
Cc1ccc2nc(N3CCN(c4cccc(Cl)c4)CC3)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1	100762310	YRYHSZBZNHVSGJ-FYYJVHHASA-N	582.151	4.363	10	40	KICB	
CCN1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(Cc3ccccc3Cl)C2=O)CC1	100861898	FVVFYCZRUPULAU-STZFKDTASA-N	540.114	4.200	10	40	KICB	
O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1Br)[C@H](c1ccccc1)OC21C(=O)c2ccccc2C1=O	169680810	KSAZRMOMQDSNSF-NJYVYQBISA-N	502.320	4.144	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccccc1	409067537	REYXPQFCPXTMQU-XDHOZWIPSA-N	571.951	4.081	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C	409264407	FQBUQUUQOJIXBQ-FYJGNVAPSA-N	517.513	4.135	10	40	KICB	
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)c3ccccc23)cc1	6073838	FFSIIFSFZMPCMK-UHFFFAOYSA-N	552.634	4.358	10	40	KICB	
O=C1[C@@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1Br	100414721	KSAZRMOMQDSNSF-ACRUOGEOSA-N	502.320	4.144	10	40	KICB	
CN(c1ccc(OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1)S(=O)(=O)c1cccs1	103051844	BGNIBOKOYOFZKY-UHFFFAOYSA-N	532.599	4.366	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)C2=O)cc1	409224398	LBNFNKSSWPMYTA-HZHRSRAPSA-N	529.549	4.086	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc(Br)c1OCC(=O)OC	409349751	QRROCJKGAPUJGE-DHDCSXOGSA-N	557.469	4.007	10	40	KICB	
COC(=O)COc1c(I)cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1OC	409350797	SNGUFUPHJSFFRW-MHWRWJLKSA-N	547.436	4.386	10	40	KICB	
Cc1c(NC(=O)CCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)c(=O)n(-c2ccccc2)n1C	1800118	MGWGILKJTZJEGJ-RGEXLXHISA-N	513.044	4.368	10	40	KICB	
CCOCCCN1C(=O)/C(=C/c2c(N3CCc4ccccc4C3)nc3ccc(C)cn3c2=O)SC1=S	9345972	FIQCFBILURIJPW-JCMHNJIXSA-N	520.680	4.193	10	40	KICB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCC(C(N)=O)CC3)=NC2=O)cc1Br	97946852	UMSMYVBKVYJURH-HMAPJEAMSA-N	566.481	4.478	10	40	KICB	
CCn1c(S/C(=C/c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)C(=O)O)nnc1-c1ccc(Cl)cc1	408633637	OHRONILICUCEFD-RCCKNPSSSA-N	529.022	4.496	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	408901714	AURAFKRZPPUDEJ-VXLYETTFSA-N	541.894	4.311	10	40	KICB	
Cc1ccc(S(=O)(=O)Oc2cccc(/C=C3/C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)c2)cc1	408940969	WARWMGYYUYAMKD-ZHZULCJRSA-N	510.955	4.391	10	40	KICB	
COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1	409004150	OJVRHBBQBPJMET-PTFSYIGCSA-N	527.577	4.277	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OS(=O)(=O)c4ccc(Cl)cc4)c3)C2=O)cc1	409071430	RIOIHPUEDFVUBY-JCMHNJIXSA-N	526.954	4.173	10	40	KICB	
COc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)cc2Br)cc1	409386897	OLHJLFUZXYDSJT-FYJGNVAPSA-N	580.391	4.150	10	40	KICB	
Cc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c(C)n1-c1cccc(Br)c1	101090418	PUPCVQATZPHRFE-ULZOKRSMSA-N	539.459	4.488	10	40	KICB	
O=C1c2cnc3ncnn3c2[C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H](c3cccc(Cl)c3)[C@H]2N1Cc1ccccc1	107913851	OEGVVYYJFPDBND-DMDYGQEQSA-N	561.985	4.475	10	40	KICB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5ccc(C(C)=O)cc5)c4C)c(=O)n32)cc1OCC	408938199	RYJBWGIFDMZULD-HJRUQSCCSA-N	599.709	4.426	10	40	KICB	
CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCCC5)cc4)c(=O)n32)cc1	409054550	BPWRYLQOOVKDFJ-HPFVHPJRSA-N	531.678	4.186	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(I)c1OCc1ccccc1	409372899	NTQFGGISGJFSCA-VCHYOVAHSA-N	558.328	4.134	10	40	KICB	
COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OC(=O)c1ccc(F)cc1	41078412	GCYCPOJSDSKBOX-DQWSGNQTSA-N	500.280	4.266	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OCC)cc4)c3C)c(=O)n2[C@H]1c1ccccc1	408726932	CYDQUZWYAQZWIY-IAOUMNOZSA-N	569.683	4.383	10	40	KICB	
Cc1cc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)O)c(Br)c3)C2=O)ccc1Br	408764414	RWXKWLKZFTZFBC-LFYBBSHMSA-N	572.593	4.303	10	40	KICB	
COC(=O)c1c(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)c2C)sc2c1CCCC2	408768514	XMRAGLOTWZCYJZ-YBFXNURJSA-N	547.589	4.216	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccccc1F	408937837	PFNFQFMEEUSWJK-DEDYPNTBSA-N	505.458	4.378	10	40	KICB	
Cc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(Br)cc2)C1=O	409072848	LKICKUKWAWEWCN-MOSHPQCFSA-N	516.417	4.269	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCCOc1cc(C)ccc1C	2240245	JYSYKFDTEKMOCX-JCMHNJIXSA-N	504.539	4.415	10	40	KICB	
O=C1/C(=C/c2c(N3CCSCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1Cl	2339208	PPNWUIULLYGVLC-AQTBWJFISA-N	515.085	4.303	10	40	KICB	
CC(C)(C)NC(=O)[C@@H](c1ccc(N2CCOCC2)cc1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21	6074559	BFYMCKYBWFPMFE-HHHXNRCGSA-N	546.697	4.014	10	40	KICB	
COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1C	223147875	BOJPAPYWEOXHIT-FTJBHMTQSA-N	526.106	4.456	10	40	KICB	
COc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Br)ccc2OC(=O)c2ccccc2)C1=O	408532735	IWEOTAWYBPFYDU-JXAWBTAJSA-N	521.323	4.343	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(C(=O)O)cc1	409067584	FQYQDSTWJBQZNZ-VXLYETTFSA-N	596.346	4.310	10	40	KICB	
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C(=N)N21	20205810	XYCKNAOAAZYZMR-ADKIWPJYSA-N	509.396	4.194	10	40	KICB	
CCOC(=O)CC1=NN(c2ccccc2)C(=O)/C1=c1/s/c(=C2\C=Cc3ccccc3N2CC)c(=O)n1-c1ccccc1	100501664	UFJQQGSOIUMAPG-AQENTWCGSA-N	576.678	4.067	10	40	KICB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\Nc3ccc(S(=O)(=O)Nc4ccccc4Br)cc3)C2=O)c1	408527389	DKQGWJYDSPXVMS-XMHGGMMESA-N	569.437	4.446	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	408694627	KZSWVTRUPQDEET-UDWIEESQSA-N	525.989	4.469	10	40	KICB	
COc1cccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c1OCc1ccc(C(=O)O)cc1	409187476	QYIGHYXPSVOIKY-KGENOOAVSA-N	502.548	4.112	10	40	KICB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(C(N)=O)cc1	409243565	SOBMMCNGISTGMX-RGVLZGJSSA-N	512.513	4.043	10	40	KICB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(C)c4)cc3)C2=O)cc1OC	409268669	XJCZGXQKHHSNDO-JLPGSUDCSA-N	543.576	4.476	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(I)c1OCC(=O)Nc1ccccc1	409271465	LGUHKJYTESHRKJ-YBEGLDIGSA-N	540.404	4.148	10	40	KICB	
CC(=O)Nc1cc(Cl)c(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)c(Cl)c1	4830679	FVWOBUHCGTXFMQ-UHFFFAOYSA-N	520.350	4.300	10	40	KICB	
Cc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(=O)n2c1	100762016	QOYOHTWCNCLZDG-HAHDFKILSA-N	533.723	4.182	10	40	KICB	
CCOc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]23)cc1	101850069	FKKUCVYRYMGKQI-YTFSRNRJSA-N	501.922	4.434	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C2=O)cc1	150491682	JJLCHCCIBFAVKR-UDWIEESQSA-N	648.431	4.051	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1	408849978	CCYXRPLOWGESIU-LWUPDDLQSA-N	584.536	4.414	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccc(Cl)cc1	408956712	YBGRIDKWCFIAQN-VXLYETTFSA-N	506.898	4.323	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(OCC(=O)Nc4ccc(C)c(C)c4)c(OC)c3)C2=O)cc1	409249930	JXJJAJHRJRXQNV-UUYOSTAYSA-N	592.004	4.436	10	40	KICB	
COc1ccc(N2CCN(C(=O)c3ccc(CNS(=O)(=O)c4ccc(C(C)(C)C)cc4)cc3)CC2)cc1	937490	YEMJAINJHVHMPH-UHFFFAOYSA-N	521.683	4.434	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccccc1	409071541	GZTWODGTNXTVEM-WOJGMQOQSA-N	683.274	4.496	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1O	409248566	LFSJSYDKTPWJFE-AWNIVKPZSA-N	542.782	4.189	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1C	409257814	QIQPWQVXPBIHLW-UNOMPAQXSA-N	611.392	4.292	10	40	KICB	
COc1cc(/C=C2\SC(=S)NC2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1	409270991	SLKGYJRPIAKXTN-SXGWCWSVSA-N	540.404	4.115	10	40	KICB	
Cc1ccc(C)c(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCC(C)C)c2ccc(N(C)C)cc2)c1	6195590	CRIIUCUTAGZDLN-XMMPIXPASA-N	536.702	4.057	10	40	KICB	
C[C@H]1CN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)C[C@@H](C)O1	16734202	DMILYCJQXMSZDS-VXHYEFCESA-N	506.653	4.271	10	40	KICB	
CCOc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4Cl)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	18077512	WGAISVGMHAGGNC-RJGXRXQPSA-N	501.922	4.434	10	40	KICB	
Cc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(I)c(O)c(I)c3)C2=O)cc1	97960522	LDNAMOWXNKVDLY-WUXMJOGZSA-N	574.112	4.417	10	40	KICB	
CCN(CC)c1ccc(CNC(=O)[C@H]2CN(S(=O)(=O)c3ccc(OC)cc3)c3cc(C)ccc3O2)cc1	224734787	WLSPKCAUZFKMOI-HHHXNRCGSA-N	523.655	4.123	10	40	KICB	
COc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]32)cc1OC	229843800	XELDITCAKQZYMP-ZRBLBEILSA-N	562.372	4.161	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1	409061090	UYVJNNREVNWLJY-GVMLUORFSA-N	596.547	4.478	10	40	KICB	
COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(Br)ccc1O	14414397	NKGJQPDUCDQUHG-AQTBWJFISA-N	502.361	4.087	10	40	KICB	
CCN(CC)c1ccc(CNC(=O)C2CCN(S(=O)(=O)Cc3ccc(Br)cc3)CC2)cc1	225691129	AIPQAVFGSGSAEY-UHFFFAOYSA-N	522.509	4.154	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1	409063958	AXUQOSABTZRYMW-VXLYETTFSA-N	551.895	4.200	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br	409067029	IVJMZEKHVMENAP-LXYLXTGBSA-N	626.573	4.487	10	40	KICB	
CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(N)=O	409227017	XDGAHOGCWZIQCE-UHFFFAOYSA-N	519.941	4.186	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409257838	VLHPYWYMURNLFI-GRSHGNNSSA-N	521.016	4.350	10	40	KICB	
O=C(NN1C(=O)/C(=C/c2ccc(I)cc2)SC1=S)c1ccc(Cl)cc1	409348412	SNNHXDURNFKNOY-ZROIWOOFSA-N	500.770	4.491	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCCOc1ccc(Cl)cc1	2211720	DIXXQXURYHRFFL-STZFKDTASA-N	510.930	4.452	10	40	KICB	
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C(=O)NC2=S)c(OC)c1	59595959	HMZIDOZTTABQLE-MHWRWJLKSA-N	513.915	4.357	10	40	KICB	
O=C(COc1c(Cl)cc(C=C2C(=O)NC(=S)NC2=O)cc1Cl)Nc1ccc(Cl)c(Cl)c1	408550704	GPDCNVJQZVIWHJ-UHFFFAOYSA-N	519.193	4.232	10	40	KICB	
COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1	408773261	QFMKWXFGGQDJQN-YKNQWPHKSA-N	555.425	4.000	10	40	KICB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(F)cc4)c(OC)c3)C2=O)cc1OC	409363672	MBIGLABSXCWLKX-HMAPJEAMSA-N	577.565	4.316	10	40	KICB	
COc1ccc(N2CCOCC2)cc1C(=O)N1CCC2(CCCCc3ccccc3OC[C@@H](C)NC2=O)CC1	643563221	XPLARBRXBSDZAF-HSZRJFAPSA-N	535.685	4.064	10	40	KICB	
CCCCCN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4)CC3)nc3ccccn3c2=O)SC1=S	8741312	HBSVJLSMSOGWSE-QOCHGBHMSA-N	519.696	4.413	10	40	KICB	
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(Cl)c3)C(=N)N21	20206305	XCPVYBLTWJJOAT-YXZMWACZSA-N	509.396	4.194	10	40	KICB	
COC(=O)C[C@H](c1cccc(OC(F)F)c1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	97971891	CXUMQSSTQASROS-CQSZACIVSA-N	530.432	4.284	10	40	KICB	biogenic
CCOc1cccc(N2C(=O)/C(=C/c3cn(Cc4ccc(C(=O)O)o4)c4ccccc34)C(=O)NC2=S)c1	408544562	XBZCHEQBUUJFAO-CIAFOILYSA-N	515.547	4.211	10	40	KICB	
COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc1Br	408744420	ZMWNOWIWVNSYCF-MDWZMJQESA-N	510.207	4.360	10	40	KICB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCC(=O)O)c(OCC)c3)C2=O)cc1OCC	409193433	KOFSBJNRBIBBTI-VCHYOVAHSA-N	652.438	4.003	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	409207546	WNZWPUKSOLZZIN-MOSHPQCFSA-N	545.620	4.327	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc1	409268565	VXNOWUBZHYZJHH-BKUYFWCQSA-N	547.951	4.119	10	40	KICB	
CCCCN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4)CC3)nc3ccccn3c2=O)SC1=S	8859262	MLXOBCQRXFBSGB-UZYVYHOESA-N	505.669	4.022	10	40	KICB	
COc1ccc(NC2=NC(=O)/C(=C/c3cc(I)c(OCC(=O)O)c(I)c3)S2)cc1	208530034	ZRYYVGLVEMZXBU-NVNXTCNLSA-N	636.205	4.450	10	40	KICB	
CCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(O[C@H]3c3ccccc3Cl)C(=O)c3ccccc3C2=O)cc1	250639616	WGAISVGMHAGGNC-ZRBLBEILSA-N	501.922	4.434	10	40	KICB	
COc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OC	408751995	BDJFTVXDNZIAEZ-NTUHNPAUSA-N	524.165	4.204	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408803961	VFGOUSWMEVNXAE-VXLYETTFSA-N	568.336	4.317	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1	408912998	JJFADIQITPIKRC-VXLYETTFSA-N	568.355	4.281	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	408995293	LUJSMDVSSYKKON-NNAGEYCMSA-N	598.725	4.058	10	40	KICB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccc(Cl)c(CN2C(=O)c3ccccc3C2=O)c1	996474	VELYBJMVDULBAO-NDENLUEZSA-N	535.343	4.368	10	40	KICB	
CN1C(=O)C(=Cc2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)C(=O)N(C)C1=O	8424970	ABLUCJRALJQMGR-UHFFFAOYSA-N	526.156	4.364	10	40	KICB	
CC[C@H](C)Nc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O	8769805	ZLSSCWQRMINVPZ-PFHZTYADSA-N	508.625	4.343	10	40	KICB	
CCOCCCN1C(=O)/C(=C/c2c(N3C[C@@H](C)C[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S	26533677	CRJICTMTYYSERK-YVWUKRILSA-N	500.690	4.113	10	40	KICB	
N=C1/C(=C/c2ccc(OCc3ccc4c(c3)OCO4)cc2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12	101149411	TYIQWJXAMXNDBC-OCKHGHBESA-N	531.594	4.016	10	40	KICB	
COc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]32)cc1OC	101156927	RQTMGQSVONNSPC-ZRBLBEILSA-N	517.921	4.052	10	40	KICB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5cccc(C(C)=O)c5)c4C)c(=O)n32)cc1OCC	408939723	UCLYOOKRGZKRMM-HJRUQSCCSA-N	599.709	4.426	10	40	KICB	
COc1ccc(/C=C2\SC(=S)N(CCC(=O)N(Cc3cccc(Cl)c3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1	97947422	LOSALALYMDNQQT-ALFKQNEGSA-N	565.138	4.156	10	40	KICB	
O=C(CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)NCCN1CCN(C(=O)CCCCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)CC1	150435105	NOAXUIJZABILSA-IZDIRFCDSA-N	810.014	4.458	10	40	KICB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccc(N(C)C)cc1	223187351	LVHWBGNUPIFLEB-NSOVKSMOSA-N	518.731	4.250	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1	409015980	ABCCEFVBPQOHJQ-JLHDDXNDSA-N	630.767	4.298	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409029614	BAJGTSXRGSISFV-SPLCHINYSA-N	674.732	4.065	10	40	KICB	
COC(=O)c1ccc(C(=O)OC)c(N/C(C)=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccc(OC)cc2)c1	103922838	FDWDFHCEGWWQNC-JLPGSUDCSA-N	544.520	4.314	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	408537716	WSSSDJHQBZHPSC-YBFXNURJSA-N	566.950	4.260	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3ccc(F)cc3)C2=O)cc1	408809986	LJEDBXOUENCXGB-OEAKJJBVSA-N	518.497	4.256	10	40	KICB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(s/c(=C\c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c2=O)=N1	408827505	KCFBKZHRNMBMDE-YVBHXKDBSA-N	613.692	4.413	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1F	409379199	VJTSPJJYEPGQHI-UNOMPAQXSA-N	640.418	4.457	10	40	KICB	
COc1cccc(N2C(=O)/C(=C\c3ccc(OC)c(COc4ccc(NC(C)=O)cc4)c3)C(=O)NC2=S)c1	100369226	VFPYPEPMGMLHQG-OYKKKHCWSA-N	531.590	4.073	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	408727937	ZXBWLFSPVYDKMR-XQNWCSQWSA-N	557.672	4.223	10	40	KICB	
COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](c3cccc(C)c3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O	100418940	OYLSGWYWXMSVDU-VJBWXMMDSA-N	501.922	4.352	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OC(C)=O)cc4)c3C)c(=O)n2[C@H]1c1ccc(C)cc1	408835673	ZAICYTNCGGXDFM-HRIDGTDGSA-N	569.683	4.440	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409364922	RKTFSBGGFZXFSN-GRSHGNNSSA-N	660.352	4.031	10	40	KICB	
CN(C)c1ccc(Cc2ccc(N(C)C)cc2NS(=O)(=O)c2ccc(N)cc2)c(NS(=O)(=O)c2ccc(N)cc2)c1	1593774	IFRVCUFUYUTTBP-UHFFFAOYSA-N	594.763	4.175	10	40	KICB	
O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1ccc(C(=O)O)c(O)c1	9030151	WATQUUWEMMXRCQ-SXGWCWSVSA-N	507.387	4.083	10	40	KICB	
COc1ccc(OC)c(N2C(=O)/C(=C\c3ccc(OC)c(CN4C(=O)c5ccccc5C4=O)c3)C(O)=NC2=S)c1	97966953	HICQWKKACYAACV-BKUYFWCQSA-N	557.584	4.180	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4cccc(F)c4)c(OC)c3)C2=O)cc1	408885428	ZSTLPSJWCRBCJK-HZHRSRAPSA-N	502.498	4.268	10	40	KICB	
CN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)C(=O)NC1=S	408908708	CVPJSXKFZHDTAZ-AWNIVKPZSA-N	528.197	4.186	10	40	KICB	
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4C)c3C)c2=O)=N1	409029601	BTGCGBBBJJEBKR-BIWBSIMWSA-N	556.644	4.422	10	40	KICB	
Cc1cc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4cccnc4)C3=O)c2C)ccc1I	409236348	FGWWDPPAHLZZAH-ODLFYWEKSA-N	526.334	4.069	10	40	KICB	
COc1ccc(N2CCN(C(=O)CCc3ccc(S(=O)(=O)N[C@@H](C)c4ccccc4)cc3)CC2)cc1	409252205	RFUKPDKILNSGJC-QFIPXVFZSA-N	507.656	4.016	10	40	KICB	
COc1ccc(/C=C2/C(=O)N=C(O)N(c3ccc(C(C)C)cc3)C2=O)cc1CN1C(=O)c2ccccc2C1=O	13775560	DLKJRZKNJOOEBG-IWIPYMOSSA-N	523.545	4.486	10	40	KICB	
COc1cccc([C@H](c2cc3c(cc2O)OCO3)N2CCN([C@@H](c3cc4c(cc3O)OCO4)c3cccc(OC)c3O)CC2)c1O	22859557	NPBGZKJUMNQJMP-ROJLCIKYSA-N	630.650	4.480	10	40	KICB	
O=C1/C(=C/c2c(NCc3ccc4c(c3)OCO4)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1	33355606	SYFJVUZMEAGZGG-JAIQZWGSSA-N	518.576	4.030	10	40	KICB	
Cc1cc(/C=C2\C(=O)Nc3ccccc32)c(C)n1-c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	96022294	GTILDKNFCKJJKO-BWAHOGKJSA-N	532.666	4.208	10	40	KICB	
COc1ccc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)c(OC)c1OC	96114399	WDQVONXNYRWPGM-AWEZNQCLSA-N	506.463	4.044	10	40	KICB	biogenic
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(NC[C@@H](O)c3ccccc3)nc12	97947415	UPHAYWDQYDSTEP-FKYOTISTSA-N	572.668	4.279	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NN(c3ccc(Cl)cc3)C2=O)c(Br)c(Br)c1O	100164336	KQUVPCYWWBSJFT-GHXNOFRVSA-N	516.573	4.431	10	40	KICB	
CC1(C)CC(=O)C(c2cc(NS(=O)(=O)c3ccccc3)ccc2NS(=O)(=O)c2ccccc2)C(=O)C1	100556600	ZYQGEHDINIISQU-UHFFFAOYSA-N	526.636	4.330	10	40	KICB	
Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2	150357805	MOJZMWJRUKIQGL-VIKKCERTSA-N	866.781	4.444	10	40	KICB	biogenic,in-vitro
O=C(NN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)SC1=S)c1ccc(Br)cc1	150401089	ZLUCKDPRGRAGOB-BUHFOSPRSA-N	658.400	4.134	10	40	KICB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(OC)c(O)c(Br)c3Br)C2=O)cc1	408982460	DPUXCABPADBNSA-JYRVWZFOSA-N	524.165	4.155	10	40	KICB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)o1	409193187	DXFLUAAOTOPDEG-IWIPYMOSSA-N	547.589	4.465	10	40	KICB	
Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1cccc(I)c1	409201644	NFZUBFLQCNZLPE-SRZZPIQSSA-N	558.351	4.369	10	40	KICB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCC(=O)Nc4cccc(C)c4)c3)C2=O)cc1OC	409258787	VXZKWOZCNZWAOA-JLPGSUDCSA-N	543.576	4.476	10	40	KICB	
COc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c2)cc1	409385222	GVLQXJBVGUCXHJ-HMAPJEAMSA-N	505.914	4.033	10	40	KICB	
COc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(I)c1O	9232599	WYIPEBWPHKBIAL-MHWRWJLKSA-N	512.394	4.477	10	40	KICB	
COc1cc(/C=C2/C(=O)NN(c3ccc(I)cc3)C2=O)ccc1OCc1ccc(F)cc1	100313094	VPWVKSUOYWHJBA-NDENLUEZSA-N	544.320	4.479	10	40	KICB	
CCN(CC)c1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(Cc2cccs2)C(=O)Cn2nnc3ccccc32)cc1	100336550	SABBRXZRAHQZII-GIGWZHCTSA-N	560.724	4.404	10	40	KICB	
N=C1/C(=C/c2ccc(OCCOc3ccccc3Cl)cc2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12	101044971	JVIYSEBEEVBEND-SWSXQLPQSA-N	538.029	4.429	10	40	KICB	
COc1cc(COc2ccc(Cl)cc2C=C2C(=O)NC(=S)NC2=O)ccc1OCc1ccccc1	408536616	AEFVQJJEDAOJST-UHFFFAOYSA-N	508.983	4.421	10	40	KICB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(OCc2cccc([N+](=O)[O-])c2)c1	408802227	YOOMNTZJFKKLFM-YDZHTSKRSA-N	501.495	4.466	10	40	KICB	
COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1	408865891	FEEISRPJWSMILP-OEAKJJBVSA-N	542.997	4.297	10	40	KICB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)cc2)cc1	408897402	RYQTUQDWEHRSNE-KGENOOAVSA-N	541.379	4.192	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OS(=O)(=O)c1ccccc1	409195984	LWSIRNGHNIXVNZ-STZFKDTASA-N	500.623	4.419	10	40	KICB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	409406735	KWGULDKFPXTLLX-ODLFYWEKSA-N	524.327	4.406	10	40	KICB	
Cc1ccc(CN2C(=O)[C@H]3[C@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	2323112	BLAATVRAIPYQGN-VJBWXMMDSA-N	530.374	4.448	10	40	KICB	
Cc1cc([C@@H]2NC(N)=Nc3nc4ccccc4n32)c(C)n1-c1cc(C(F)(F)F)ccc1N1CCOCC1	12571929	QQSUZQCVCKQSON-HSZRJFAPSA-N	509.536	4.396	10	40	KICB	
CN1C(=O)[C@@]2(c3cc(Cl)ccc31)N(C)C[C@H](c1ccccn1)[C@@]21SC(=S)N(Cc2ccccc2)C1=O	101414029	ZBUYIQUXICGXFL-UIFDUCBYSA-N	535.094	4.435	10	40	KICB	
CN1C(=O)C(=Cc2cc(Br)c(OCc3cccc(F)c3)c(I)c2)C(=O)N(C)C1=S	103856319	OVDLOGKGMPTEFS-UHFFFAOYSA-N	589.224	4.371	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1	408803868	UGAAGAMGZIEXTP-HYARGMPZSA-N	545.504	4.026	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4Br)cc3)C2=O)cc1	408890253	QJBVUYVIFHEVHB-KGENOOAVSA-N	535.350	4.481	10	40	KICB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(OCC(=O)Nc2cccc(C)c2)c1	409043726	ADUSRWLXBURQRF-LPYMAVHISA-N	519.941	4.341	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	409056668	SPVMSQFFUXANAC-GOOXQAOHSA-N	508.043	4.052	10	40	KICB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(Cl)cc4)cc3)C2=O)cc1C	409063901	FCWANUPIQXIYLO-HYARGMPZSA-N	510.955	4.391	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OS(=O)(=O)c1ccccc1	409064078	GBVNAIYHOLVNNT-XMHGGMMESA-N	540.981	4.481	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)Nc4ccccc4C)c(OC)c3)C2=O)cc1	409263561	HRABOGAUVLDFDD-UDWIEESQSA-N	549.967	4.350	10	40	KICB	
COc1ccccc1NC(=O)COc1ccccc1/C=C1/C(=O)NC(=O)N(c2cccc(Cl)c2C)C1=O	409380368	LSGQVRUPJSMKEX-JXAWBTAJSA-N	519.941	4.341	10	40	KICB	
O=C(COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl)Nc1ccccc1F	409383411	URQYJHFQFZSAHZ-BOPFTXTBSA-N	538.875	4.071	10	40	KICB	
COc1ccc2c(c1)C=C[C@H]1N2[C@@H](C(C)=O)[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12	9009272	LJXNRCKOTYLNFS-NANFOGFDSA-N	509.518	4.166	10	40	KICB	
Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)ccc1Cl	10112151	RHLJHPUSRAEOCK-UHFFFAOYSA-N	500.020	4.216	10	40	KICB	
COc1ccc(N2CCN(C(=O)CN(c3ccccc3Cl)S(=O)(=O)c3ccc(C)cc3)CC2)cc1	20061068	PRJSGPAYLXZYRG-UHFFFAOYSA-N	514.047	4.201	10	40	KICB	
CCOCCCN1C(=O)/C(=C\c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	100860345	CQEKYOPWRSBJFA-HAVVHWLPSA-N	567.712	4.096	10	40	KICB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(C)n(-c5ccc(F)cc5)c4C)c(=O)n32)cc1OCC	408954485	XCWFFCBYIXWMOO-MSHBYRINSA-N	575.662	4.362	10	40	KICB	
CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(s/c(=C/c3ccc(N4CCCC4)c(C)c3)c2=O)=N1	409051113	ADAIPEDKHCSDDX-LCQSEVKBSA-N	559.688	4.216	10	40	KICB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cccc(OS(=O)(=O)c2ccc(Cl)cc2)c1	409064352	DCLYTXBJXHCJPX-NDENLUEZSA-N	517.346	4.428	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OS(=O)(=O)c1ccccc1	409072941	UIEOOURKFMLPCV-PXLXIMEGSA-N	520.563	4.136	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C	409254071	WKRPDQCVMBABDI-NDENLUEZSA-N	514.625	4.314	10	40	KICB	
CCCCN1C(=O)/C(=C\c2c(N3CCN(c4ccc(F)cc4)CC3)nc3c(C)cccn3c2=O)SC1=S	100860265	JAYRHIMXPFMATP-OQKWZONESA-N	537.686	4.470	10	40	KICB	
CN(C)c1ccc(/C=C2\N=C(c3ccc(NC(=O)c4cncc(Br)c4)cc3)OC2=O)cc1[N+](=O)[O-]	100948007	GKAGXTJDKNRHSA-OCKHKDLRSA-N	536.342	4.415	10	40	KICB	
COc1ccc([C@@H]2CN(C)[C@@]3(C(=O)N(C)c4ccc(F)cc43)[C@]23SC(=S)N(Cc2ccco2)C3=O)cc1OC	102871990	OZJVRWZLISMEPM-IIZLTXOPSA-N	567.664	4.136	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	163724409	KBBSDWATBODXJG-VPHSIRQSSA-N	659.677	4.482	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCc1ccccc1F	408949654	IPHRBPNDPRMIGI-CAOOACKPSA-N	524.888	4.462	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(C)c(Cl)c4)c(OC)c3)C2=O)cc1	409264580	MJFFXDWZIABDJW-CIAFOILYSA-N	549.967	4.350	10	40	KICB	
CCOC(=O)c1c(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccncc4)C3=O)c2C)sc2c1CCCC2	409392162	LQSTVXGWQFDWEM-XSFVSMFZSA-N	518.595	4.273	10	40	KICB	
C[C@H]1CCCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)C1	16700398	BHUFZMNJPDMBMP-IXGURIBZSA-N	520.636	4.061	10	40	KICB	
COc1ccc(N2CCN(c3cc(SCC(=O)Nc4ccc(OC)c(Cl)c4)ncn3)CC2)cc1	49006847	OYIZECLOHWQZEE-UHFFFAOYSA-N	500.024	4.205	10	40	KICB	
CCCOc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc1OC	100182881	QJOYPAIFFMKKBH-BOPFTXTBSA-N	550.349	4.154	10	40	KICB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(OCC)cc1	100303586	LUALQZHHEXBQBW-ZMVORIFESA-N	553.684	4.400	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	100618797	LLGMWSAJYZKZLM-ZFWDJNJRSA-N	628.545	4.144	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)c(NCCCN3CCOCC3)nc12	100774561	WHZQAKMTFFTIGQ-SEDGDDRASA-N	549.722	4.100	10	40	KICB	
O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1	408694878	NMXFVBZUNRRJKZ-XDHOZWIPSA-N	513.344	4.131	10	40	KICB	
CCOc1cccc(N2C(=O)/C(=C/c3cc(Br)c(O)c(Br)c3)C(=O)NC2=S)c1	408739936	GVNKWFHYLHENPL-AWNIVKPZSA-N	526.206	4.147	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)NC2=O)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408752322	HTBLVSFHDWLFGD-NVNXTCNLSA-N	545.414	4.013	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	409062146	OKLHJBXFQOLQBC-RYOBIWAXSA-N	561.704	4.114	10	40	KICB	
CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3C)c2C)C1=O	409233593	SZXSWUBHFSNUOL-BUVRLJJBSA-N	514.582	4.283	10	40	KICB	
CCN(CC)c1ccc(/C=C2\SC(=S)N(C)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1	409338430	JSPHZZDZGLJIEQ-JAIQZWGSSA-N	500.602	4.290	10	40	KICB	
COc1ccc(CCN2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)cc1OC	2396513	ZXFIDNSBIHTZAN-PXLXIMEGSA-N	507.974	4.469	10	40	KICB	
CCc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NCc1ccccc1)c1ccc(N(C)C)cc1	6135428	GWPXOMHPWUWASR-AREMUKBSSA-N	556.692	4.157	10	40	KICB	
CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Br)c1OCCOc1ccc(C)c(C)c1	100270108	PPOARCUJIGHHGL-UHFFFAOYSA-N	531.403	4.356	10	40	KICB	
COC(=O)c1c(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccc(N(C)C)cc3)C2=O)sc(C)c1C	102864799	RYPUVJTXNMPBRA-RJGXRXQPSA-N	505.596	4.269	10	40	KICB	
O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(I)c(O)c(I)c1	408723443	UYLMOHIXHZORPW-NYYWCZLTSA-N	610.598	4.086	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OC(C)C	408815484	RKVYUZDSFGHSMY-CXUHLZMHSA-N	520.323	4.062	10	40	KICB	
COCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C)c([N+](=O)[O-])c3)c2C)C(=O)N(c2ccccc2)C1=O	409013590	BRISWHQZDGKRPJ-HAHDFKILSA-N	502.527	4.336	10	40	KICB	
COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1	409184628	HPGUGJSLSKESMY-WPWMEQJKSA-N	571.630	4.075	10	40	KICB	
COc1ccc(N2CCN(C(=O)CCCNc3ccc4c(cc3=O)[C@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)CC2)cc1	252537468	LGTPUXVLDWDXDA-GDLZYMKVSA-N	644.769	4.413	10	40	KICB	
O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1	408692060	CLOQJMRQTVHGKJ-WOJGMQOQSA-N	561.332	4.183	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4)c(OC)c3)C2=O)cc1	408817818	WJGKIVYITGRCNF-UDWIEESQSA-N	520.925	4.381	10	40	KICB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)c(O)c(Br)c1	409050085	YRBLAOYECQIHJN-NYYWCZLTSA-N	500.530	4.237	10	40	KICB	
COc1cc(/C=C2\SC(=S)NC2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409240105	JPZGMPSFXWBMDD-MFOYZWKCSA-N	554.431	4.423	10	40	KICB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(Br)c(OC(C)C)c(OC)c2)C1=O	409255095	XVDXJOFSVOVIOB-XNTDXEJSSA-N	503.349	4.310	10	40	KICB	
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)CN3C(=O)c4ccccc4C3=O)c3cc(OC)ccc32)S1	8456451	MNOAIRNZRJJMKP-UHFFFAOYSA-N	624.718	4.193	10	40	KICB	
COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccc(Cl)cc2)OC32C(=O)c3ccccc3C2=O)c(OC)c1	101481884	VLTDOEGPIAJZCF-DNVJHFABSA-N	517.921	4.052	10	40	KICB	
O=C1[C@@H]2[C@@H](c3ccccc3O)N[C@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@@H]2C(=O)N1c1ccc(Br)cc1	102782395	YHCPPBZNPZUVIH-UKWMHNODSA-N	560.404	4.152	10	40	KICB	
COC(=O)c1c(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)c2C)sc2c1CCCC2	408779514	XNDHSHVMIWUHMZ-KGENOOAVSA-N	533.606	4.496	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c(Br)cc1OCc1ccc(Br)cc1	408913123	KVHPNGCEYQKUPH-VGOFMYFVSA-N	540.233	4.056	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409024877	YPCWJTZJFDNRBA-UAMLYEQYSA-N	600.741	4.289	10	40	KICB	
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3cc(C)n(-c4ccc(OC(C)=O)cc4)c3C)c2=O)=N1	409031809	BKLSXGMSXRSUPV-ASZNLBCTSA-N	555.656	4.131	10	40	KICB	
COc1ccc(CN2C(=O)[C@@]3(SC2=S)[C@@H](c2ccco2)CN(C)[C@]32C(=O)N(C)c3ccc(F)cc32)cc1	97957160	GYDZPKJRCCKGEO-UIFDUCBYSA-N	537.638	4.128	10	40	KICB	
COc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]23)cc1OC	100562397	XELDITCAKQZYMP-VJBWXMMDSA-N	562.372	4.161	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OCc1ccc(C)cc1	408805570	GUDMCGMDRSUHOX-HZHRSRAPSA-N	514.534	4.426	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OC(C)C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	409014284	IIUCYYZBSQBMQL-XSZPGNIMSA-N	584.536	4.414	10	40	KICB	
CC[C@@H](C)N1C(=O)/C(=C/c2c(N3CCN(c4ccccc4OC)CC3)nc3ccccn3c2=O)SC1=S	100844047	ONUMBXUTDGJCCM-LFTLAFEGSA-N	535.695	4.029	10	40	KICB	
COc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)ccc1OCc1ccc(F)cc1	102475563	WXVDOEVQDFENFC-DEGVDWGGSA-N	535.601	4.435	10	40	KICB	
CCOC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1I	408775601	JBKSJKBUPNJGCM-LZYBPNLTSA-N	674.229	4.121	10	40	KICB	
Cc1cc(NC(=O)COc2ccc(/C=C3\SC(=S)N(CCC(=O)O)C3=O)cc2)ccc1Br	409259837	GISXZGFIYIMDTA-WQRHYEAKSA-N	535.441	4.451	10	40	KICB	
CC1=NN(c2ccccc2)C(=O)/C1=c1/s/c(=C2\Sc3ccccc3N2C)c(=O)n1-c1ccc(C)cc1	4063580	UBDLTCBONWFEHM-YFMKTMAWSA-N	510.644	4.089	10	40	KICB	
COc1ccc(CCN2C(=O)/C(=C/c3c(N4CCC(C)CC4)nc4ccccn4c3=O)SC2=S)cc1	8857886	OWHUAHAPDQDXFK-XLNRJJMWSA-N	520.680	4.383	10	40	KICB	
COc1ccc(N2CCN(C(=O)CN(c3ccc(Cl)cc3C)S(=O)(=O)c3ccccc3)CC2)cc1	20060705	YRJQESRWFLHDBF-UHFFFAOYSA-N	514.047	4.201	10	40	KICB	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1	59929279	UEKKKWBUZZKWCW-XMMPIXPASA-N	548.492	4.240	10	40	KICB	
Cc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1	100863369	JAVQTLDPNYGVMZ-ULJHMMPZSA-N	545.734	4.469	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccccn4)c(OC)c3)C2=O)cc1	101090268	WKEBQNFBDCDQQC-YBFXNURJSA-N	538.354	4.107	10	40	KICB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c1C	223233092	HNAWRFWRRJJIEY-DQEYMECFSA-N	508.648	4.330	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(Sc4nccc(C)n4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	409271982	XBKHSTYARFBEQD-XOYGFPHKSA-N	640.585	4.469	10	40	KICB	
O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1)[C@@H](c1ccccc1O)N[C@]2(Cc1c[nH]c2ccccc12)C(=O)O	102780387	RGTNXIYIQXCACV-MUCKBHKGSA-N	515.953	4.043	10	40	KICB	
O=C(COC(=O)C[C@@H]1Sc2ccccc2NC1=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O	103128051	ZXOGYRWSPCOGII-NRFANRHFSA-N	520.950	4.100	10	40	KICB	
COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)c1	223186057	GRACKDLTKRWRRE-RRPNLBNLSA-N	505.688	4.193	10	40	KICB	
O=C(O)COc1ccc(Br)cc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2Cl)C1=O	408852751	WDSQUFBPIXVJCZ-YRNVUSSQSA-N	530.183	4.051	10	40	KICB	
COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1	409010970	GNEFEPBVSISSGP-MFKUBSTISA-N	527.577	4.337	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C(C)C)c(OC)cc3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	409019854	YRAOSLROBRQHSP-QTTRZTASSA-N	533.694	4.305	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OS(=O)(=O)c4ccccc4)c(OC)c3)C2=O)cc1	409068686	BNXNZAAZPJNQCG-DEDYPNTBSA-N	648.431	4.133	10	40	KICB	
Cc1ccc2nc(N3CCN(c4ccccc4)CC3)c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(=O)n2c1	1450281	KNJYBCRTSHMMMT-JCMHNJIXSA-N	519.696	4.187	10	40	KICB	
COc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)c1C	9281436	GYQMWRASBQJKAM-OPATVOHWSA-N	504.616	4.125	10	40	KICB	
COc1ccc(N2CCN([C@H](c3cc4cc(C)cc(C)c4[nH]c3=O)c3nnnn3C3CCCC3)CC2)cc1	19940285	AZQUUDFJXUKUNC-HHHXNRCGSA-N	513.646	4.167	10	40	KICB	
O=C1[C@H]2[C@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(F)c([N+](=O)[O-])c1	100635164	YFYHYKXNBBWWIL-HKBOAZHASA-N	520.856	4.082	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	408694887	NNVHIYPTBXHRSK-YBFXNURJSA-N	574.403	4.409	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	408997059	QKBHADFPCPLLHA-LMSRTUJASA-N	592.073	4.476	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1F	409408853	RWMXOLXPAYFKRI-PDGQHHTCSA-N	554.372	4.466	10	40	KICB	
Cc1ccccc1OCCn1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c2cc(Br)ccc21	59087222	CSTXFWLXDLSUTA-UHFFFAOYSA-N	512.429	4.390	10	40	KICB	
O=C1N=C(O)/C(=C\c2cc(Br)c(O)c(I)c2)C(=O)N1c1ccc(F)cc1	97960561	ARPAOZIXBFUZSM-VZUCSPMQSA-N	531.075	4.405	10	40	KICB	
Cc1ccc(C(C)C)c(OCCOc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)c1	101393658	QHWLELMSWXCSKQ-NKFJNAIASA-N	526.640	4.197	10	40	KICB	
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C	103093693	GQOSGYRSUJNXDW-UHFFFAOYSA-N	587.467	4.476	10	40	KICB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)o1	409145253	NRJAPYFOJQGZFM-IWIPYMOSSA-N	547.589	4.465	10	40	KICB	
COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2cccc(Br)c2)C1=O	409228597	ZUFCTTKTYZAZOL-XDHOZWIPSA-N	500.418	4.279	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccc(Br)cc1	409337307	TXYVLYJHHUSERG-GJFKPFFXSA-N	584.536	4.416	10	40	KICB	
CCCCN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4)CC3)nc3c(C)cccn3c2=O)SC1=S	8859444	OKSPVHJOMYTHFN-PYCFMQQDSA-N	519.696	4.331	10	40	KICB	
COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)ccc1NS(C)(=O)=O	225419217	DPGWXCFJQNMBQR-CLJLJLNGSA-N	548.694	4.441	10	40	KICB	
COc1ccc(C(=O)NN2C(=O)/C(=C\c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)SC2=S)cc1	409329679	GYGHGWASEYUMMQ-FYJGNVAPSA-N	507.593	4.347	10	40	KICB	
Cc1ccc(NC(=O)COc2c(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc(Cl)cc2[N+](=O)[O-])cc1	409400096	OTYPTFIBMISYOV-NDENLUEZSA-N	506.902	4.036	10	40	KICB	
Cc1ccc(NC(=O)Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(=O)O)cc4)C3=O)c3ccccc32)cc1	100357629	UZDKFNNPCSOXFN-OEAKJJBVSA-N	538.585	4.118	10	40	KICB	
N=C1/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12	102764375	CPZYESKCENXNAH-DEGVDWGGSA-N	547.040	4.211	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1OC	408991770	YNIZECGXFIYWOZ-KEPJHFNWSA-N	615.708	4.010	10	40	KICB	
CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1	409012729	RPJYZBYPFUSXIE-LFVJCYFKSA-N	522.579	4.034	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1	409043149	QAUPEBFAUDSTMZ-FYJGNVAPSA-N	641.418	4.382	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@H]1c1ccc(SC)cc1	409057944	LZXKOQOTMZFJNN-ASSGYOTOSA-N	533.719	4.429	10	40	KICB	
CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	100415003	PBDLFARXVVBXFR-RJGXRXQPSA-N	559.372	4.103	10	40	KICB	
COC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I	164451804	ZEJDRDDVMLVXGO-AWNIVKPZSA-N	664.044	4.034	10	40	KICB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O	408865868	GDFNBNYCQUNHTH-STZFKDTASA-N	501.495	4.411	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)cc4)c(Br)c3)C2=O)cc1	408885236	YOHIKQRTTJRHDT-KGENOOAVSA-N	613.442	4.368	10	40	KICB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@H]1c1ccccc1OC	409095057	BDGVTQYWKRNOLG-NNAGEYCMSA-N	598.725	4.218	10	40	KICB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409100758	WQHZDXNELJGNEF-UAMLYEQYSA-N	629.739	4.437	10	40	KICB	
COC(=O)COc1cc(Br)c(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC	409329251	CUAXOWCKTRVVIC-IUXPMGMMSA-N	539.385	4.324	10	40	KICB	
COc1ccccc1NC(=O)COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O	409372111	YARCUHROOHSDBT-XMHGGMMESA-N	550.365	4.142	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](c4ccc(CC)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	96298814	RYWBKIOCJMLTKQ-DSITVLBTSA-N	523.541	4.121	10	40	KICB	
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Cl)cc(I)c1O	100455570	AGASUPHWKJLDIO-WUXMJOGZSA-N	547.530	4.079	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1ccc(F)cc1	100746588	MTDKLOZOPGSNNU-GVMLUORFSA-N	533.600	4.484	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	100952628	XIAASBKOIQQDML-VXLYETTFSA-N	615.336	4.159	10	40	KICB	
CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3CC)C2=O)cc1I	408904405	IZYIPBIARMMCSG-RVDMUPIBSA-N	506.365	4.084	10	40	KICB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=S)N(NC(=O)c4cccs4)C3=O)cc2)cc1[N+](=O)[O-]	409349832	WKGBIATWDHNWLA-ODLFYWEKSA-N	561.644	4.279	10	40	KICB	
CCCN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4F)CC3)nc3c(C)cccn3c2=O)SC1=S	1449952	AMXVWRRHKIFQAC-PGMHBOJBSA-N	523.659	4.080	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1	105498788	CUSMOROJVHQOOO-ZGOFBEGVSA-N	545.636	4.354	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1	105498791	CUSMOROJVHQOOO-BIWBSIMWSA-N	545.636	4.354	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1cccc(C(=O)O)c1	408903647	VJBNMZGMNHYVGP-VXLYETTFSA-N	524.888	4.431	10	40	KICB	
COc1ccc(NC(=O)COc2c(Br)cc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)cc2OC)cc1	409374944	BXYFYIIDLLCAIT-RGVLZGJSSA-N	598.381	4.289	10	40	KICB	
O=C(CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)Nc3ccc(F)cc3)C2=O)SC1=S)Nc1ccc(F)cc1	101002398	HKRMZNFLVUFMSL-FMQUCBEESA-N	592.696	4.254	10	40	KICB	
CCN(CC)c1ccc(CNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	223218181	GKQRUYBZGHTHJK-UHFFFAOYSA-N	511.644	4.062	10	40	KICB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(C)n(-c5ccc(F)cc5)c4C)c(=O)n32)cc1OCC	408954484	XCWFFCBYIXWMOO-FZLFTDMCSA-N	575.662	4.362	10	40	KICB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)c(NC)c(I)c3)C2=O)cc1	408982326	DFOLTWCQBMQJHX-ZSOIEALJSA-N	601.182	4.166	10	40	KICB	
Cc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	409139798	BQGYGNNLNFBVAP-XBPUZACXSA-N	528.656	4.219	10	40	KICB	
O=C(NN1C(=O)/C(=C\c2cc(I)c(O)c(I)c2)SC1=S)c1cccs1	409329880	IEGIYBDFUDMWBY-IZZDOVSWSA-N	614.249	4.209	10	40	KICB	
COC(=O)COc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccc(N(C)C)cc2)C1=O	409343937	DWUHSZIDCMXPGC-WOJGMQOQSA-N	507.431	4.473	10	40	KICB	
COc1ccc(CN2C(=O)/C(=C/c3c(N4CCN(Cc5ccccc5)CC4)nc4ccccn4c3=O)SC2=S)cc1	97946306	WYNXWYMNMRAXLU-XHPQRKPJSA-N	583.739	4.427	10	40	KICB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)C1=O	409243336	VRZMCUFKVXFHRN-CPNJWEJPSA-N	504.499	4.076	10	40	KICB	
Cc1ccc(C)c(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1	409262843	JEZVCKXNQSRBSY-BKUYFWCQSA-N	564.392	4.455	10	40	KICB	
COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4F)c(Cl)c3)C(=O)NC2=S)cc1	409382243	ZKWZUEQRJKLRRP-LDADJPATSA-N	539.972	4.337	10	40	KICB	
O=C(NC1CCCC1)[C@@H](c1ccc(O)c(O)c1)N(C(=O)Cn1nnc2ccccc21)c1cnc2ccccc2c1	902569	SDXHNQYAENTLER-GDLZYMKVSA-N	536.592	4.224	10	40	KICB	
Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C/Nc2c(C)nn(Cc3ccccc3)c2C)C1=O	59858858	BBIQRLGNNUBISP-UNOMPAQXSA-N	508.376	4.198	10	40	KICB	
N=C1/C(=C\c2ccccc2OS(=O)(=O)c2ccccc2)C(=O)N=C2SC(COc3ccccc3)=NN12	100266835	KYDCWFAUSSEUSI-SUYASHRRSA-N	518.576	4.152	10	40	KICB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c1C	409015882	CEBDRDQNYWSWFS-CIAFOILYSA-N	504.568	4.459	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1	409056678	SPVMSQFFUXANAC-KZVLXBEFSA-N	508.043	4.052	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(Cl)cc1	409072055	ALVAPDVZJWBGGL-XDHOZWIPSA-N	547.372	4.436	10	40	KICB	
COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1ccc([N+](=O)[O-])cc1	8861625	IMQCIVHHRCJOJB-JLFKZYKSSA-N	509.544	4.336	10	40	KICB	
CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(C(=O)OCCN(CC)CC)cc3)C2=O)cc1	101002562	DZLYEFLIJCGRIB-QJOMJCCJSA-N	541.695	4.424	10	40	KICB	
Cc1ccc(CN2C(=O)[C@@H]3[C@@H](c4ccc(I)cc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1	101078088	RKMGYIRQIVYSRR-YTFSRNRJSA-N	577.374	4.290	10	40	KICB	
COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)c1	223185940	GRACKDLTKRWRRE-KAYWLYCHSA-N	505.688	4.193	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	408873266	RVQUKGQHUHPJCK-STZFKDTASA-N	503.536	4.404	10	40	KICB	
O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Cl)Nc1ccc(F)cc1	408903300	QJULXBQJTALKRP-YBFXNURJSA-N	511.868	4.302	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1OC	409016838	ADIBPQUFYBSLTD-KAEGSSFASA-N	629.735	4.318	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1	409051416	AACRDKQJYWKWDB-QXHVWWCLSA-N	522.070	4.442	10	40	KICB	
O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccccc1	409069353	KNGOXMJPDHWUAN-WOJGMQOQSA-N	533.345	4.133	10	40	KICB	
COc1ccccc1NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC	409380162	JJWSXMFYKHTRIL-XDHOZWIPSA-N	535.940	4.041	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1cccc(C(=O)O)c1	2156191	XBNPFXFHUMYNNG-LPYMAVHISA-N	500.507	4.256	10	40	KICB	
CCCCOC(=O)CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)OCCCC)C2=O)SC1=S	17596066	WKFAYNMFGPXVRK-ISLYRVAYSA-N	546.758	4.166	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1	97959678	TVPHCEMSZUQUIZ-XXMKCSCWSA-N	582.520	4.170	10	40	KICB	
COc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]23)cc1OC	100562386	RQTMGQSVONNSPC-RJGXRXQPSA-N	517.921	4.052	10	40	KICB	
COC(=O)c1cc(N/C(C)=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccc(OC)cc2)cc(C(=O)OC)c1	103922788	ZGVXNMAYSISPRU-JLPGSUDCSA-N	544.520	4.314	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(C(=O)O)cc1	408776544	PFJKLGRYIJEMCN-HYARGMPZSA-N	500.507	4.337	10	40	KICB	
O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1	408812072	LDJQRBZVDMNHIW-UDWIEESQSA-N	538.310	4.308	10	40	KICB	
O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Br)Nc1ccc(F)cc1	408855426	MUTJOZTWNPPHOY-GIJQJNRQSA-N	582.338	4.001	10	40	KICB	
CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCCC5)cc4C)c(=O)n32)cc1	409062199	PMMPOJNPNYABEW-OXWVMCNISA-N	545.705	4.494	10	40	KICB	
CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1Br	409188944	KZTNPBYOPPRMMS-SEJMYLSOSA-N	503.374	4.156	10	40	KICB	
CC[C@@H](C)Oc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1OC	409189478	PKTGCENIPMGCMO-GFQQVXNGSA-N	533.400	4.165	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1	409249645	KUKNQKCHESGZSH-BOPFTXTBSA-N	551.440	4.151	10	40	KICB	
Cc1ccc2nc(N3CCCCC3)c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1	2361365	PTSCWIIUAVTCBT-MTJSOVHGSA-N	520.636	4.123	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1ccccc1	8440638	UDAQUGISLYDNFS-MKWGYRPRSA-N	515.610	4.345	10	40	KICB	
Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]23)cc1	18122595	IJOBVPOSOHDULB-FDFHNCONSA-N	516.347	4.453	10	40	KICB	
COc1cccc(/C=C2/C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2O)c1OCC(=O)Nc1ccc(F)cc1	97960563	AXKVJBKBFQNTJK-YBFXNURJSA-N	533.468	4.087	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	100618556	PPBKMKBSRGJJCX-UPWSPCOFSA-N	575.662	4.362	10	40	KICB	
CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C(=O)OCC)cc2)o1	409015490	RGUIFSSZBTYMPA-YZSQISJMSA-N	585.613	4.287	10	40	KICB	
COc1ccc(OC)c([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCCC5)c(C)c4)c(=O)n32)c1	409061886	JPRWLHFQVCVBKT-PRLWALMFSA-N	561.704	4.113	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OS(=O)(=O)c1ccccc1	409068378	GBOHSZDHUCPVIR-YBFXNURJSA-N	616.402	4.190	10	40	KICB	
COc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(N(C)C)cc2)C(C(=O)Nc2ccccc2C)=C(C)N=3)cc1	8450609	IHIKPMIWPXWBDH-IAOUMNOZSA-N	538.673	4.257	10	40	KICB	
Cc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c(C)n1-c1cccc2ccccc12	101234645	BLRPHYQFLSGWSN-CGYHDWOCSA-N	526.622	4.115	10	40	KICB	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCSc1ccc(C)cc1	101393745	CRVMVNNYJGKSON-LCQIMXFNSA-N	544.680	4.186	10	40	KICB	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4)cc3)C2=O)c1	103846347	JXRKSCRQZSQZHO-XQNSMLJCSA-N	529.549	4.168	10	40	KICB	
COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(OCC(=O)NCc2ccco2)cc1	408771734	BWYDDQIAYQKQSZ-MYYYXRDXSA-N	500.551	4.469	10	40	KICB	
O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1	409075124	UUQSCZUWXDKJDJ-WOJGMQOQSA-N	577.796	4.242	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409089879	KWBOLELIBOZIGI-XDHOZWIPSA-N	576.474	4.147	10	40	KICB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c1C	409145615	QKZOYSPUJGSNSG-UDWIEESQSA-N	504.568	4.459	10	40	KICB	
COc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)cc2)cc1	409379305	VZQZUBQWYXUCLK-HYARGMPZSA-N	550.365	4.142	10	40	KICB	
Cc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c(C)n1-c1ccc2ccccc2c1	101150622	DSGOZPWEPUALAY-HUEMJPGFSA-N	526.622	4.115	10	40	KICB	
Cc1csc(NC(=O)CCCN2C(=O)/C(=C3\SC(=S)N(CCCC(=O)Nc4nc(C)cs4)C3=O)SC2=S)n1	150409728	BLLMNQBIJIGRGI-FOCLMDBBSA-N	626.858	4.286	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1	408948403	FZZRBORIAIMECM-DJKKODMXSA-N	673.391	4.242	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(Cc4ccccc4Cl)c4ccccc43)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	409387422	IOOKSYXLJJQGOH-TXTDGAROSA-N	613.139	4.435	10	40	KICB	
COc1ccc2c3c(n(CCC(=O)Nc4ccc(NC(C)=O)cc4)c(=O)c2c1OC)-c1ccccc1C3=O	604403955	FPHBVKDXBAIVQN-UHFFFAOYSA-N	511.534	4.217	10	40	KICB	biogenic
CCN1C(=O)/C(=C\c2cn(CC(=O)N3[C@H](C)CCC[C@H]3C)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21	8778043	RNAQMGLCSPQXPB-UYDUDSENSA-N	590.746	4.359	10	40	KICB	
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCOCC3)cc2)c2ccc(C(C)C)cc2)cc1	10113332	POSKEGHKHRHIMC-UHFFFAOYSA-N	521.683	4.467	10	40	KICB	
CCOc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC	103858866	IMEAXVFZOLUJAT-RIYZIHGNSA-N	524.165	4.285	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)ccc1OC(=O)c1cccc(C)c1	408536661	SKAMRGVJWWNDRT-HYARGMPZSA-N	500.507	4.288	10	40	KICB	
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)c3cnccn3)c3c(C)cccc32)S1	408734835	FRAXBWXHTHRUBS-UHFFFAOYSA-N	527.649	4.300	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccccc3Br)C2=O)cc1	408879705	DWWJZPPMSREHOC-XSFVSMFZSA-N	535.350	4.481	10	40	KICB	
CN(C)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)cc1Br	409272373	GJBHWRKBPOSUOP-STZFKDTASA-N	545.459	4.027	10	40	KICB	
CCOCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CCc2ccccc2)C1=O	8859275	JEOMYXVYLOCWQD-FXBPSFAMSA-N	508.669	4.285	10	40	KICB	
COc1ccc(N2CCN([C@@H](c3cc4cccc(C)c4[nH]c3=O)c3nnnn3C3CCCCC3)CC2)cc1	19826314	ZNVGQEIKVRMFOC-MHZLTWQESA-N	513.646	4.248	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1	409055025	HQYBFAFQVSZAJZ-UDWIEESQSA-N	505.914	4.033	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409230778	GKAUPWVFVOWKEP-YVLHZVERSA-N	569.430	4.290	10	40	KICB	
CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C/N1CCN(/C=C2/C(=O)N(c3ccc(C)cc3C)N=C2C)CC1	33744586	YXQHRSFPAXBOKJ-RPCRKUJJSA-N	510.642	4.451	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	408806890	NNVKNXMMYJFYRA-FYJGNVAPSA-N	501.495	4.466	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc(C(=O)O)cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	408837858	PABIFVJGDNCYIW-HDFSHUSISA-N	597.693	4.142	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409034205	MSWMDZBCLNZGDZ-JESJEVRBSA-N	672.804	4.222	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1	409060282	ZEXFPRCXFYXCBQ-UDWIEESQSA-N	627.391	4.079	10	40	KICB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(COc4ccc(F)cc4F)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	8450814	IWEBKMGVDZWIMQ-QUNTYYFUSA-N	605.663	4.340	10	40	KICB	
C[C@H](N1C(=O)NC(=O)/C(=C\c2cc3c(cc2Br)OCO3)C1=O)C12CC3CC(CC(C3)C1)C2	16576060	JQAVWIXITCNQEF-PKBCWMSCSA-N	501.377	4.245	10	40	KICB	
COc1cc(/C=C2/SC(=S)N(CCCCC(=O)O)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	97990671	MSYMJUVDHOZRKA-XSFVSMFZSA-N	521.638	4.227	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OCC)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OC	105516315	BHYVPXWLQVXTLB-NNAGEYCMSA-N	599.709	4.391	10	40	KICB	
Cc1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(I)cc1	408692269	IWOJBPWRWFRNGX-UNOMPAQXSA-N	503.340	4.103	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1	409021798	YYXBEZZZHWMAKY-UAMLYEQYSA-N	659.761	4.327	10	40	KICB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1	409047463	NWHFOKXTSSWKNQ-YBFXNURJSA-N	547.372	4.442	10	40	KICB	
COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OCc4ccccc4)c3)C(=O)NC2=S)c(OC)c1	409102746	FBAJQBPGIVXGGI-DEDYPNTBSA-N	504.564	4.123	10	40	KICB	
CC(C)(C)OC(=O)CN(CCN(CC(=O)OC(C)(C)C)Cc1ccccc1O)Cc1ccc(C(=O)O)cc1	1857793424	FZAQZUASDOBPNM-UHFFFAOYSA-N	528.646	4.078	10	40	KICB	
O=C(N[C@H](c1ccccc1)[C@H](O)C(=O)OCc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccccc1	5813279	MHQSGAKVNWJEHS-UHSQPCAPSA-N	505.526	4.037	10	40	KICB	
COc1ccc(CN2C(=O)[C@]3(SC2=S)[C@H](c2cccnc2)CN(C)[C@@]32C(=O)N(C)c3ccc(Cl)cc32)cc1	106021646	ITCRFMWLNNZYHU-QLCOJLISSA-N	565.120	4.444	10	40	KICB	
COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCC(=O)NCc2ccccc2)cc1	408787135	SCYCSIUPUWLWHS-KQWNVCNZSA-N	500.526	4.398	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCC(=O)Nc3ccccc3Cl)C2=O)cc1	409247152	BKGURYZGUKQWOQ-XMHGGMMESA-N	505.914	4.033	10	40	KICB	
COc1ccc(CCN2C(=O)/C(=C/c3c(N4C[C@H](C)O[C@@H](C)C4)nc4c(C)cccn4c3=O)SC2=S)cc1	97969866	KHRJEXUVGLTWEH-LAUXKIPWSA-N	550.706	4.069	10	40	KICB	
N=C1/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12	101033591	NQTHIQLPAXJMHV-IOFGNLEFSA-N	547.040	4.211	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC)c(I)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	163720403	QNDFDSLRZAVGRC-LJJBLSSYSA-N	743.405	4.472	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(I)c1OCC	408813528	XUVGVBIWMLHGDT-UKTHLTGXSA-N	540.741	4.408	10	40	KICB	
CC[C@H](C)N1C(=O)/C(=C/c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	2248029	COJMBKDYYFZUAQ-CEZZIEKDSA-N	537.686	4.468	10	40	KICB	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(C(=O)O)c(O)c3)C2=O)cc1	8819914	WRXXSPZBNPMROE-MOSHPQCFSA-N	500.598	4.499	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1	110258802	KDJZEBFUIBQMRP-PKYOQBLNSA-N	593.746	4.449	10	40	KICB	
COc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4I)cc3)C(=O)NC2=S)cc1	408761598	GVDUPQUAFGFUDF-ZHZULCJRSA-N	613.433	4.149	10	40	KICB	
COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1	409006158	XWWYOKIPVQMWIN-MFKUBSTISA-N	527.577	4.024	10	40	KICB	
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)ccc1OS(=O)(=O)c1ccccc1	409069466	JCDSVZLGWRCPKR-CPNJWEJPSA-N	545.342	4.022	10	40	KICB	
CCc1cccc2c(/C=C3\SC(=S)N(Cc4cccnc4)C3=O)cn(CC(=O)NC[C@H]3CCCO3)c12	409123138	FCCBSWVGPXVUNG-IVZMSFFOSA-N	520.680	4.295	10	40	KICB	
O=C(Nc1nccs1)[C@@H](c1cc(F)ccc1O)N1Cc2ccc(-c3ccc(N4CCNCC4)cc3)cc2C1=O	1857522945	VHQVOTINPRYDAO-AREMUKBSSA-N	543.624	4.400	10	40	KICB	
Cc1cc(C)cc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCC2)c2ccc(O)c(O)c2)c1	902675	YCDCWNIEBAGVLH-MUUNZHRXSA-N	513.598	4.293	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1ccccc1OCC	2193031	PJVGJTCTXLEGRP-FCKOQQNDSA-N	570.509	4.026	10	40	KICB	
O=C1N[C@@H](c2cc(Br)cc(Br)c2O)[C@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1	8432911	ROUBDRPGGXHHPB-IIYDPXPESA-N	538.114	4.021	10	40	KICB	
CCOc1ccccc1C(=O)NCC(=O)OCC(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C	25396373	DRMLAFKVPWDMBS-UHFFFAOYSA-N	500.498	4.250	10	40	KICB	
CCOc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1OC	103859910	YRDWRMSXTBMJEJ-AUWJEWJLSA-N	571.165	4.127	10	40	KICB	
CCCOc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)cc1OC	408869830	UKJMHENUNKPBIF-WJDWOHSUSA-N	534.350	4.317	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)C)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	408924023	PSUWHUROJGPILW-DBXPASCUSA-N	549.693	4.050	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc(Cl)c1OCc1ccccc1	408945560	WQIPKQZZPJAIQX-YBFXNURJSA-N	506.898	4.292	10	40	KICB	
CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Br	408946742	AXFQSCRPYNDFQH-LFYBBSHMSA-N	538.148	4.005	10	40	KICB	
CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1	409020388	OTULSKUKJLUDHQ-PCLIKHOPSA-N	527.577	4.419	10	40	KICB	
Cc1cccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2Cl)c1	409053436	CORRNVCKEPALGY-RGVLZGJSSA-N	534.912	4.241	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1	409060186	YCUQFZRWEDODEC-KEBDBYFISA-N	656.389	4.200	10	40	KICB	
CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Br)c1OCc1ccc(C(=O)O)cc1	409087558	BQFYJAYDNOWDBV-VCHYOVAHSA-N	519.373	4.231	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(N3CCN(c4ccccc4F)CC3)nc12	1449958	MVQBMNGDHFPHKC-JCMHNJIXSA-N	537.686	4.326	10	40	KICB	
Cc1cc(/C=C2/C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1	101377562	XPZSYROVXJLAIQ-YZSQISJMSA-N	591.690	4.140	10	40	KICB	
COc1cc(/C=C2\SC(=S)NC2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408532724	VMMGPHBRYQSKAN-NVNXTCNLSA-N	528.349	4.276	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)cc4)c(Cl)c3)C2=O)cc1	408888223	UAQWTRCOMJZNPV-KGENOOAVSA-N	540.981	4.481	10	40	KICB	
COc1ccccc1NC(=O)COc1cccc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c1	409370079	KPVUXMJOYGVTPN-RGEXLXHISA-N	519.941	4.341	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(OC)cc1	409383006	SOTRRBWECCGNDJ-MTJSOVHGSA-N	610.417	4.246	10	40	KICB	
COc1c(Br)cc(Br)cc1/C=C1/C(=O)N=C(O)N(Cc2ccc(F)cc2)C1=O	13773699	ZUKJHVSEVLNOGG-AUWJEWJLSA-N	512.129	4.226	10	40	KICB	
Cc1noc(C)c1S(=O)(=O)N1CCCN(CC(=O)c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)CC1	14086384	QKZVPYUDJSQGRO-UHFFFAOYSA-N	523.030	4.071	10	40	KICB	
COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1OCc1ccccc1Cl	59139580	GJYPFXSPZKGDCV-UHFFFAOYSA-N	509.809	4.289	10	40	KICB	
CC(=O)Nc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2C)cc1	103858311	CMBGYVJUZMPJHN-LPYMAVHISA-N	521.371	4.481	10	40	KICB	
Cc1ccc(NS(=O)(=O)c2ccc(N/C=C3\C(=O)NC(=O)N(c4ccc(Br)c(C)c4)C3=O)cc2)cc1	408536976	YPGODLMSUNTEGB-KGENOOAVSA-N	569.437	4.446	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)Nc4ccccc4)c(OC)c3)C2=O)cc1	409041112	IJQWXZZNTYPDII-FYJGNVAPSA-N	549.967	4.431	10	40	KICB	
O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1	409069328	IMWBZYGLBGLVAT-WOJGMQOQSA-N	606.794	4.445	10	40	KICB	
COc1cccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c1OCc1ccc(C(=O)O)cc1	409188192	XIFFFICWEHIQPT-HYARGMPZSA-N	500.507	4.256	10	40	KICB	
CCOc1cc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(N)=O	409199126	HDHFUOFFYLOCHM-HZHRSRAPSA-N	529.618	4.315	10	40	KICB	
O=C1/C(=C/c2c(NC[C@H]3CCCO3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1Cl	1100656	GAFVNVPSGMSNPI-BKAYVGFPSA-N	513.044	4.340	10	40	KICB	
O=C1/C(=C/c2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1	9424450	XMUKLDIDKBMNQT-FLVGQNKLSA-N	514.632	4.241	10	40	KICB	
C[C@@H]1Cc2cc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)ccc2O1	100897611	IKDALLQSFLPWAU-WGJADDRXSA-N	537.688	4.251	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)ccc1OCc1ccc(Cl)cc1	408939223	LWQKSRKNEZSJEP-UDWIEESQSA-N	506.898	4.292	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)cc3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC	409057934	XAZWTVFGTWGZOU-GTWFGUSFSA-N	552.096	4.451	10	40	KICB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCc1cccc(F)c1	409408939	SFNZGVJVEDWBMB-ODLFYWEKSA-N	544.320	4.479	10	40	KICB	
Cc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)c3ccccc3)c(O)c(S(=O)(=O)c3ccccc3)c2)cc1	3095759	CSUNCSHPUJANBM-UHFFFAOYSA-N	543.644	4.167	10	40	KICB	
CS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1)c1cccc(Cl)c1	13669318	TYOMOHTVMXZVQM-UHFFFAOYSA-N	514.047	4.073	10	40	KICB	
N=C1/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12	101155732	DHAPEUXEVGGHMY-UNWMBJBYSA-N	518.382	4.121	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(OC)cc4)c3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409049200	YEMUQFLAKTVFGJ-NXYYLBPMSA-N	659.761	4.165	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1	409050151	ZMSWBXQDMPUJEH-CIAFOILYSA-N	641.418	4.388	10	40	KICB	
CCOc1c(I)cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1OC	409179826	NUIKKZQELYQEOQ-LFIBNONCSA-N	540.404	4.245	10	40	KICB	
COc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)N1CCOCC1	409197587	JLCIXGVHWMMHRZ-UDWIEESQSA-N	538.569	4.357	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4F)c(Cl)c3)C2=O)cc1	409382434	MSVPCKVVHYZSHB-LDADJPATSA-N	523.904	4.172	10	40	KICB	
COc1cc([C@H](CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c2oc(C)cc(=O)c2O)ccc1O	604403942	FHTHPOSCQDDYRK-LOSJGSFVSA-N	549.668	4.299	10	40	KICB	biogenic
CCc1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccc(S(=O)(=O)Nc5nccs5)cc4)o3)C2=O)cc1	2126864	PTVQPHPDSPDXHB-QNGOZBTKSA-N	520.592	4.228	10	40	KICB	
O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	6456962	ALGMYQCLSIXBDQ-WQRHYEAKSA-N	525.340	4.376	10	40	KICB	
CN1C(=O)[C@@]2(c3cc(Cl)ccc31)N(C)C[C@H](c1ccco1)[C@@]21SC(=S)N(Cc2ccco2)C1=O	20572266	OCHPSJZGZHFTPG-VEYWIMSWSA-N	514.028	4.226	10	40	KICB	
COc1ccc(N2CCN(c3nccnc3SCC(=O)Nc3ccc(OC)c(Cl)c3)CC2)cc1	33292954	NTIZTCRVNMRIEH-UHFFFAOYSA-N	500.024	4.205	10	40	KICB	
COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4C)c3C)C(=O)NC2=S)c(OC)c1	59595825	KUHZOHGYEBUUCC-UDWIEESQSA-N	520.567	4.159	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3cccc([N+](=O)[O-])c3)C2=O)cc1	408810835	MYXYGYJQZNOFGY-OEAKJJBVSA-N	517.494	4.248	10	40	KICB	
CCCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OC)c(=O)n21	409010234	BNTMAGITIIEEQP-ACJNQYEBSA-N	623.772	4.077	10	40	KICB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/C(=O)N(CCOC)C(=O)N(c4ccccc4)C3=O)c2C)c1	409010270	BNHWAMYUGBWCOF-BWAHOGKJSA-N	515.566	4.296	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccccc1	409183450	SDRQKDMSSVLUIO-QNGOZBTKSA-N	526.617	4.009	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cn(Cc4ccc(C(=O)OC)o4)c4ccccc34)C2=O)cc1	409389268	ARJRGQYRYRNQPR-HYARGMPZSA-N	513.506	4.134	10	40	KICB	
COc1ccc(C2=NC3=S=C(C(=O)CSc4nc(C)cc(-c5ccc(OC)cc5)n4)C(=O)N3C(C)=C2)cc1	409415783	CWDPURQLTOAKAA-UHFFFAOYSA-N	544.658	4.372	10	40	KICB	
Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)c1	6442188	IIUIQOXJHHPPJS-DEOSSOPVSA-N	534.686	4.036	10	40	KICB	
CCOc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4cccc(C(=O)O)c4)c(OC)c3)C2=O)c1	9311411	QCZLNUHMHQBOSB-XKZIYDEJSA-N	516.506	4.038	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(I)c1O	409241629	KRXLAHBKNKABEB-AWNIVKPZSA-N	562.307	4.246	10	40	KICB	
O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccc(I)cc2)cc1	409373036	PVPHBAONHCFWEX-UDWIEESQSA-N	528.302	4.125	10	40	KICB	
CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@@H](c2cc(I)cc(C)c2O)N3)C1	15947010	LBBPVYSKIKKNKQ-MRXNPFEDSA-N	513.357	4.310	10	40	KICB	
Cn1c(=O)oc2cc(N/C=C3/C(=O)NC(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)ccc21	16363996	UDSVQMCASWIPMF-JCMHNJIXSA-N	512.566	4.178	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)ccc3OC(=O)c3ccc4c(c3)OCO4)C2=O)cc1	408529193	CJVXBEVBDAFOES-ODLFYWEKSA-N	565.332	4.072	10	40	KICB	
O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12	408542093	GYEDEULWDUVOIY-VXLYETTFSA-N	534.322	4.410	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCc1ccc(F)cc1	408805106	DSVXMWIRDNZHJG-VXLYETTFSA-N	588.329	4.390	10	40	KICB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(CNC(=O)C(=O)Nc4cccc(Cl)c4)o3)C(C(=O)OC)=C2C)cc1	408867817	MCFDPUAYPFPQMU-BUVRLJJBSA-N	563.994	4.464	10	40	KICB	
COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c1OCc1ccc(C(=O)O)cc1	409187545	RSPKNWKBNHJPLJ-DEDYPNTBSA-N	522.966	4.457	10	40	KICB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4C)c(OC)c3)C2=O)cc1OC	409271021	SRVJGFXRHMKPLT-JCMHNJIXSA-N	573.602	4.485	10	40	KICB	
O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1	409374220	YYFFASSHGKYQTC-VCHYOVAHSA-N	526.299	4.191	10	40	KICB	
C[C@@H]1CN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)C[C@@H](C)O1	26533277	DMILYCJQXMSZDS-PBISPWCISA-N	506.653	4.271	10	40	KICB	
CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\Nc1cc2c(cc1N(C)C)n(C)c(=O)n2C	408539893	ZUQBUMZNTPQFCB-VBKFSLOCSA-N	511.424	4.041	10	40	KICB	
COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1I	408780273	AJIVYXJEVJGYEJ-VGOFMYFVSA-N	602.166	4.188	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1O	408894491	IGANMZCAZMSGBV-YBFXNURJSA-N	523.339	4.409	10	40	KICB	
O=C1NC(=O)C(=Cc2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)C(=O)N1	408895848	OHJICMADASCYBQ-UHFFFAOYSA-N	514.557	4.193	10	40	KICB	
COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I	408901353	XKTNGDDPKVYFTL-WUXMJOGZSA-N	653.008	4.333	10	40	KICB	
CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(N(C)C)cc3)c2=O)=N1	409034367	NPNSWNFYGGGFRL-XSZPGNIMSA-N	540.085	4.307	10	40	KICB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2Cl)cc1	6144811	CRQMIWKQKKZYCL-BTGMWCQSSA-N	538.010	4.479	10	40	KICB	
Cc1ccc(CN2C(=O)/C(=C/c3c(NC[C@@H]4CCCO4)nc4ccc(C)cn4c3=O)SC2=S)cc1	16734828	JRTAISSMEZCNOP-VFAFIFLJSA-N	506.653	4.304	10	40	KICB	
CCOC(=O)c1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]23)cc1	17968444	QEPAUKLNPDFOAU-XPWALMASSA-N	529.932	4.212	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2cccc(Cl)c2)OC32C(=O)c3ccccc3C2=O)cc1	101117334	AUDIHLFGQUCBRC-DNVJHFABSA-N	529.932	4.212	10	40	KICB	
CC(=O)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)NC(=O)N(c2cccc(C)c2)C1=O	408528356	AZXLQSSYWMDFII-NVNXTCNLSA-N	522.149	4.112	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	408885857	GAEQJTDCMLMIHW-XMHGGMMESA-N	540.981	4.481	10	40	KICB	
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1OCc1cccc2ccccc12	409337246	YZZPJVOLZJTWFT-UHFFFAOYSA-N	542.329	4.172	10	40	KICB	
CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4OC)c3C)C(=O)NC2=S)cc1	409385774	KFZFICUBCLMNBJ-FYJGNVAPSA-N	504.568	4.405	10	40	KICB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCc1ccc(C(=O)O)cc1	409406424	JVMILJUEKZNTOX-ODLFYWEKSA-N	523.339	4.196	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	6167985	OZTWVXHGXZBYNC-QPJBPQEWSA-N	572.643	4.341	10	40	KICB	
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl	59485071	AEAKQUFTDMIWJN-UHFFFAOYSA-N	514.159	4.483	10	40	KICB	
CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Br	103851736	YINTWKLBAQNNIL-KPKJPENVSA-N	541.782	4.015	10	40	KICB	
COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)Nc2ccc(S(N)(=O)=O)cc2)cc1	103922553	HDOUHPRAQIXAKW-JCMHNJIXSA-N	519.608	4.089	10	40	KICB	
CNc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I	408740839	NCHSVSHGJOPLFJ-WUXMJOGZSA-N	652.024	4.366	10	40	KICB	
COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1	408868756	OKMPRWCMKXAYQC-DIBXZPPDSA-N	526.589	4.310	10	40	KICB	
O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1)Nc1ccccc1	408902389	IHAKXISHUFPAQL-KGENOOAVSA-N	520.339	4.133	10	40	KICB	
NC(=O)COc1c(Br)cc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O	409264328	DPDYWZBHETVMDL-WCIBSUBMSA-N	592.027	4.049	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409361206	ATPNEZTWRRZEEJ-MTJSOVHGSA-N	595.967	4.348	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1F	409404494	DFSDLUZMSQAJGO-PDGQHHTCSA-N	601.372	4.308	10	40	KICB	
Cc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCC(=O)O)c(I)c3)C(O)=NC2=S)cc1	33358388	VOVCWPUHEBPSAF-AWNIVKPZSA-N	648.216	4.339	10	40	KICB	
COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1ccc(NC(C)=O)cc1	41083313	UHMRQINYBFFIGD-KZVRHOHFSA-N	521.599	4.387	10	40	KICB	
COc1ccc(N2CCN(C(=O)CSc3[nH]c(-c4ccccc4)nc3S(=O)(=O)c3ccccc3)CC2)cc1	101291137	XQDGGDAEEDXEGZ-UHFFFAOYSA-N	548.690	4.359	10	40	KICB	
O=C1/C(=C\c2cc(-c3ccc(Br)cc3)nn2-c2ccccc2)SC(=S)N1CCS(=O)(=O)O	102627113	AYRIPETXBLPAHQ-CPNJWEJPSA-N	550.481	4.391	10	40	KICB	
Cc1ccc(COc2c(I)cc(/C=C3\C(=O)NC(=S)N(C)C3=O)cc2I)cc1	408910185	JMVHTFIPFXMYSJ-VGOFMYFVSA-N	618.234	4.040	10	40	KICB	
Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2Cl)cc1	409223488	FRIMCOLBKRHSJT-UDWIEESQSA-N	534.912	4.241	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc(I)c1OC(C)C	408801756	BKYIIJQFYGMOSF-CXUHLZMHSA-N	534.350	4.370	10	40	KICB	
CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1	408868858	PNMFBTZTZNECAW-AUAXKSBWSA-N	569.452	4.390	10	40	KICB	
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)cc1	408948870	HFBSQTHKDJGXLJ-RGVLZGJSSA-N	521.323	4.423	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1	409362564	IBFKGVNYKLMEBP-FYJGNVAPSA-N	521.476	4.047	10	40	KICB	
Cc1cc(N2CCCC2)c(F)cc1/C=C1\NC(=O)N(CC(=O)Nc2ccc(Br)cc2)C1=O	409374006	XAZOWZLQGQHBLF-UNOMPAQXSA-N	501.356	4.028	10	40	KICB	
COc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)c2)cc1	409377817	LCKXIRXUUNAONO-STZFKDTASA-N	519.941	4.341	10	40	KICB	
O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1)Nc1ccccc1F	409382580	UHIYTEDXZISOED-CPNJWEJPSA-N	538.329	4.272	10	40	KICB	
O=C(NCc1ccccc1)[C@@H](c1ccc(N2CCOCC2)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)Cn1nnc2ccccc21	6446218	UAVVAXQOHVWCEF-UUWRZZSWSA-N	618.694	4.083	10	40	KICB	
Cc1cc(NC(=O)CSCC(=O)N(c2ccccc2)[C@@H](C(=O)N[C@H]2C=CCCC2)c2ccc(O)c(O)c2)no1	100326750	VCVGILBSZUNMAA-CCLHPLFOSA-N	550.637	4.065	10	40	KICB	
N=C1/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12	102464312	XBILFSFXAJPDIR-PAMLCIOASA-N	532.582	4.196	10	40	KICB	
COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc([N+](=O)[O-])cc2OC)c1C	223727599	KNWQXSQGCKAKCE-RPBOFIJWSA-N	523.615	4.332	10	40	KICB	
O=C1NC(=S)NC(=O)C1=Cc1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1	409049954	YYQFLEDSYFRUTN-UHFFFAOYSA-N	530.625	4.358	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1cccc(C(=O)O)c1	409374776	ZBJIUVPFFZGBOO-VXLYETTFSA-N	524.913	4.271	10	40	KICB	
O=C(COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Cl)Nc1ccccc1F	409376102	UJWBMRKYUTUKAI-ATVHPVEESA-N	509.946	4.328	10	40	KICB	
O=C(COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Br)Nc1ccccc1F	409378657	RCVOKXMYHVDOPE-BOPFTXTBSA-N	583.326	4.180	10	40	KICB	
Cc1ccc(CN2C(=O)/C(=C/c3c(N4C[C@H](C)O[C@@H](C)C4)nc4c(C)cccn4c3=O)SC2=S)cc1	12614335	UHYAQIVTQDGDKM-XIKQRPLDSA-N	520.680	4.326	10	40	KICB	
CCCCn1c(=O)/c(=C2/Sc3ccccc3N2C)s/c1=C1\SC(=S)N(c2ccccc2)C1=O	100500487	VTVSDKYJYPKZMU-RSFSRFMPSA-N	511.719	4.191	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	105499728	HSMXWDASWHMQOZ-YNMQQHPQSA-N	585.686	4.180	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	163722922	FQDIYUWVDANUMW-FUFNRSNVSA-N	629.651	4.473	10	40	KICB	
CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OC	408854706	AGVPKOGKCBQZDM-KPKJPENVSA-N	543.812	4.429	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1	409046963	SQTNRXCJESBXNL-QARYAGPDSA-N	614.562	4.423	10	40	KICB	
O=C(NC1CCCC1)[C@@H](c1ccc(O)c(O)c1)N(C(=O)Cn1nnc2ccccc21)c1ccc(Br)cc1	902579	WNLXIBQDCNZKIH-AREMUKBSSA-N	564.440	4.438	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	8424303	MVGGCDAOSMQIQZ-LXYLXTGBSA-N	644.588	4.433	10	40	KICB	
CCOc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(CCCCCC(=O)O)C3=O)c3ccccc32)cc1	97957628	ZNAVETMEESUWTO-WCWDXBQESA-N	553.662	4.287	10	40	KICB	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(I)cc(I)c1O	408966625	PRABCILWLQHPDV-ZSOIEALJSA-N	530.103	4.408	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409218812	HGRPQQFLMQBAGS-UDWIEESQSA-N	519.941	4.341	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C	409253071	ANNZMVXVVBHFCD-PXLXIMEGSA-N	529.549	4.086	10	40	KICB	
Cc1ccc(NC(=O)COc2c(Br)cc(C=C3C(=O)NC(=S)NC3=O)cc2Br)cc1Cl	409266297	XSYRBUGCFOXEET-UHFFFAOYSA-N	587.677	4.105	10	40	KICB	
O=C1N[C@H](c2cc(Br)cc(Br)c2O)[C@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1	1009634	ROUBDRPGGXHHPB-XNJGSVPQSA-N	538.114	4.021	10	40	KICB	
CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccc(N4CCOCC4)cc3)cc2)cc1	13673224	SENUTULXAGKILN-UHFFFAOYSA-N	511.669	4.000	10	40	KICB	
CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCc3ccccc3)N3CCN(c4ccc(OC)cc4)CC3)cc2c1	100354986	HPTZYWCAHILAPD-SSEXGKCCSA-N	549.679	4.240	10	40	KICB	
CCOC(=O)c1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]23)cc1	101156946	QEPAUKLNPDFOAU-YTFSRNRJSA-N	529.932	4.212	10	40	KICB	
CCOc1ccc(NS(=O)(=O)c2ccc(N/C=C3\C(=O)NC(=O)N(c4ccccc4CC)C3=O)cc2)cc1	408536728	XPUXXVOQZDBZSO-HAVVHWLPSA-N	534.594	4.027	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	408814837	SKRYDFYBBIJBSQ-LPYMAVHISA-N	501.495	4.466	10	40	KICB	
COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cc(OC)ccc4OC)cc3)C(=O)NC2=S)cc1	408993990	XWJRHDQGRLUCKZ-OEAKJJBVSA-N	504.564	4.123	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OS(=O)(=O)c4ccc(Cl)cc4)c(OC)c3)C2=O)cc1	409070254	FBWCMNFPFUFYRX-YBFXNURJSA-N	577.398	4.445	10	40	KICB	
CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(I)c1OCc1ccc(C(=O)O)cc1	409093197	ZCUZJPCXLPAGLC-VCHYOVAHSA-N	566.373	4.074	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OC)c3OCc3ccc(C(=O)O)cc3)C2=O)cc1	409185236	UPEWMPORQFMBFU-PXLXIMEGSA-N	516.506	4.038	10	40	KICB	
CCOc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccccc3OCC)C2=O)cc1OCC	409235948	QSFXZOGPKNCHLY-RVDMUPIBSA-N	503.349	4.312	10	40	KICB	
O=C(COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O)Nc1ccc(F)cc1	409365160	SVGURBXAZCWCQZ-UDWIEESQSA-N	511.868	4.302	10	40	KICB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)o1	9262723	CWPSAIKMNULEBM-GZTJUZNOSA-N	512.272	4.292	10	40	KICB	
COC(=O)c1ccc(-n2c(C)cc(C3=NN=C(Nc4cccc(S(=O)(=O)N(C)C)c4)SC3)c2C)cc1	12546973	VJFFOJJBFNBMDI-UHFFFAOYSA-N	525.656	4.050	10	40	KICB	
Cc1cccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)cc2)c1	13778709	LCWCIVYJVRTHPQ-KOKPDDJTSA-N	517.611	4.084	10	40	KICB	
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)cc(Br)c1O	409044864	CXELLNJHFSNRGL-UXBLZVDNSA-N	500.530	4.237	10	40	KICB	
O=C(Cn1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c2cc(Br)ccc21)N1CCOCC1	409132854	RSTBBCYPDAMLDZ-FBHDLOMBSA-N	557.495	4.059	10	40	KICB	
COc1cc(/C=C2\SC(=S)NC2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409248921	HXXLAAOISJHSON-SXGWCWSVSA-N	540.404	4.115	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1	409374652	VWBNYPQHICHMLN-YBFXNURJSA-N	568.380	4.120	10	40	KICB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409409683	WKHCAQHBWJEXGR-NDENLUEZSA-N	583.382	4.087	10	40	KICB	
COc1ccc2c(c1)c(=O)oc1c(C)c(O[C@@H](C)C(=O)N[C@@H](Cc3c[nH]c4ccc(O)cc34)C(=O)O)ccc12	2133546	XNBXGCIVUNNXBI-OWJWWREXSA-N	530.533	4.030	10	40	KICB	biogenic
COc1ccc(N2CCN([C@@H](c3cc4cc(C)cc(C)c4[nH]c3=O)c3nnnn3Cc3ccccc3)CC2)cc1	6177996	WZNKCEXBNGDIFR-LJAQVGFWSA-N	535.652	4.100	10	40	KICB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1	102992312	CXPWGGOHRDIJDE-VFCFBJKWSA-N	553.644	4.366	10	40	KICB	
Cc1cc(N2C(=O)NC(=O)/C(=C\Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3)C2=O)ccc1Br	408527990	DTWCGHYVYNHBSE-XSFVSMFZSA-N	555.410	4.137	10	40	KICB	
COc1ccc(N2CCN(C(=O)c3ccc(N(C)S(=O)(=O)c4ccc(SC)cc4)cc3)CC2)cc1	408703596	UJWMZKAQRZDNDE-UHFFFAOYSA-N	511.669	4.205	10	40	KICB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1	408884596	XUPRPQTXUVERMK-AQTBWJFISA-N	559.369	4.331	10	40	KICB	
COC(=O)COc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1Br	408983276	LBYLYWBLGSBOOL-ACAGNQJTSA-N	586.620	4.392	10	40	KICB	
COc1ccc2c(c1)N(C)/C(=c1/s/c(=C3/C(=O)N(c4ccccc4)N=C3C)n(-c3ccc(C)cc3)c1=O)S2	4063663	FOVFQQKUHAGIMH-CIMIHRMLSA-N	540.670	4.097	10	40	KICB	
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409008151	URDDVZXVGLOPQM-UHFFFAOYSA-N	543.620	4.320	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(C)cc4C)c(OC)c3)C2=O)cc1	409252198	CRMDGIJMOJCGBR-HZHRSRAPSA-N	543.576	4.395	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4Cl)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	100414295	RXXRZUJATITGHV-XPWALMASSA-N	529.932	4.212	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@@H]1c1ccc(F)cc1	408837650	KOUOQSNDAFVLBE-LMSRTUJASA-N	559.619	4.043	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4F)c(OC)c3)C2=O)cc1	408884757	ZNAWSWSRNIGJCE-HYARGMPZSA-N	502.498	4.268	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCc1cccc(F)c1	408956106	WDAWGPSOLZFXRA-QGMBQPNBSA-N	616.339	4.413	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@@H]1c1cc(Br)ccc1OC	409057709	WCPUUGVFHLDFOG-LMSRTUJASA-N	596.547	4.478	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(Br)c(Br)c1O	409245054	MSIPKJPTFHYERU-YRNVUSSQSA-N	526.206	4.066	10	40	KICB	
Cc1ccc(CN2C(=O)/C(=C/c3c(NC[C@H]4CCCO4)nc4ccc(C)cn4c3=O)SC2=S)cc1	16734831	JRTAISSMEZCNOP-GFIJVFARSA-N	506.653	4.304	10	40	KICB	
O=C(COC(=O)CNC(=O)c1sc2ccccc2c1Cl)Nc1cccc2c1C(=O)c1ccccc1C2=O	103140684	KLDVDPNIQCMALY-UHFFFAOYSA-N	532.961	4.242	10	40	KICB	
O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)N3CCN(c4ccccc4)CC3)C2=O)SC1=S)N1CCN(c2ccccc2)CC1	150420578	JDBZZHFNPRCVFX-QVIHXGFCSA-N	722.984	4.177	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)cc1	408816476	UQBXMKYZCVORTJ-UDWIEESQSA-N	580.347	4.389	10	40	KICB	
O=C(COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O)Nc1ccccc1	408903680	WFRRPZYBQROPEV-XSFVSMFZSA-N	520.339	4.133	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408955220	UATMGZMOHMPAQF-QGMBQPNBSA-N	643.346	4.182	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	409019328	RACATODUGGABPO-IPAKXIGBSA-N	613.692	4.030	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)c(OCC(=O)Nc4ccccc4C)c(OC)c3)C2=O)cc1	409252077	SADKIFSFCRJRQH-NDENLUEZSA-N	669.428	4.079	10	40	KICB	
CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc(I)c1O	409329129	CWSPFDGNOWLWBS-MDWZMJQESA-N	532.406	4.003	10	40	KICB	
Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	3366497	KMTGCBSLNBLQCV-IBDYFIJFSA-N	534.009	4.190	10	40	KICB	
CCc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCCC1)c1ccc(N(C)C)cc1	6135422	KFFIDPHJMCVFMO-RUZDIDTESA-N	548.713	4.290	10	40	KICB	
CN1C(=O)/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21	8777607	AXPYJSGQFBFTDQ-DIBXZPPDSA-N	543.645	4.258	10	40	KICB	
CCCN1C(=O)/C(=C\c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	9460998	VWLKUMGBFSTZOA-RCCKNPSSSA-N	523.659	4.080	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	408529299	CPYPKHDEVIDSDQ-QZTGBSOPSA-N	531.452	4.028	10	40	KICB	
CCc1ccccc1N1C(=O)/C(=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)C(=O)NC1=S	408762303	JYMKHWSDOJTTQY-STZFKDTASA-N	516.575	4.366	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4cccc(F)c4)c(OC)c3)C2=O)cc1	408884346	YOYJXYHPNZXBQA-RGVLZGJSSA-N	630.366	4.471	10	40	KICB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2Br)cc1	408886016	CSRLLGGTRKDACM-YBFXNURJSA-N	586.376	4.100	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)Nc4ccccc4)c(OC)c3)C2=O)cc1	409047520	OFCNBOAZHVTFHB-UDWIEESQSA-N	535.940	4.041	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C	409252650	CWSFQCZPAMBWPO-HMAPJEAMSA-N	529.549	4.092	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1OC	409369352	BIZUZJSNFFOQAF-ODLFYWEKSA-N	639.415	4.449	10	40	KICB	
Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)c(C)c1	6195223	JJVSRCHVJTVUHR-VWLOTQADSA-N	548.713	4.344	10	40	KICB	
O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cc([N+](=O)[O-])ccc3O)[C@H]2C(=O)N1c1ccc(Br)cc1	13748347	SEKXHFOHRWWZLY-QHAWAJNXSA-N	510.300	4.114	10	40	KICB	
CC(C)CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(-c4ccc(Br)cc4)o3)C(=O)N=C2S1	97964819	IPNRPUSMVPUJFF-OSIMKLFKSA-N	521.418	4.357	10	40	KICB	
Cc1cc(NC(=O)COC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)ccc1Br	103114053	IJSFLXBGCBILNE-UHFFFAOYSA-N	523.295	4.237	10	40	KICB	
Oc1cc(O)c2c(c1)O[C@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@@H]4c1c(O)cc(O)c2c1O[C@@H](c1ccc(O)c(O)c1)[C@@H](O)C2	150343272	BYSRPHRKESMCPO-ZIQXXZDPSA-N	864.765	4.242	10	40	KICB	biogenic,in-man
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OC(C)C	408814656	ZNBDUSHTULQXKZ-LZYBPNLTSA-N	565.320	4.052	10	40	KICB	
O=C1NC(=O)C(=Cc2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)C(=O)N1	408899277	PADCWBYRONLTEW-UHFFFAOYSA-N	514.557	4.193	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@@H]1c1cccs1	409023296	WWNPSXYNTOKXRH-OCEWKHMESA-N	546.718	4.333	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409040613	SZDTWNVSWQNGSV-AJAYTNACSA-N	674.732	4.065	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4cccc(C)c4C)cc3)C2=O)cc1	409255015	GRQGVNOYDJKNGB-LFVJCYFKSA-N	513.550	4.386	10	40	KICB	
CCOc1c(I)cc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc1I	101963838	CFROCJPAZDFNKT-UHFFFAOYSA-N	568.145	4.438	10	40	KICB	
CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(N(CC)CC)cc3O)c2=O)=N1	103827007	QAMUIWOJBVURCN-FUFNRSNVSA-N	579.719	4.148	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3cccc(C)c3)C2=O)cc1	408812841	TZWVMSDFVMSOPO-BUVRLJJBSA-N	514.534	4.426	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCc1ccccc1F	408948329	FNAHWHLQYYKMRR-CAOOACKPSA-N	616.339	4.413	10	40	KICB	
CCCOc1c(Br)cc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)OC)cc2)C1=O	409048672	UHWOXOMMBYKJFY-MHWRWJLKSA-N	566.202	4.453	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4OC)c(Cl)c3)C2=O)cc1	409377966	MFBVATSWZRJVRG-XSFVSMFZSA-N	549.967	4.431	10	40	KICB	
CC1(C)C=C(CN2CCN(c3ccccc3F)CC2)c2cc(F)cc3c2N1C(=O)/C3=C1\SC(=S)NC1=O	1554503300	XUVLPJNEGSKGHI-LNVKXUELSA-N	538.645	4.168	10	40	KICB	
CC[C@@H](C)c1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(CC(=O)N5CCOCC5)SC4=NC3=O)c2C)cc1	103596368	OZFZFOVRZJHEEP-PQLYDUPZSA-N	532.670	4.476	10	40	KICB	
CCOC(=O)COc1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3)C(=S)N=C2O)cc1OC	97960897	FHSRYIKKRJDMNL-YBEGLDIGSA-N	519.373	4.071	10	40	KICB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OCc1ccc(C)cc1	101396191	SHWUMIJAHRRCJQ-RNDHPAASSA-N	526.640	4.230	10	40	KICB	
Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C/Nc2cc3nc(O)[nH]c3cc2N2CCN(c3ccccc3)CC2)C1=O	408535497	YPHDHYVKBHMIQH-SILNSSARSA-N	616.476	4.245	10	40	KICB	
COc1cc(Br)cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1OC	409248037	FQMFLFJLJCAPBF-VGOFMYFVSA-N	515.307	4.316	10	40	KICB	
Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1C	409267516	NCIPHDXONQNIRJ-BKUYFWCQSA-N	564.392	4.455	10	40	KICB	
COc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc(Cl)c1OC(=O)c1ccco1	9209969	XLYOLJCUKFEVME-PSKWXLMSSA-N	507.915	4.223	10	40	KICB	
Cc1cccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]23)c1	95498610	CEAJVYIEGZCGCK-BHIFYINESA-N	516.347	4.453	10	40	KICB	
O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1OCCOc1ccc(Br)cc1	100272914	YQOJKTFMYNMUKF-RCCKNPSSSA-N	524.327	4.277	10	40	KICB	
CCOc1cc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C(F)(F)F)c(Br)cc1OCC(=O)O	101603092	FFTVXYQSQUBAJB-AUWJEWJLSA-N	557.275	4.358	10	40	KICB	
COC(=O)C[C@H](c1cc(Br)cc2c1OCOC2)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	108449281	YOOQDWZLYWEYTA-CQSZACIVSA-N	601.358	4.312	10	40	KICB	biogenic
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408537155	URWPRCFYRCJQRC-QGOAFFKASA-N	519.441	4.018	10	40	KICB	
Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C/c2c(C)nn(-c3cccc([N+](=O)[O-])c3)c2C)C1=O	408756598	HWOOIBZABJYVJB-ODLFYWEKSA-N	524.331	4.135	10	40	KICB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(F)cc4)c(Cl)c3)C2=O)cc1	408901599	ZBUKBVOCOUZMKK-UDWIEESQSA-N	507.905	4.471	10	40	KICB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5ccc([N+](=O)[O-])cc5C)c4C)c(=O)n32)cc1OCC	408932955	FZRRIISLBIBPHM-KXXVVDRPSA-N	616.696	4.440	10	40	KICB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)o1	408966744	NVKZQHYDHGUZJA-XNTDXEJSSA-N	501.879	4.487	10	40	KICB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(s/c(=C/c3ccc(N4CCCC4)cc3C)c2=O)=N1	409054137	MZLGCULGTSAJNY-QVOHLBINSA-N	545.705	4.496	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1	409179110	PDZFBIQCGOAHIE-XKZIYDEJSA-N	564.601	4.167	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1C	409258964	YMNHQGBGSDVACU-JAIQZWGSSA-N	641.418	4.306	10	40	KICB	
CCc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NCCC(C)C)c1ccc(N(C)C)cc1	6135414	UTBMSGXJENBMND-DEOSSOPVSA-N	536.702	4.003	10	40	KICB	
N=C1/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12	9460889	NQLZOZPFYKQJCX-FNSVQNJISA-N	512.389	4.341	10	40	KICB	
CCN(CC)c1ccc(CNC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3cc(Cl)ccc3O2)cc1	224875435	DSKXJVQKDPHQPT-RUZDIDTESA-N	514.047	4.459	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1C	409259779	FFKQUBQZAXNKKH-UNOMPAQXSA-N	627.460	4.457	10	40	KICB	
COc1ccccc1NC(=O)COc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC	409381994	JPGFSFDQHONCAX-ZDLGFXPLSA-N	625.388	4.058	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCc1ccc2c(c1)OCO2	409406030	JHKZMYAKNOAJQJ-GRSHGNNSSA-N	584.366	4.459	10	40	KICB	
CCCN1C(=O)/C(=C/c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	2246612	VWLKUMGBFSTZOA-QNGOZBTKSA-N	523.659	4.080	10	40	KICB	
COc1ccc(CCN2C(=O)/C(=C/c3c(N4CCN(c5ccc(OC)cc5)CC4)nc4ccccn4c3=O)SC2=S)cc1	97946829	YEXNBQQOIDPQLY-MEFGMAGPSA-N	613.765	4.482	10	40	KICB	
CCN1/C(=c2/s/c(=C3\C(=O)N(c4ccc([N+](=O)[O-])cc4)N=C3C)n(-c3cccc(C)c3)c2=O)Sc2ccccc21	100200793	CCLFBZSSDBOYJZ-OYUJONNZSA-N	569.668	4.387	10	40	KICB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1	100444577	BYWDLXQQOBKMBK-XDHOZWIPSA-N	521.323	4.393	10	40	KICB	
COc1ccc(CN2C(=O)/C(=C/c3c(N4C[C@@H](C)O[C@H](C)C4)nc4ccc(C)cn4c3=O)SC2=S)cc1	100902461	JYXGYIAFLYDUJL-QFEPNVRDSA-N	536.679	4.027	10	40	KICB	
Cc1cc(N2C(=O)NC(=O)/C(=C\Nc3ccc(C(=O)N4CCCCC4)cc3)C2=O)c(C)cc1Br	408533470	SIWHYTRXSZUWMM-XMHGGMMESA-N	525.403	4.271	10	40	KICB	
Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cc(I)c(OCC(=O)O)c(I)c2)C(=O)NC1=S	408776881	SAHSENKSCQGYCW-LFYBBSHMSA-N	727.112	4.261	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(I)c1OC(C)C	408809494	RTTCYFLGGUKAIE-LICLKQGHSA-N	534.350	4.452	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OS(=O)(=O)c4ccc(Cl)cc4)c(OC)c3)C2=O)cc1	409073626	WOJQLXRALJPLFE-YBFXNURJSA-N	605.408	4.223	10	40	KICB	
Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C3\SC(=S)N(NC(=O)c4ccccc4)C3=O)cc2)cc1	409206086	MFVNPHFXRVSXED-JCMHNJIXSA-N	531.615	4.337	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1	409256222	KQGRUOIBTCCDPT-NDENLUEZSA-N	627.460	4.457	10	40	KICB	
COc1ccc(N2CCN(S(=O)(=O)c3ccc(NC(=O)c4cccc(Cl)c4)c(F)c3)CC2)cc1	8810285	GEKRKZCUJKLROD-UHFFFAOYSA-N	503.983	4.251	10	40	KICB	
CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1	13801377	KTBISMJIDMSICY-KDSDTBODSA-N	519.667	4.042	10	40	KICB	
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1OCc1cccc(C)c1	59139829	XPCSNLYNOQQBCU-UHFFFAOYSA-N	503.418	4.334	10	40	KICB	
COc1ccc(/C=C2\C(=O)N(c3ccccc3OC)C(=S)N=C2O)cc1CN1C(=O)c2ccccc2C1=O	97968490	VDEPCABGRNCBRM-ZHZULCJRSA-N	527.558	4.172	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(=O)OCC)cc4)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC	97971061	ZVXBGGPLJBVXBJ-SJXDCSIJSA-N	629.735	4.400	10	40	KICB	
COc1cc(/C=C2/SC(=S)N(N)C2=O)cc(I)c1OCc1ccccc1F	100167766	DCAABNOEBWRFLK-OVCLIPMQSA-N	516.357	4.093	10	40	KICB	
CN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)c(I)c2)C(=O)N(C)C1=S	100224682	FEUBERIGIATSQE-UHFFFAOYSA-N	526.783	4.122	10	40	KICB	
O=C1C[C@H](c2cccc(Oc3ncccn3)c2)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1	108450279	IKUVUITZQQGDKG-MRXNPFEDSA-N	526.457	4.306	10	40	KICB	biogenic
CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(I)cc(Br)c1OCC(=O)O	111507946	PJKSWBSPPKAJGT-NVNXTCNLSA-N	541.139	4.323	10	40	KICB	
CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN(C)CCO)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C	263605848	QFLPZXIHCBNNDG-YEPLNTEHSA-N	784.900	4.178	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OC(=O)c1ccc(C)cc1	408528590	BOIPKPYFMWZPQR-PXLXIMEGSA-N	500.507	4.288	10	40	KICB	
Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccccc2I)C(=O)NC1=S	408550317	FVNAXNJAVAXYPZ-UKTHLTGXSA-N	527.181	4.193	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1OCc1ccc(F)cc1	408692322	JUQIJNDQBBBTEY-VCHYOVAHSA-N	564.351	4.422	10	40	KICB	
O=C(COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1Cl)Nc1ccccc1	408917094	MJLDZNDUDFQSAB-UNOMPAQXSA-N	509.946	4.328	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)cc(Br)c3OS(=O)(=O)c3ccccc3)C2=O)cc1	409073225	GBQZNOJJQQLJHW-XDHOZWIPSA-N	664.284	4.432	10	40	KICB	
Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	409140046	COIPJMBRFUBRGT-XYGWBWBKSA-N	517.611	4.443	10	40	KICB	
CC[C@H](C)N1C(=O)/C(=C/c2c(N3CCN(c4ccc(OC)cc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	100763644	LNMQONSXVCQTPD-QSSXUJFUSA-N	549.722	4.338	10	40	KICB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	111470624	PTIGSHLUUQWACS-GBIJUZDQSA-N	569.683	4.019	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	408528360	BAXJQJZPXNAWDF-HKXDJWQUSA-N	545.548	4.263	10	40	KICB	
CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1I	408905120	TZDHUVWNIQCQTG-RIYZIHGNSA-N	557.207	4.284	10	40	KICB	
Cc1cccc(NC(=O)COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1	409055391	ILTXGNQEBFLNCG-KGENOOAVSA-N	534.366	4.441	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409222452	DDXJZJGHLSUMQH-VXLYETTFSA-N	647.809	4.343	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409260745	VRDAEDJKTVSEEE-WQRHYEAKSA-N	521.016	4.350	10	40	KICB	
CCOc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)ccc1OCc1ccccc1	13751888	QVNOEKUDRRLLLW-ZVPJYGFCSA-N	517.611	4.296	10	40	KICB	
Cc1cccc(C)c1OCCOc1ccc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1Cl	101394822	CSLJLIPOFJBBLD-LXEXHQCYSA-N	533.031	4.036	10	40	KICB	
O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cc([N+](=O)[O-])ccc3O)[C@@H]2C(=O)N1c1ccc(Br)cc1	102732186	SEKXHFOHRWWZLY-ACRUOGEOSA-N	510.300	4.114	10	40	KICB	
COC(=O)c1ccc(-n2c(C)cc(/C=c3/sc4n(c3=O)[C@H](c3ccc(OC)cc3)C(C(=O)OC(C)C)=C(C)N=4)c2C)cc1	408982165	IQXWCUGLRXFSBG-NULZLWRNSA-N	599.709	4.390	10	40	KICB	
COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c1OC	409104433	ZQHMRAHFCGTAKI-YRNVUSSQSA-N	500.132	4.440	10	40	KICB	
COc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2cc(C)n(-c3ccc(I)cc3)c2C)C1=O	409240560	LGTBTKOQBYTHEK-BKUYFWCQSA-N	570.387	4.239	10	40	KICB	
Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)cc2I)cc1	409371064	CWPYXPBYVCSZIT-YBFXNURJSA-N	542.329	4.434	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1OC	409380843	IVVNFULJZBUEBC-UNOMPAQXSA-N	565.966	4.137	10	40	KICB	
COc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(Br)cc1)OC21C(=O)c2ccccc2C1=O	102668278	SYMMNTVNUXJENJ-YPAWHYETSA-N	532.346	4.153	10	40	KICB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(N(C)C)cc3)c2=O)=N[C@@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-]	408732790	ZAZNEXWUEQUBKN-FJNIOPPGSA-N	628.707	4.469	10	40	KICB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1	408785661	ALXIPXMZVDCPAF-BUVRLJJBSA-N	549.425	4.360	10	40	KICB	
O=C1NC(=O)C(=Cc2cc(Br)cc(Br)c2OCc2cccc(Cl)c2)C(=O)N1	409050467	WCQQYDNSKHBLBW-UHFFFAOYSA-N	514.557	4.193	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl	409266873	YTYPXGGNZGZHLZ-ZHZULCJRSA-N	577.977	4.209	10	40	KICB	
COc1cc(OC)c([C@@H]2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)cc1OC	96115098	FHDNUTSUWGSOGF-AWEZNQCLSA-N	506.463	4.044	10	40	KICB	biogenic
COc1cc(NC(=O)c2ccco2)c(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1OC	103085669	OLUZHUDNNIVIEO-UHFFFAOYSA-N	554.511	4.120	10	40	KICB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5ccc(NC(C)=O)cc5)c4C)c(=O)n32)cc1OCC	408935283	NFPPXZMTGZIQKS-SWFNHZAASA-N	614.724	4.181	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@@H]1c1cccc(OC)c1	409022772	SHSPZMGEKAFSDZ-PQRKSKNISA-N	570.715	4.280	10	40	KICB	
CCN(CC)c1ccc(/C=C2/SC(=O)N(CCOC)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1	409207736	YRBXOZIZIWFJIZ-LPYMAVHISA-N	528.587	4.141	10	40	KICB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCc1cccc(C(=O)O)c1	409409495	VRDLQUSUTTVJIM-ODLFYWEKSA-N	570.339	4.038	10	40	KICB	
CN1C(=O)[C@@]2(c3cc(Cl)ccc31)N(C)C[C@@H](c1ccccn1)[C@@]21SC(=S)N(Cc2ccco2)C1=O	97957167	FJVPZIUKYZDSRG-MUEKUWCCSA-N	525.055	4.028	10	40	KICB	
COc1ccccc1OCCOc1ccc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc1OC	100739926	QGZQTDDHPXMPHD-IMBVNTDDSA-N	520.489	4.343	10	40	KICB	
CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1	101114460	VJKODICNHAENDR-FYJGNVAPSA-N	541.431	4.375	10	40	KICB	
Cc1cc(C)cc(N2C(=O)[C@@H]3[C@@H](c4ccccc4O)N[C@](Cc4c[nH]c5ccccc45)(C(=O)O)[C@H]3C2=O)c1	102781218	IIVZPOSHWDJSRJ-HNRABGRISA-N	509.562	4.007	10	40	KICB	
O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)N=C(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)N1c1ccc([N+](=O)[O-])cc1	104831016	HPVTVPRGEUJBPN-UKWGHVSLSA-N	504.371	4.154	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1	408903692	WLDUFDXTRZXWRD-YBFXNURJSA-N	615.355	4.123	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)cc(Cl)c1OC(C)C	409104174	GDYYGJNEDVFZGO-CXUHLZMHSA-N	504.992	4.374	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OC	409232749	PIOOLTADZWOIQB-VGOFMYFVSA-N	556.809	4.492	10	40	KICB	
CCOCCCN1C(=O)/C(=C/c2c(NCc3ccc(OC)cc3)nc3c(C)cccn3c2=O)SC1=S	8768834	LIYNHGYEZBVLEW-QNGOZBTKSA-N	524.668	4.251	10	40	KICB	
COc1ccc(N2CCN([C@@H](c3cc4cc(C)c(C)cc4[nH]c3=O)c3nnnn3C3CCCC3)CC2)cc1	19940763	PDDKVZGGDNSBSP-MHZLTWQESA-N	513.646	4.167	10	40	KICB	
O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)c(N2CCOCC2)o1	100225358	HSHZULVDBMKCOJ-XYOKQWHBSA-N	531.215	4.017	10	40	KICB	
N=C1/C(=C\c2cn(Cc3ccc4c(c3)OCO4)c3ccccc23)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12	101082961	LYQIJMYGJQYGFZ-KPBHZGNCSA-N	540.605	4.050	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)cc1OCC(=O)OC	408753959	OVNJUZNNOUNYNH-OVCLIPMQSA-N	596.228	4.137	10	40	KICB	
O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1cccc([N+](=O)[O-])c1	408813531	NKVKRIKBVSJJPP-RGVLZGJSSA-N	522.857	4.402	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	409053445	CSWGCBVANOHKBO-CIAFOILYSA-N	549.967	4.437	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)N1CCOCC1	409258322	WHEVCXNBECMJOM-UYRXBGFRSA-N	549.468	4.101	10	40	KICB	
COc1ccccc1NC(=O)COc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1OC	409381370	TUBBAJGFSMJVON-PDGQHHTCSA-N	580.391	4.150	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	6354172	WRBBMWLXAJSUSW-MKWGYRPRSA-N	558.616	4.033	10	40	KICB	
O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408538280	ZYFRPODZSFCKDZ-UNOMPAQXSA-N	525.395	4.499	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)cc1	408807555	DCJHJKPFKYKZHH-HZHRSRAPSA-N	559.531	4.416	10	40	KICB	
COCCCNC(=O)Cn1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c2cc(Br)ccc21	409139052	LUNDVAQVBNVTNB-OCKHKDLRSA-N	524.506	4.414	10	40	KICB	
O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1ccc(O)c(C(=O)O)c1	1792498	RQYHENFZDHWVHO-SXGWCWSVSA-N	507.387	4.083	10	40	KICB	
O=C1NC(=O)N(CCNc2ncc(C(F)(F)F)cc2Cl)C(=O)/C1=C/Nc1cccc(C(F)(F)F)c1	3104252	NIGCRHPEGDVKPT-UKTHLTGXSA-N	521.805	4.259	10	40	KICB	
CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc(Cl)c1OS(C)(=O)=O	13801850	NJJANUJSNYTNOS-WLNNWNTISA-N	503.989	4.381	10	40	KICB	
COc1ccc(Cl)cc1[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12	17118318	UQUJGCNSYQQTBP-XPWALMASSA-N	501.922	4.352	10	40	KICB	
O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OC(=O)c1ccco1	409407435	FUPIUAFDLJJQBH-XNTDXEJSSA-N	532.144	4.485	10	40	KICB	
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)[C@@H]3CCCO3)c3ccccc32)S1	59471498	QKEVKALQSUGQJM-AWEZNQCLSA-N	505.639	4.067	10	40	KICB	
CCOc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)ccc1OCc1ccccc1	97964972	CDHJTUBHULIFPK-ZKZDLDBDSA-N	526.640	4.312	10	40	KICB	
CCOc1cccc2c1N(C(=O)c1cnccn1)C(C)(C)C(=S)C2=C1SC(C(=O)OC)=C(C(=O)OC)S1	408735965	YWANRYNJPZBEKO-UHFFFAOYSA-N	557.675	4.390	10	40	KICB	
COc1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3OS(=O)(=O)c3ccc(C)cc3)C(=O)NC2=S)cc1	408766987	UQQPRJXLHQANPS-STZFKDTASA-N	587.473	4.365	10	40	KICB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1	409067422	DACGSZBSJLNAJX-CPNJWEJPSA-N	517.346	4.428	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1C	409264707	RHDHFEMZDHAFBM-ODLFYWEKSA-N	609.389	4.358	10	40	KICB	
CCOc1cc(Br)c(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc1OC	409327503	KGKXIEKAUBRWBY-ZDLGFXPLSA-N	523.430	4.411	10	40	KICB	
CCOC(=O)COc1c(Br)cc(/C=C2\SC(=S)N(CC)C2=O)cc1Br	409382041	XJLPERJINXVZJM-GHXNOFRVSA-N	509.241	4.375	10	40	KICB	
CCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)cc1	6089836	LUFVWCPXZMZKHY-RUZDIDTESA-N	564.712	4.126	10	40	KICB	
COC(=O)COc1c(Cl)cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1Br	59135154	ORYGKQJPPIYECD-AWNIVKPZSA-N	511.687	4.300	10	40	KICB	
COc1cc(OC)c([C@@]2(O)CN(c3ccc(Br)cc3)C3=[N+]2CCCS3)cc1Br	97971290	XSMGJSQNARQLRN-FQEVSTJZSA-N	529.274	4.400	10	40	KICB	
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3C)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21	101377534	OLWPHQFXZUPAKJ-PCLIKHOPSA-N	550.637	4.239	10	40	KICB	
COC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)C3=O)o2)cc1	105915069	URXDXQHCIBMSRP-ODLFYWEKSA-N	535.515	4.054	10	40	KICB	
O=C(COc1c(Br)cc(C=C2C(=O)NC(=O)NC2=O)cc1Br)Nc1ccc(Cl)c(Cl)c1	408550044	AWZGIWUWUFKJII-UHFFFAOYSA-N	592.027	4.285	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C)c(C)c4)c(OC)c3)C2=O)cc1	408795138	BMWDDZBMAROXMJ-OEAKJJBVSA-N	514.534	4.344	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	408982993	KGTXXBABNAXFLD-JLHDDXNDSA-N	629.735	4.400	10	40	KICB	
CCOc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OC(=O)c1cccs1	9216421	IXNRLVSHSDGNEE-LXEXHQCYSA-N	503.565	4.428	10	40	KICB	
CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c1	97961039	LAXFUYDCYDGAKO-XUVWKZFSSA-N	554.719	4.170	10	40	KICB	
Cc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c(C)n1-c1cccc(Br)c1	102482040	PUPCVQATZPHRFE-RNDHPAASSA-N	539.459	4.488	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C	108629684	WGPVAGWSQCENGR-JAIQZWGSSA-N	500.598	4.122	10	40	KICB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(s/c(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c2=O)=N1	408826308	GECAQTZRQLJFGQ-YVBHXKDBSA-N	613.692	4.413	10	40	KICB	
CCCOc1ccccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OC)c(=O)n21	409018234	TWLKYORCJADDSI-HSUOJCLFSA-N	593.746	4.068	10	40	KICB	
CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(s/c(=C/c3ccc(N4CCCC4)cc3C)c2=O)=N1	409056260	GKUSCWPLNXZQJS-QWYUUOJISA-N	545.705	4.496	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccccc1	409064130	GLILSXLAWXRCRP-XDHOZWIPSA-N	544.944	4.312	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(Cl)cc4)cc3)C2=O)cc1	409068700	UUNXAOYAPJTUAM-PXLXIMEGSA-N	526.954	4.173	10	40	KICB	
CCc1cccc2c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cn(CC(=O)NC[C@@H]3CCCO3)c12	409130548	INKVBDYTGDKGMV-ZIHVZMLCSA-N	509.653	4.493	10	40	KICB	
COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1	658176	YILLWQORDZVFPU-JLPGSUDCSA-N	541.025	4.327	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1	2063082	UDAQUGISLYDNFS-GTWFGUSFSA-N	515.610	4.345	10	40	KICB	
O=C(N[C@@H](c1ccccc1)[C@H](O)C(=O)OCc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccccc1	8655941	MHQSGAKVNWJEHS-WNJJXGMVSA-N	505.526	4.037	10	40	KICB	
CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@]2(SC(=S)N(Cc3ccco3)C2=O)[C@]12C(=O)Nc1ccc(F)cc12	103019411	DEGMUQLPHYVTCX-BTZRARBUSA-N	538.582	4.003	10	40	KICB	
Cc1cc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc(C)c1Br	408690639	WEOAYTFUYOWOKA-VSKRKVRLSA-N	539.426	4.110	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1	408695342	RZBQJRYKPKEVLI-UDWIEESQSA-N	617.440	4.420	10	40	KICB	
O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)C1=O)Nc1ccccc1N1CCOCC1	409204830	LIULLLOCWVUTKC-HZHRSRAPSA-N	533.562	4.156	10	40	KICB	
Cc1cc(C(=O)[C@@H](C)OC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(C)n1-c1ccc(OC(F)F)cc1	3278883	RLUOGFFXRNYQTA-QGZVFWFLSA-N	520.554	4.374	10	40	KICB	
COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)Nc2ccc(Cn3cnnc3)cc2)cc1	20288895	YPNKLZKDVZIPMS-BWAHOGKJSA-N	509.526	4.380	10	40	KICB	
Cc1ccc(C(C)C)c(OCCOc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)c1	97964385	LJNZTDJXQKBAKF-NKFJNAIASA-N	526.640	4.197	10	40	KICB	
COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(C(=O)OCCN(C)C)cc3)C2=O)cc1OC	101005600	IDZPLEJOFRRQSN-QJOMJCCJSA-N	557.694	4.042	10	40	KICB	
Cc1ccc(OCCOc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2Cl)cc1C	101394719	VTGBNJMTMZXQRF-MPZQNCSBSA-N	533.031	4.036	10	40	KICB	
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1OCc1ccc(Cl)cc1Cl	102817708	MFNGDBUHHGWZOD-UHFFFAOYSA-N	561.159	4.325	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc(Br)c1OCc1ccccc1	408936443	GKMKNJBZBQVFQE-YBFXNURJSA-N	551.349	4.401	10	40	KICB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC	409098547	ITHCRNMTBLRJKL-PQRKSKNISA-N	599.713	4.428	10	40	KICB	
Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)cc2)cc1Cl	409269073	DOXPCMGFGZLPPN-CIAFOILYSA-N	507.905	4.471	10	40	KICB	
O=C1[C@@H]2[C@H](c3ccccc3O)N[C@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@@H]2C(=O)N1c1ccc(Cl)cc1	9487673	RGTNXIYIQXCACV-TVQWTUMOSA-N	515.953	4.043	10	40	KICB	
Cc1ccc(Nc2ccc(Nc3ccc(C)cc3S(=O)(=O)O)c3c2C(=O)c2ccc(O)c(O)c2C3=O)c(S(=O)(=O)O)c1	68601187	NHUODSVVKYFLHQ-UHFFFAOYSA-N	610.622	4.471	10	40	KICB	
Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(I)cc4)C(=O)[C@@H]23)cc1	100414971	BSQRRGBVQCWNAM-BHIFYINESA-N	563.347	4.295	10	40	KICB	
COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3cccc[n+]3[O-])cc2c(=O)n1-c1ccc(N)cc1	139431301	QCDDWRBKSFODJB-UHFFFAOYSA-N	583.597	4.265	10	40	KICB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1cc(Cl)ccc1O	223133234	USQNLASGNNASKB-RPBOFIJWSA-N	512.079	4.153	10	40	KICB	
CCC(=O)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2OC)C1=O	408537323	VGXBXSYGEVJEEB-LCYFTJDESA-N	552.175	4.202	10	40	KICB	
CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1	408779768	KDBUWLYJPDLXID-SYQPQHDQSA-N	518.610	4.245	10	40	KICB	
CCOC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OC	408852480	GEPQZNTWZUMAQB-KPKJPENVSA-N	635.263	4.380	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	409018953	XRHMQMRNHGHJDF-JLHDDXNDSA-N	612.752	4.367	10	40	KICB	
CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCCC5)cc4)c(=O)n32)cc1	409054551	BPWRYLQOOVKDFJ-WHNPURCTSA-N	531.678	4.186	10	40	KICB	
NCC[C@H](Oc1ccc(/N=N/c2ccc3c(c2)OCCOCCOCCOCCO3)cc1)C(=O)Nc1ccc2c(c1)OCCOCCOCCOCCO2	1775962704	XOOSCXWWXSWFLT-ANTMBVTHSA-N	754.834	4.479	10	40	KICB	
CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCOC)C2=O)c1	97947397	QOXUWYPZDFAJKR-QJOMJCCJSA-N	556.735	4.417	10	40	KICB	
CCOc1cc(/C=C2\C(=O)N(c3ccc(CC)cc3)C(=O)N=C2O)cc(I)c1OCC(=O)O	97960596	VLJQAPCQTLSBDM-SXGWCWSVSA-N	564.332	4.222	10	40	KICB	
CC(=O)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O	408537005	UIFKEPHNXYIGOM-AUWJEWJLSA-N	542.567	4.457	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1cccs1	408727345	RLKLEKHHAGJIFH-NLZIUFDSSA-N	503.649	4.267	10	40	KICB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(OC)c(I)c3)C2=O)cc1	408984667	SKKJSAJNAUEQOJ-ZSOIEALJSA-N	555.166	4.291	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	408990752	LQXHNKZWFPWGPS-RISWYLRJSA-N	592.073	4.476	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)cc3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC	409058963	PWFDQVGQCLPREE-GJFKPFFXSA-N	538.069	4.061	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(Sc4nc(C)cc(O)n4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	409096605	LNHMZNAJBJNNNC-CEMPLAKHSA-N	656.584	4.175	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc(I)c1OC	409123169	FOLNKIDGCRUCHD-OQLLNIDSSA-N	536.391	4.147	10	40	KICB	
CCc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3OCC(=O)Nc3ccccc3)C(=O)NC2=S)cc1	409378403	PEMXIDNQTZLJKM-CJLVFECKSA-N	515.591	4.106	10	40	KICB	
COCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc4c(c3)C(=O)c3ccccc3C4=O)cc12	6142770	MQKLFACOLADHHM-UHFFFAOYSA-N	519.531	4.121	10	40	KICB	
COc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OC(=O)c1ccc(F)cc1	9281149	BADUDYGZHIMOKA-VHLAIDERSA-N	501.499	4.116	10	40	KICB	
O=C1[C@@H]2[C@H](c3ccccc3O)N[C@@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@@H]2C(=O)N1c1ccc(Br)cc1	97956736	YHCPPBZNPZUVIH-HXFQDRMMSA-N	560.404	4.152	10	40	KICB	
Cc1ccccc1[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12	100497462	JIPHVOKKOBXSDY-FDFHNCONSA-N	516.347	4.453	10	40	KICB	
CCOC(=O)COc1c(I)cc(/C=C2/SC(=S)N(CC(C)C)C2=O)cc1OC	101603233	UWRYIKXKWMGEAA-OVCLIPMQSA-N	535.425	4.099	10	40	KICB	
CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\Nc1cc2c(cc1Br)n(C)c(=O)n2C	408531573	KTLZRFSQUGPDNU-UVTDQMKNSA-N	519.197	4.121	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	409048645	UARKPHXINIVOAO-RGVLZGJSSA-N	564.938	4.249	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)ccc1OCC(=O)N1CCOCC1	409193926	HYHPSKBYNRMHRC-XKZIYDEJSA-N	549.070	4.391	10	40	KICB	
Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2Cl)cc1C	409256125	JYQVQEGYIKOWGY-MTJSOVHGSA-N	519.941	4.346	10	40	KICB	
CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c1	2220536	IDEBTTYCSLNENK-YRXLECQKSA-N	525.677	4.326	10	40	KICB	
CCOCCCN1C(=O)/C(=C\c2c(N3C[C@@H](C)C[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S	13647160	CRJICTMTYYSERK-OQSZKCJDSA-N	500.690	4.113	10	40	KICB	
O=S(=O)(c1ccc([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@@H]32)cc1)N1CCOCC1	32192970	QMUANPPAJBPXTK-IPJJNNNSSA-N	522.408	4.139	10	40	KICB	
COc1ccc(/C=C2\C(=O)NC(=O)N(CCc3ccc(F)cc3)C2=O)cc1COc1ccc(NC(C)=O)cc1	97968473	QIXRLGZQLKNCBA-PCLIKHOPSA-N	531.540	4.076	10	40	KICB	
COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H](c3ccc(C)cc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C1=O	101489760	AHBRPXHEGVOOHM-YTFSRNRJSA-N	501.922	4.352	10	40	KICB	
CCOc1ccc2c(c1)C(=C1SC(C(=O)OC)=C(C(=O)OC)S1)C(=S)C(C)(C)N2C(=O)[C@@H]1CCCO1	105580326	YVQDFTGRQIYQML-INIZCTEOSA-N	549.692	4.466	10	40	KICB	
CCN(C(=O)CN1C(=O)/C(=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)c2ccccc21)c1ccccc1	105965239	UPBVCSGZMLGYIT-QURGRASLSA-N	548.671	4.064	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)cc(Br)c1OC(C)C	409111232	AZTJNKZWUVMVIB-CXUHLZMHSA-N	549.443	4.484	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409237837	JWSPPUAMEJNSNV-YVLHZVERSA-N	554.431	4.457	10	40	KICB	
Cc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1sc2c(c1C(=O)O)CCCC2	409387150	UFXNEGZXCWKPJP-NDENLUEZSA-N	536.585	4.403	10	40	KICB	
Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	96298821	VUAMWUGAEXTRGG-FKBYEOEOSA-N	516.347	4.453	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)c(NCCCn3ccnc3)nc12	100863535	KCZKZEGGVLEFEU-STZFKDTASA-N	534.642	4.242	10	40	KICB	
CCN1/C(=c2/s/c(=C3/C(=O)N(c4ccccc4)N=C3C)n(CCc3ccccc3)c2=O)Sc2ccccc21	102141050	VTKICZFIJFCTPS-LQJPZNDESA-N	538.698	4.424	10	40	KICB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c(OCc2ccc([N+](=O)[O-])cc2)c1	408803357	NXZZUQAVGZYFAN-LPYMAVHISA-N	501.495	4.466	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Br)c1OCC(=O)O	408859454	WXZACIZPQWYFRW-BJMVGYQFSA-N	560.209	4.059	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1	408903032	OCNQHDRUUUKEIJ-VXLYETTFSA-N	633.345	4.262	10	40	KICB	
O=C1NC(=O)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)cc1	408934498	BCQZCUFRIVOAAU-FYJGNVAPSA-N	521.323	4.393	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1cccc(C(=O)O)c1	409374317	MFXHURWOJPXCPX-VXLYETTFSA-N	569.364	4.380	10	40	KICB	
COc1cc([C@H](CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c2oc(C)cc(=O)c2O)ccc1O	604403940	FHTHPOSCQDDYRK-DQEYMECFSA-N	549.668	4.299	10	40	KICB	biogenic
CCOc1ccccc1C(=O)NN1C(=O)c2cc(I)ccc2N[C@@H]1c1cc(OC)ccc1O	2745581	HNYAXALPLNOZSY-QFIPXVFZSA-N	559.360	4.316	10	40	KICB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(N2CCOCC2)cc1	113624918	OUTCUAXGWHDZLS-UHFFFAOYSA-N	534.465	4.342	10	40	KICB	
CC(C)CN1C(=O)/C(=C/c2cc(I)cc(I)c2O)SC1=S	409034724	QVBCHPHIJWMQPZ-WCIBSUBMSA-N	545.205	4.459	10	40	KICB	
CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(N(CC)CC)cc4O)c(=O)n32)cc1	409038183	ZTOCIXLTCJHZQB-QTTRZTASSA-N	549.693	4.137	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1C	409260074	KITJAYNADJKWBZ-ODLFYWEKSA-N	535.940	4.047	10	40	KICB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1C	409269916	BBGRTMHMWWVGBI-XKZIYDEJSA-N	519.941	4.346	10	40	KICB	
O=C(COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Br)Nc1ccc(F)cc1	409366172	YMJFFGOWSRSISV-ODLFYWEKSA-N	583.326	4.180	10	40	KICB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1	2063525	XDOUIMCIFZEDMR-YMSBRDKKSA-N	554.510	4.360	10	40	KICB	
Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)c1C	6442784	PTZLKAFQRAASFL-VWLOTQADSA-N	548.713	4.344	10	40	KICB	
Cc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4O)N[C@@](Cc4c[nH]c5ccccc45)(C(=O)O)[C@@H]3C2=O)cc1C	9450912	MTYRNJBYRTZUPC-YYZJCXNBSA-N	509.562	4.007	10	40	KICB	
O=C1[C@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)C1(O[C@H]2c2ccc(Br)cc2)C(=O)c2ccccc2C1=O	100497474	OZGITDSQJXVSFG-HBMCJLEFSA-N	547.317	4.052	10	40	KICB	
COc1ccc(CCN2C(=O)/C(=C3\SC(=S)N(CCc4ccc(OC)c(OC)c4)C3=O)SC2=S)cc1OC	101016885	DSDVHHTZEGUKMV-QURGRASLSA-N	590.770	4.438	10	40	KICB	
C[C@H](NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1)c1ccc(N2CCCCC2)cc1	224708472	FPRLBOIDLQYSCG-HNNXBMFYSA-N	506.053	4.474	10	40	KICB	
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccccc1OCc1ccc(I)cc1	408857991	QYJKFXURBZRUDD-YBFXNURJSA-N	568.323	4.265	10	40	KICB	
Cc1cccc(NC(=O)Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(=O)O)cc4)C3=O)c3ccccc32)c1	409192953	HNRSMPDMVGCZDM-OEAKJJBVSA-N	538.585	4.118	10	40	KICB	
Cc1c(NC(=O)CCN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)c(=O)n(-c2ccccc2)n1C	1233951	AAIGOHWGQFBNRM-RGEXLXHISA-N	557.495	4.477	10	40	KICB	
Cc1c(N2C(=O)/C(=C/c3ccc(O)c(Br)c3)SC2=S)c(=O)n(-c2ccccc2)n1C	36617149	XQKLYPISTRPIFP-BOPFTXTBSA-N	502.415	4.358	10	40	KICB	
CCOC(=O)c1c(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)c2C)sc2c1CCCC2	59534731	JZVUXNMUSPDTJW-DEDYPNTBSA-N	521.595	4.466	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCCCC(=O)O)C3=O)c(N3CCN(c4ccc(F)cc4)CC3)nc12	97946888	VFAYVPLPQHMXJU-NKFKGCMQSA-N	595.722	4.315	10	40	KICB	
COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(=O)OC)c1C	223743207	OPAJZOLOEKLOIJ-JWQCQUIFSA-N	506.628	4.201	10	40	KICB	
C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)CCCN(c3ccc4c(c3)OCCO4)S(C)(=O)=O)cc2)C1	260843263	PWAVAOBMMQQXKP-SFTDATJTSA-N	515.676	4.118	10	40	KICB	
CCc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\Nc2nc3ccc(Cl)cc3s2)C1=O	408529770	HWLPXLSDGTVPER-UKTHLTGXSA-N	505.781	4.853	10	40	KICB	
COc1ccc(OC)c([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCCCC5)cc4)c(=O)n32)c1	409058870	LWIJOQCLUGPCMM-YNMQQHPQSA-N	561.704	4.194	10	40	KICB	
CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(s/c(=C/c3ccc(N4CCCC4)c(C)c3)c2=O)=N1	409061292	ZATSMACHCAKFTC-RYOBIWAXSA-N	545.705	4.496	10	40	KICB	
CCc1cccc2c(/C=C3\SC(=S)N(Cc4cccnc4)C3=O)cn(CC(=O)NC[C@@H]3CCCO3)c12	409123136	FCCBSWVGPXVUNG-DZCITIIWSA-N	520.680	4.295	10	40	KICB	
COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c1OCc1ccc(C(=O)O)cc1	409188353	YJKTUMPNZBAFQU-UDWIEESQSA-N	551.349	4.401	10	40	KICB	
COc1ccc(N2C(=O)[C@H]3[C@H](c4ccccc4Br)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	8432735	NPKNPXIUMNKCIR-FSSWDIPSSA-N	532.346	4.153	10	40	KICB	
COc1cc(/C=C2/C(=O)N(c3ccc(C)cc3C)C(=O)N=C2O)cc(I)c1OC	59861277	PSRDNLCQHAUIPQ-RIYZIHGNSA-N	506.296	4.432	10	40	KICB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)c(OCC)c(OC)c3)C2=O)cc1	408901095	VLKGQZZZVQOSSG-BOPFTXTBSA-N	550.349	4.154	10	40	KICB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409095351	HERVADFOWXRWRN-LAUBZIAYSA-N	619.744	4.019	10	40	KICB	
COc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(C(F)(F)F)c3)C(=O)NC2=S)c(OC)c1	409112512	DLNLGUHQJVMNQJ-LDADJPATSA-N	501.486	4.345	10	40	KICB	
O=C(COc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccc(O)cc2)C1=O)Nc1ccccc1Cl	409249956	KILVEVKZSDBXJY-PDGQHHTCSA-N	526.332	4.383	10	40	KICB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccccc3OC)C2=O)cc1OC	409370030	JSZXLCCANWJFIG-PGMHBOJBSA-N	559.575	4.177	10	40	KICB	
CCc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(C(=O)OC)o4)c4ccccc34)C(=O)NC2=S)cc1	409390355	FBZMUOXPMNWJGN-HYARGMPZSA-N	513.575	4.463	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3C(=O)/C(=C/c4ccc(Cl)cc4)SC3=S)C2=O)cc1	100143767	FUHIUOJBVQGWJX-LVSMMTLPSA-N	500.985	4.050	10	40	KICB	
COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(C(=O)O)c(O)c3)C2=O)cc1	101007230	ZPUIMZFRVLHJJF-MOSHPQCFSA-N	528.608	4.277	10	40	KICB	
Cc1cccc(C(=O)N[C@H](C(=O)OCC(=O)Nc2cc3c(cc2Cl)C(=O)c2ccccc2C3=O)C(C)C)c1	102777948	HCEFQHUDBGJXLE-VWLOTQADSA-N	532.980	4.360	10	40	KICB	
COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408545247	WXBDNRPDHBEKIB-HYARGMPZSA-N	526.636	4.186	10	40	KICB	
Cc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)C(=O)NC1=S	408778118	BHSUALFEDWUQBG-JJIBRWJFSA-N	500.624	4.070	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccccc1OC(C)C	408836846	WFKCDYUIMQKEKE-RGFRMHDHSA-N	563.720	4.440	10	40	KICB	
COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1	409010544	FOLBKHZZBUYASZ-HYARGMPZSA-N	564.392	4.174	10	40	KICB	
COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1	409185410	LEKBFZQGUGRTGH-XYGWBWBKSA-N	615.502	4.445	10	40	KICB	
O=C1[C@H]2[C@H](C(=O)N1c1ccccc1)C1(O[C@H]2c2ccc(Br)cc2)C(=O)c2ccccc2C1=O	101099857	LKDDVTHACFNPGB-HBMCJLEFSA-N	502.320	4.144	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	150481332	XPBKRPOUNCKUNB-UDWIEESQSA-N	632.432	4.351	10	40	KICB	
COc1ccc(N2CCN(S(=O)(=O)c3ccc(OC)c(NC(=O)c4ccc(Cl)cc4)c3)CC2)cc1	408557890	ONYITISZBDTYRY-UHFFFAOYSA-N	516.019	4.120	10	40	KICB	
CCc1cc(Br)ccc1NC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O	408682800	GXGHRQKLJWXTSF-XJUOHMSHSA-N	539.426	4.056	10	40	KICB	
CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1I	408903869	AQADMUKYUYQIAE-MHWRWJLKSA-N	506.365	4.138	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1	408912803	SAWIHGFQGGJRGJ-VXLYETTFSA-N	568.355	4.281	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Br)c1OCc1ccc(I)cc1	408915109	UWMPNMZOJWYBSJ-OVCLIPMQSA-N	601.260	4.288	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(Br)c(Br)c1O	409129554	HBPNFPDLBSGALB-KPKJPENVSA-N	540.233	4.374	10	40	KICB	
Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2Br)c(C)c1	409259941	IBUPDTHIUTWFHI-NDENLUEZSA-N	564.392	4.455	10	40	KICB	
CC[C@H](C)N1C(=O)/C(=C/c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC1=S	26842019	DCDRBUZSDHWAAY-TYYMKKSVSA-N	523.659	4.160	10	40	KICB	
C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N(C)C3=O)c2)C[C@@H](C)O1	97947321	HWPPJWYZIJNTIA-OWLAEVIISA-N	554.719	4.168	10	40	KICB	
CN1CCc2c(sc3c2C(O)=N[C@@H](c2cc(I)cc(I)c2O)N3)C1	102857745	YYBDKEHRUREFDD-CQSZACIVSA-N	567.190	4.080	10	40	KICB	
CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1I	408787182	UAYTXJNYFPURAA-RIYZIHGNSA-N	555.166	4.427	10	40	KICB	
COc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2)cc1	409386567	MWIOEILYJRGKJY-LPYMAVHISA-N	519.941	4.341	10	40	KICB	
CC(C)OC(=O)COc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br	409398871	FJBIVIFNXYXMPK-NVNXTCNLSA-N	538.192	4.003	10	40	KICB	
CN(C)c1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccc3c(c2)OCO3)C(=O)Cn2nnc3ccccc32)cc1	906015	OGDOFDZZTRXXMC-HKBQPEDESA-N	568.678	4.445	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1cccc(C(=O)O)c1	2228145	RLTVVSHFSXGQJJ-FYJGNVAPSA-N	502.548	4.112	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1	100189796	YWDHQGBKWRWAML-LAUBZIAYSA-N	593.746	4.451	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(OC(C)=O)cc4)c3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409031413	AODLDEDHJMIUNB-FPWMYLJGSA-N	687.771	4.082	10	40	KICB	
COc1ccc(N2CCN(c3ccc([N+](=O)[O-])c(N4CCN(c5ccccc5OC)CC4)c3)CC2)cc1	8816621	JHZYSTPUGKBLHI-UHFFFAOYSA-N	503.603	4.265	10	40	KICB	
COC(=O)c1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)cc1	13025081	SLXFNJCIHKHEKS-MHZLTWQESA-N	531.609	4.350	10	40	KICB	
CCCCCCN1C(=O)/C(=C\c2ccc(OC)c(COc3ccc(NC(C)=O)cc3)c2)C(=O)NC1=S	13774141	QQSZBJRJTSFJIJ-KQWNVCNZSA-N	509.628	4.440	10	40	KICB	
CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)[C@@H]1/N=N/c1ccc(S(N)(=O)=O)cc1	100524900	MMHVJLIKZOAQBH-GSWFEHRJSA-N	519.406	4.095	10	40	KICB	
CCN(c1ccc(OCC(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1)S(=O)(=O)c1ccccc1	103096195	UJLHRGRYMZMLOU-UHFFFAOYSA-N	598.633	4.238	10	40	KICB	
CCN(CC)c1ccc(CNC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(OC)c(OC)c3)cc2)cc1	225545402	VVHIIDOEQFHXFJ-UHFFFAOYSA-N	511.644	4.305	10	40	KICB	
O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(I)c1	408692358	KQJMERPCGBSOCY-WOJGMQOQSA-N	534.325	4.414	10	40	KICB	
COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C(=O)NC2=S)c(OC)c1	409099814	UGWXSWAXASKZIB-YBEGLDIGSA-N	512.927	4.147	10	40	KICB	
CCOC(=O)[C@@H]1CCCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(C3CCCCC3)C2=O)C1	97957605	ACRKWKGQLPVWIA-ISPGYRLHSA-N	540.711	4.316	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	408531404	GVKRAOFXEFAKTN-BZDIYGFGSA-N	557.515	4.287	10	40	KICB	
COC(=O)c1cccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)c3ccccc32)c1	408544911	WABLSNNSXUKHPK-KGENOOAVSA-N	513.550	4.447	10	40	KICB	
COc1cc(I)c(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1OC	408723258	SGLXJKSLFBCLPY-VZUCSPMQSA-N	563.200	4.447	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4Cl)c(OC)c3)C2=O)cc1	409267776	WHSUSONAQWLWNH-CPNJWEJPSA-N	535.940	4.041	10	40	KICB	
CCCOc1c(Br)cc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc1OCC	96193402	RHZYSSOIKGLUBE-WQRHYEAKSA-N	522.421	4.090	10	40	KICB	
CCOc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)ccc1OCc1ccccc1F	101077277	WOLQPJXQJLABKP-ICQDDBCESA-N	535.601	4.435	10	40	KICB	
CN1C(=O)[C@]2(c3cc(Cl)ccc31)N(C)C[C@@H](c1ccccn1)[C@@]21SC(=S)N(Cc2ccco2)C1=O	102899013	FJVPZIUKYZDSRG-WDNCENIBSA-N	525.055	4.028	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccccc1	409074955	OZHPEGLXKUUJPG-YBFXNURJSA-N	571.951	4.081	10	40	KICB	
COc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OC(C)C)c(OC)c3)C(=O)NC2=S)c(OC)c1	409102362	YZQSVMMXOWOWGZ-OVCLIPMQSA-N	535.416	4.093	10	40	KICB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCC(=O)Nc3ccc(F)cc3)C2=O)cc1Cl	409361183	ADPYMIQLVODJFN-UDWIEESQSA-N	507.905	4.471	10	40	KICB	
COc1ccc2c3c(n(C[C@@H]4c5c(cc6c(c5OC)OCO6)CCN4C)c(=O)c2c1OC)-c1ccccc1C3=O	604405066	VFXLONQHIZUXRW-HXUWFJFHSA-N	540.572	4.197	10	40	KICB	biogenic
COc1ccc2c(c1)C=C[C@H]1N2[C@@H](C(C)=O)[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12	9009274	LJXNRCKOTYLNFS-DAMQTCOWSA-N	509.518	4.166	10	40	KICB	
COc1ccc(N2CCN(C(=O)CN(C3CCCCC3)S(=O)(=O)c3ccc(OC)c(Cl)c3)CC2)cc1	106149629	JFAZNXJDGOCPGE-UHFFFAOYSA-N	536.094	4.029	10	40	KICB	
CNCc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)[C@@](C)(OC=C[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)C=CC=C(C)C(=O)N2)O4	263606026	QKOQHNFJQIUIDQ-BJJRCQDQSA-N	740.847	4.474	10	40	KICB	
COc1ccc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)cc1	408536596	SEJDDDNLQCXJKI-ZHZULCJRSA-N	568.323	4.185	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(N4CCCCC4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	408861149	OBNXYRHITMLDGG-GOOXQAOHSA-N	599.551	4.210	10	40	KICB	
Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)cc2Cl)cc1	408902527	JBWPKSUUCSLMTR-UDWIEESQSA-N	507.905	4.471	10	40	KICB	
COc1cc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc(Cl)c1OCc1cccc(C(=O)O)c1	409106160	MILYSFVJDAFQTH-LICLKQGHSA-N	507.973	4.302	10	40	KICB	
Cc1ccc(C)c(NC(=S)NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccccc2C(=O)O)c1	14356500	AEYOULMPUOLUJK-UHFFFAOYSA-N	515.573	4.024	10	40	KICB	
COc1ccc(/C=C2/SC(=S)N(CCC(=O)N3CCN(C4=NC(=O)/C(=C\c5ccccc5)S4)CC3)C2=O)cc1	101002843	LTLOVDIMWNQLMO-SKWBHROBSA-N	578.741	4.101	10	40	KICB	
COc1ccc([C@H]2CN(C)[C@]3(C(=O)N(C)c4ccc(F)cc43)[C@]23SC(=S)N(Cc2ccco2)C3=O)cc1OC	101543009	OZJVRWZLISMEPM-NFTQTCPJSA-N	567.664	4.136	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	408533073	JJACWRKXOXXDSB-CIAFOILYSA-N	576.558	4.005	10	40	KICB	
CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC	408809472	OBSMGKDSRFNNRN-VGOFMYFVSA-N	526.714	4.018	10	40	KICB	
CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(O)c(Br)c3)C(=O)NC2=S)cc1	409383687	ZUHJFEUXMCZWHP-NTUHNPAUSA-N	510.207	4.311	10	40	KICB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c(OS(=O)(=O)c2ccc(C)cc2)c1	408889678	IXBPMHGEOMXMEN-HYARGMPZSA-N	520.563	4.055	10	40	KICB	
COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc(I)c1OCC(=O)O	408970322	FYYTUVKKQGRTFP-QPEQYQDCSA-N	546.239	4.112	10	40	KICB	
CC(=O)NC1=NC(=O)/C(=C/c2c(Br)cc(Br)c(OC(C)=O)c2Br)S1	408976869	ULPWTEWOXYAGPL-KMKOMSMNSA-N	541.015	4.006	10	40	KICB	
O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)C1=O)Nc1ccc(N2CCOCC2)cc1	409197087	VQIJODMDTBIJTG-HZHRSRAPSA-N	533.562	4.156	10	40	KICB	
Cc1ccccc1NC(=O)COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-]	409399798	MNWCFBVFLFFSEH-UNOMPAQXSA-N	506.902	4.036	10	40	KICB	
COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OC(=O)c1ccccc1F	41078415	ROEGXCDWNFHMBG-GDBFUGMMSA-N	500.280	4.266	10	40	KICB	
COc1ccc(/C=C2/SCN(CCC(=O)N3CCN(C4=NC(=O)/C(=C\c5ccc(C)cc5)S4)CC3)C2=O)cc1	101001722	ZMXBLAUPMCSIGU-WZGDJCGDSA-N	562.717	4.082	10	40	KICB	
COc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC	105049272	UZYRGGDXIJRPJT-UYRXBGFRSA-N	535.940	4.041	10	40	KICB	
Cc1ccc(COc2c(Br)cc(/C=C3\C(=O)NC(=S)N(C)C3=O)cc2Br)cc1	408913605	MKOGQXWCCUJTNU-VGOFMYFVSA-N	524.234	4.356	10	40	KICB	
O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1	409075508	RDSHPPJGOVIMLN-LICLKQGHSA-N	622.247	4.351	10	40	KICB	
CCN(CC)C(=O)Cn1cc(/C=C2\SC(=S)N(CCOC)C2=O)c2cc(Br)ccc21	409148970	VEMMKVZBMFDDAJ-ZDLGFXPLSA-N	510.479	4.120	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	409372231	JPYMIPKQUNKXOI-GIJQJNRQSA-N	556.325	4.200	10	40	KICB	
COc1ccc(N2CCOCC2)cc1C(=O)N1CCCCCCCN(C(C)=O)c2cc(CN3CCOCC3)ccc2C1	643559739	IIWQQHWHGHEOGZ-UHFFFAOYSA-N	578.754	4.323	10	40	KICB	
Cc1cc(C(=O)COC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)c(C)n1-c1ccc2c(c1)OCO2	2634925	LRMSAMLOJQEGDC-UHFFFAOYSA-N	543.553	4.240	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	8443483	NTOUSVVNXFHASO-UQDCTOEPSA-N	575.662	4.362	10	40	KICB	
COc1ccc(/C=C2/C(=O)N(c3cccc(F)c3)C(=S)N=C2O)cc1CN1C(=O)c2ccccc2C1=O	17028563	ISDXCABXGYHZSL-CIAFOILYSA-N	515.522	4.302	10	40	KICB	
COc1ccc(/C=C2/SC(N3CCN(C(=O)CCN4C(=O)/C(=C/c5cccs5)SC4=S)CC3)=NC2=O)cc1	103453921	UCEUHPSCNWAADK-BEAOVJJGSA-N	584.770	4.163	10	40	KICB	
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1	103845328	BDPOZHKXRHAMRE-GIJQJNRQSA-N	566.320	4.331	10	40	KICB	
Cc1ccc(NC(=S)N/C=C2\C(=O)NC(=O)N(c3cc(C)c(Br)cc3C)C2=O)cc1C	408534293	QEIXBOVGFPZLCO-MHWRWJLKSA-N	501.406	4.136	10	40	KICB	
COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(Br)cc1OCC(=O)O	409038432	VJTILJOHCWLOAT-YCRREMRBSA-N	535.219	4.423	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1	409057946	LZXKOQOTMZFJNN-OGRZUZBBSA-N	533.719	4.429	10	40	KICB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)C1=O	409255242	YOUYNJVQNULULU-PXLXIMEGSA-N	526.524	4.484	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1C	409406543	KJYNPISDMXUZSC-MOSHPQCFSA-N	597.409	4.477	10	40	KICB	
COc1ccc(N2CCN(c3cc(N4CCN(C(=O)c5ccccc5F)CC4)ccc3[N+](=O)[O-])CC2)cc1	9601671	WFVROWRMVSAMPU-UHFFFAOYSA-N	519.577	4.032	10	40	KICB	
COc1ccc(N2CCN(C(=O)CN(c3cc(C)ccc3C)S(=O)(=O)c3ccc(C)cc3)CC2)cc1	20061005	YYEDRUDPCHIIJU-UHFFFAOYSA-N	507.656	4.165	10	40	KICB	
COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)c1	223186124	GRACKDLTKRWRRE-SVBPBHIXSA-N	505.688	4.193	10	40	KICB	
CCCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc1OC	408804356	XWBNUMLLLAICBC-MHWRWJLKSA-N	534.350	4.372	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	409018248	SLRPIDLDZAUDMQ-ITNPZBTBSA-N	629.735	4.318	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)N1CCCC1	409268940	ZYGBFTLJNCYVCU-QRVIBDJDSA-N	526.636	4.217	10	40	KICB	
COc1ccc(N2CCCCC2)cc1C(=O)N1CCN(c2ncccn2)CCCN(C(C)=O)c2ccccc2C1	643555288	YSMJRKLGLOIZBZ-UHFFFAOYSA-N	542.684	4.381	10	40	KICB	
CC[C@@H](C)N1C(=O)/C(=C/c2c(N3CCN(c4ccccc4)CC3)nc3c(C)cccn3c2=O)SC1=S	1450041	NBLWOEUOWJWYJI-YQPBSLOJSA-N	519.696	4.329	10	40	KICB	
Cc1c(C(=O)O)cccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)o1	2143982	FIWPCYWFRBHSDE-UFFVCSGVSA-N	506.492	4.357	10	40	KICB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1cccc(C(=O)O)c1	2248773	DMHFQOCCRLUAKB-RGVLZGJSSA-N	508.328	4.221	10	40	KICB	
COc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2OC)cc1	3977038	CRKMPLULNHMWNX-WTPQPOPRSA-N	529.578	4.224	10	40	KICB	
COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)[C@H](C(=O)c2ccc(OC)c(OC)c2)[C@]12C(=O)Nc1ccccc12	70672417	ZOBFHNYEIRCFPU-NLOYNPKYSA-N	524.573	4.275	10	40	KICB	biogenic
COc1ccc(CCN2C(=O)/C(=C/c3c(N4CCCC4)nc4c(C)cccn4c3=O)SC2=S)cc1OC	100907082	IQRKAWVBYHZZOG-JWGURIENSA-N	536.679	4.064	10	40	KICB	
CCOc1c(I)cc(C=C2C(=O)OC3(CCCC3)OC2=O)cc1I	104660620	ISQCEVHLWMZPMQ-UHFFFAOYSA-N	554.118	4.048	10	40	KICB	
O=C1NC(=O)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1	408937762	JTMNUBFXZWJCTJ-UDWIEESQSA-N	566.320	4.301	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)cc(I)c1OCC(=O)N1CCCC1	409243420	WHTLQECGVRNHSN-BOPFTXTBSA-N	560.479	4.301	10	40	KICB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)Nc4ccccc4CC)C3=O)c2C)c1	409245058	MVGJVOFQFURSSB-PCLIKHOPSA-N	514.582	4.365	10	40	KICB	
COc1ccc(N2C(=O)[C@H]3[C@H](c4ccccc4Cl)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c(OC)c1	100635000	ZRWHLENYRZNAOF-VJBWXMMDSA-N	517.921	4.052	10	40	KICB	
CCOc1ccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	113625810	AFHCZKDLNQMEJJ-UHFFFAOYSA-N	544.073	4.087	10	40	KICB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c1C	223232915	HNAWRFWRRJJIEY-JWQCQUIFSA-N	508.648	4.330	10	40	KICB	
O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1cc(Br)ccc1OC(=O)c1ccc2c(c1)OCO2	408536991	UGJVJAGKHMHGSD-YBEGLDIGSA-N	553.296	4.203	10	40	KICB	
Cc1cc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCC(=O)O)c(I)c3)C2=O)ccc1Br	408762302	DOHNQFVHMGHQKM-LFYBBSHMSA-N	711.044	4.097	10	40	KICB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c1C	409137627	XJTGMQOTDMQFCP-UDWIEESQSA-N	504.568	4.459	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(N)=O	409372368	KXXDVFVYZTZYAT-IUXPMGMMSA-N	541.438	4.194	10	40	KICB	
O=C(O)CN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccc(Br)cc3Cl)cc2)SC1=S	97962706	XQKQOIABTHGZKY-FRKPEAEDSA-N	541.832	4.406	10	40	KICB	
COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1I	408780960	OPFHDUJHTRMJMN-VGOFMYFVSA-N	555.166	4.346	10	40	KICB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/C(=O)NC(=O)N(c4ccccc4F)C3=O)cc2Cl)cc1	408880988	JSZMDIVRYNOQAM-ATVHPVEESA-N	514.918	4.222	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCC(=O)Nc3ccccc3)C2=O)cc1	409045411	YHPFUNHQIRIQRA-KGENOOAVSA-N	505.914	4.033	10	40	KICB	
COC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1Br	409339992	OCFQRMBPPXSITE-WOJGMQOQSA-N	507.431	4.473	10	40	KICB	
O=C(NCc1ccccc1)[C@H](c1ccc(N2CCOCC2)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)Cn1nnc2ccccc21	6446252	UAVVAXQOHVWCEF-UMSFTDKQSA-N	618.694	4.083	10	40	KICB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1cccs1	14257398	ZZWKLWAMYDIWQS-MSMNXAATSA-N	515.660	4.063	10	40	KICB	
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)[C@@H]3CCCO3)c3cc(C)ccc32)S1	59471502	AARKAJATUNVRQS-HNNXBMFYSA-N	519.666	4.375	10	40	KICB	
CN1C(=O)[C@@]2(c3cc(Cl)ccc31)N(C)C[C@H](c1cccnc1)[C@@]21SC(=S)N(Cc2ccccc2)C1=O	101387032	KYNOTMXSBHKBMJ-ZFWHIUCFSA-N	535.094	4.435	10	40	KICB	
C[C@@H](C(=O)O)N1C(=O)/C(=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(F)cc2)SC1=S	101964992	TWHKFRFGRQCNNS-PKSBALPTSA-N	539.404	4.280	10	40	KICB	
COc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1N/C=C1\C(=O)NC(=O)N(c2c(C)cc(C)cc2C)C1=O	408532700	QUDWMQVMHDQYPO-PXLXIMEGSA-N	548.621	4.308	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	408990433	VUQKLXZIRYKBFL-FHQMNNMHSA-N	584.698	4.001	10	40	KICB	
COC(=O)C1=C(C)NC(=O)/C1=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1	409016528	DCBOJANRFKCBSK-OEAKJJBVSA-N	526.998	4.284	10	40	KICB	
CCN(CC)c1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2OC(C)C)C(C(=O)OCCOC)=C(C)N=3)c(OC)c1	409020101	ZENBUDWTLTYPSD-PQRKSKNISA-N	593.746	4.067	10	40	KICB	
Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1	409046827	MOISBTFVLILBHF-KGENOOAVSA-N	534.366	4.441	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCC(=O)Nc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1	409219517	RKKYWZGKDZMUSE-RGVLZGJSSA-N	689.846	4.424	10	40	KICB	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N(CCO)Cc3ccccc3)C2=O)cc1OC	8819974	YBPKQQWSGRLAFM-MOHJPFBDSA-N	528.696	4.487	10	40	KICB	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OCc1ccccc1	20207270	RTARSMKHPGMMLX-JLFKZYKSSA-N	512.613	4.064	10	40	KICB	
CCOc1ccc2c(c1)C(=C1SC(C(=O)OC)=C(C(=O)OC)S1)C(=S)C(C)(C)N2C(=O)[C@H]1CCCO1	105580329	YVQDFTGRQIYQML-MRXNPFEDSA-N	549.692	4.466	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCC(=O)OC(C)C	408603011	PRIOLAJHDDBPHC-YVNNLAQVSA-N	544.695	4.474	10	40	KICB	
Cc1cc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC(=O)O)c(Br)c3)C2=O)ccc1Br	408763545	PORBBRKEBZRORB-LFYBBSHMSA-N	617.044	4.412	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409089707	JSQXWMQOTUMSPU-FRKPEAEDSA-N	675.304	4.483	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(C)c(Cl)c4)c3)C2=O)cc1	409262166	FTVBDZQNMHEMSQ-XKZIYDEJSA-N	547.951	4.119	10	40	KICB	
O=C(NCc1ccccc1)[C@@H](c1ccc(N2CCOCC2)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCO2	6446225	DCTIWJCBBDCBNE-MGBGTMOVSA-N	604.667	4.088	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1OC	409381144	CYXRROANGNDQDF-MOSHPQCFSA-N	652.454	4.327	10	40	KICB	
CCCN1C(=O)/C(=C\c2c(N3CCN(c4ccc(F)cc4)CC3)nc3c(C)cccn3c2=O)SC1=S	9461931	CMWJRZVBXBDYKC-LTGZKZEYSA-N	523.659	4.080	10	40	KICB	
O=C1c2cnc3ncnn3c2[C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H](c3cccc(Cl)c3)[C@@H]2N1Cc1ccccc1	97965940	OEGVVYYJFPDBND-DMTNHVFBSA-N	561.985	4.475	10	40	KICB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2Br)C(=O)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1	100392525	MPKFPYYFFKYHDD-ZFGWZWQESA-N	561.480	4.094	10	40	KICB	biogenic,in-vitro
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C	223190008	OSJWVBJBHQYRRV-SXOMAYOGSA-N	550.685	4.101	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1cccc(C(=O)O)c1	408820862	ZXNLAYKWPFOOIN-UDWIEESQSA-N	551.349	4.401	10	40	KICB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c(OS(=O)(=O)c2ccc(C)cc2)c1	408899105	ZBAPRRFYYTZPMA-HYARGMPZSA-N	520.563	4.055	10	40	KICB	
O=C(COc1ccc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc1)N1CCOCC1	409204554	ISVMWEDAYPFGGY-XDHOZWIPSA-N	519.442	4.093	10	40	KICB	
O=C1NN(C2=NNC3(C(=O)N2)c2ccccc2-c2ccccc23)C(c2ccccc2)=N/C1=C/c1ccc(Cl)cc1	1641976	QETSMULIVAOTPT-NLRVBDNBSA-N	545.002	4.389	10	40	KICB	
COc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)ccc1OCc1ccccc1	9345368	SIEIJPDTBDAHNS-ZVPJYGFCSA-N	517.611	4.296	10	40	KICB	
COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(N(C)C)cc5)c(=O)n42)c2ccccc2CC3)cc1OC	33621973	UJUOEOWPPWUISA-PKYOQBLNSA-N	523.658	4.402	10	40	KICB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OCCSc1ccccc1	101396755	YXOKMINSWHGVNF-LCQIMXFNSA-N	544.680	4.266	10	40	KICB	
Cc1cccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2Br)c1	409046362	KEOOXANRYQLOQQ-UDWIEESQSA-N	550.365	4.147	10	40	KICB	
COc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCCC5)c(C)c4)c(=O)n32)c1	409056598	SDDDWGROANHBEE-BIWBSIMWSA-N	531.678	4.104	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1	409363147	JVRISFHTRILUPM-RGVLZGJSSA-N	537.931	4.480	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	408528368	BAXJQJZPXNAWDF-ZSHMZESVSA-N	545.548	4.263	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3OC)C2=O)ccc1OC(=O)c1ccc(Br)cc1	408531971	HQWTXPRCRQRIPF-QGOAFFKASA-N	551.349	4.352	10	40	KICB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	409057260	JLKCVULKHOTBLX-AHNSQEAUSA-N	579.678	4.265	10	40	KICB	
O=C(Cn1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21)Nc1ccc(Cl)cc1	409374342	MYVLHVAFECPTSO-CIAFOILYSA-N	502.914	4.188	10	40	KICB	
CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCN(c4ccc(OC)cc4)CC3)cc2c1	6134103	YFZWSGSZFYBLIE-MUUNZHRXSA-N	543.672	4.339	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccc(C(=O)O)cc1	15223735	GNSVAKUEPXWQSP-XKZIYDEJSA-N	516.575	4.421	10	40	KICB	
CCOc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC	100192767	PKZYUCQQTDXKGK-ZSOIEALJSA-N	526.714	4.018	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	100941619	PYBFTGQGPRGPBA-UQDCTOEPSA-N	602.669	4.131	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@@H]1c1ccccc1OC	101620870	LHSFACLXDMIUHY-XQNWCSQWSA-N	585.682	4.001	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4)c(OC)c3)C2=O)cc1	408809276	KWZYGMZWWFDPFF-PXLXIMEGSA-N	500.507	4.117	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(I)c1OC	408855886	GILYMQWDUPRUGI-UXBLZVDNSA-N	563.200	4.447	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4cccc(C)c4)c(Br)c3)C2=O)cc1	409044252	UXOSZEFOUKEMFD-FYJGNVAPSA-N	564.392	4.450	10	40	KICB	
COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1I	409234264	JRFFNZREQBEVLY-NTUHNPAUSA-N	532.281	4.150	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc(I)c1O	409265311	SDDMINCJJLNEFP-APSNUPSMSA-N	527.361	4.136	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1cccc(C(=O)O)c1	59248733	UMKIPOITHJGOFJ-UDWIEESQSA-N	506.898	4.292	10	40	KICB	
Cc1c(NC(=O)CCCN2C(=O)/C(=C3\SC(=S)N(CCCC(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)SC2=S)c(=O)n(-c2ccccc2)n1C	97966393	VUKVFFJPLVROQS-QVIHXGFCSA-N	805.002	4.352	10	40	KICB	
O=C(Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c2ccccc21)Nc1ccc(Cl)cc1	100364603	SVDOTJQHOWESFX-LPYMAVHISA-N	559.003	4.463	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(N3CCN(c4ccccc4)CC3)nc12	100870223	LEIPPVIWMVVTJW-NKFKGCMQSA-N	531.707	4.473	10	40	KICB	
Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(I)cc4)C(=O)[C@@H]32)cc1	101481306	BSQRRGBVQCWNAM-BDTNDASRSA-N	563.347	4.295	10	40	KICB	
CN(C)S(=O)(=O)c1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCCCC3)=NC2=O)cc1	102626036	NQNKMJZGVRKNJJ-HAVVHWLPSA-N	521.668	4.246	10	40	KICB	
CCC(=O)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O	408538026	YNZXBUAQZRXGMI-DHDCSXOGSA-N	552.175	4.202	10	40	KICB	
COC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)C1=O	408549761	YNCLMCXHLSSWIZ-LPYMAVHISA-N	506.540	4.219	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C	408825181	JHHVYAGCFZYIRL-XSZPGNIMSA-N	584.536	4.414	10	40	KICB	
CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1	408874891	BVGYCTKFLWROKD-PCLIKHOPSA-N	543.576	4.119	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408948386	FYFWIXXJVGSPKF-QGMBQPNBSA-N	551.895	4.231	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	409057616	LJOPPYFMCVONHR-RYOBIWAXSA-N	561.704	4.196	10	40	KICB	
COc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Cl	409385854	KNNAJQMZCUWHIO-AQTBWJFISA-N	521.982	4.197	10	40	KICB	
Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	4083676	XLJBOUXPFLEUII-UHFFFAOYSA-N	535.538	4.302	10	40	KICB	
COc1ccccc1NS(=O)(=O)c1ccc(NNC(=S)Nc2cc(C)cc(C)c2)c([N+](=O)[O-])c1	12541359	ASOZJJKLLMLHRH-UHFFFAOYSA-N	501.590	4.335	10	40	KICB	
COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H](c3ccc(C)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O	18249596	AHBRPXHEGVOOHM-RJGXRXQPSA-N	501.922	4.352	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	100219346	DGKVVWYUCXUTNL-HRIDGTDGSA-N	615.708	4.311	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	408536404	RIJULONOIYLEIX-CRHXMUGCSA-N	557.515	4.287	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OC	408763502	FYPZVQFKESIPMA-RIYZIHGNSA-N	585.192	4.436	10	40	KICB	
Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1	408898047	JUGFPKGVLYGHIO-AQTBWJFISA-N	514.918	4.222	10	40	KICB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1F	409409442	VHOZHZRRGOSQAP-BOPFTXTBSA-N	540.345	4.076	10	40	KICB	
COC(=O)c1cc(-c2ccc(/C=C3\C(=O)N(c4ccc(S(N)(=O)=O)cc4)N=C3C(F)(F)F)o2)ccc1Cl	2168742	DZVHSKPKCCQXPP-BOPFTXTBSA-N	553.902	4.383	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1OC	8450437	FARGUFZFRYLFSU-ISZRBDKASA-N	642.778	4.060	10	40	KICB	
CCOc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OCC(=O)Nc1cccc(SC)c1	9310546	MQZABCREJJWVEH-VXLYETTFSA-N	518.638	4.111	10	40	KICB	
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O	18181597	AWHFENNDWCBMRU-FSSWDIPSSA-N	516.893	4.252	10	40	KICB	
COc1cccc(N2C(=O)N=C3Nc4c(cnn4C(C)(C)C)[C@H](c4cc(OC)c(O)c(O)c4OC)[C@H]32)c1	66091702	ZPZAELBLQZMXRW-RBUKOAKNSA-N	507.547	4.040	10	40	KICB	
COC(=O)C[C@@H](c1cc(F)c(F)c(F)c1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	108447699	JMENGWLUNFMAEC-NSHDSACASA-N	518.396	4.100	10	40	KICB	biogenic
CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1	409013312	UJCZHJSXBLFPCM-PCLIKHOPSA-N	527.577	4.419	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1	409041868	VZAZEWILMSBQKC-PRLWALMFSA-N	579.719	4.146	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br	409070933	NRUVHIDHXYSQSH-KEQCBNTKSA-N	612.546	4.178	10	40	KICB	
COc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O	409377143	FDCJZCAHPRAUBM-RGEXLXHISA-N	505.914	4.033	10	40	KICB	
O=C(NC1CCCCC1)[C@@H](c1ccc(N2CCOCC2)cc1)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21	905915	XRFGPASIKWGDLY-SSEXGKCCSA-N	556.667	4.080	10	40	KICB	
O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1cc(Cl)ccc1Cl	408691188	YRWYBANXKQFXHZ-WFXMLNOXSA-N	501.366	4.038	10	40	KICB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	408815958	JYTDZFWSJMWCKL-LICLKQGHSA-N	542.331	4.464	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408891546	SHNYHXYBDARJCB-BOPFTXTBSA-N	589.395	4.339	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)c([N+](=O)[O-])c4)c3C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409037121	SMOHTRYTDDCNBZ-BQCQJZCVSA-N	688.759	4.373	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)ccc1OCc1ccc(C(=O)O)o1	409385058	IMQQTCWCZREIJT-WOJGMQOQSA-N	506.536	4.014	10	40	KICB	
COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)C(=O)NC2=S)c(OC)c1	59595417	KIHDICFOAKUPLI-HYARGMPZSA-N	504.612	4.009	10	40	KICB	
COC(=O)C[C@H](c1ccc(OC(C)C)cc1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	96114040	QVAIQTXCQZTXTG-QGZVFWFLSA-N	522.506	4.470	10	40	KICB	biogenic
COc1ccc(CCN2C(=O)/C(=C3/C(=O)N(CC(=O)NCc4ccccc4)c4ccccc43)SC2=S)cc1	97946549	UJZISNOUUVHHSV-QPLCGJKRSA-N	543.670	4.172	10	40	KICB	
O=C1[C@@H]2[C@@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	101099864	OZGITDSQJXVSFG-PWRODBHTSA-N	547.317	4.052	10	40	KICB	
O=C(Cn1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c2ccccc21)N1CCOCC1	103842768	NNLJMQOHXZUSSM-UHFFFAOYSA-N	534.572	4.084	10	40	KICB	
COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1	408870428	DMNASQKQFSSRGN-LFVJCYFKSA-N	645.528	4.453	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	408995833	NQMAVDKKZFBSMF-MIUGUJGPSA-N	615.708	4.010	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(N3CCN(Cc4ccccc4)CC3)nc12	100839346	YVBZPFQCXUDVHQ-KQWNVCNZSA-N	533.723	4.182	10	40	KICB	
COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)c1	223186000	GRACKDLTKRWRRE-SXOMAYOGSA-N	505.688	4.193	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc2c(c1)OCO2	408851390	JSODALFCWQWKMN-RGVLZGJSSA-N	504.470	4.199	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409038320	VHNHSZDXVFOZOT-NXYYLBPMSA-N	643.762	4.465	10	40	KICB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OC)c(Br)c3)C2=O)cc1OCC	409191998	SAECIMDEVYWJLH-GZTJUZNOSA-N	517.376	4.307	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	8440644	UEMPXDCVOLNCIE-RGFRMHDHSA-N	558.679	4.411	10	40	KICB	
COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc1	97961974	XRZSGDCQUUWYJH-DEDYPNTBSA-N	525.633	4.320	10	40	KICB	
O=C(CN1C(=O)C[C@H](N2C(=O)/C(=C\C=C\c3ccccc3)SC2=S)C1=O)Nc1cccc(C(F)(F)F)c1	97981078	BYRMONTUGSKGTD-IOGSKZBASA-N	545.564	4.229	10	40	KICB	
COc1ccc(Cl)cc1N(CC(=O)NCc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc(C)cc1	100086783	CLXGROJUVMIRKB-UHFFFAOYSA-N	544.073	4.005	10	40	KICB	
Cc1ccc2nc(N3CCN(c4ccc(F)cc4)CC3)c(/C=C3/SC(=S)N(CC(C)C)C3=O)c(=O)n2c1	100860321	CLRBXFPDFSQNQH-HYARGMPZSA-N	537.686	4.326	10	40	KICB	
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408539535	XCFWMRSKNODETH-UHFFFAOYSA-N	502.523	4.001	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccccc1	409071447	OKPYQONISRWLFJ-XDHOZWIPSA-N	663.402	4.032	10	40	KICB	
Cc1ccc(CN2C(=O)[C@H]3[C@@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	824673	BLAATVRAIPYQGN-XPWALMASSA-N	530.374	4.448	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	111493225	VGQBZFRQIMBYIW-JLHDDXNDSA-N	629.735	4.400	10	40	KICB	
CCOc1cccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(C(=O)O)cc4)c(OC)c3)C(=O)NC2=S)c1	408765599	MLXNIBCFZZGEEB-XKZIYDEJSA-N	532.574	4.202	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(=O)OCC)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409049383	QONLHINELCQLML-JESJEVRBSA-N	701.798	4.333	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccc(Br)cc1	409337312	TXYVLYJHHUSERG-LWUPDDLQSA-N	584.536	4.416	10	40	KICB	
Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCC(C)C)c2ccc(N(C)C)cc2)c(C)c1	6195224	ZNJBNXMCICXZRQ-DEOSSOPVSA-N	536.702	4.057	10	40	KICB	
CCc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@@H]23)cc1	169694393	IPVRXYPKVIERMQ-WXFUMESZSA-N	510.502	4.161	10	40	KICB	
O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OS(=O)(=O)c1ccc(Cl)cc1	409075072	SXYRNDYQAMDMLE-XDHOZWIPSA-N	533.345	4.133	10	40	KICB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(COc4ccc(F)cc4F)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	8450813	IWEBKMGVDZWIMQ-SZYVSPPHSA-N	605.663	4.340	10	40	KICB	
CCOC(=O)[C@@H]1CCCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(C3CCCCC3)C2=O)C1	97947275	ACRKWKGQLPVWIA-AFDUHFSSSA-N	540.711	4.316	10	40	KICB	
CCCCN1C(=O)C(=C/C=C\C=C2\Oc3ccccc3N2CCCS(=O)(=O)O)C(=O)N(CCCC)C1=S	98207874	SKDUSRXOWAXOCO-VGWMMCCYSA-N	547.699	4.043	10	40	KICB	in-vitro
COc1ccc(N2CCN(C(=O)CN(Cc3c(F)cccc3Cl)S(=O)(=O)c3ccc(C)cc3)CC2)cc1	100274601	VOWYFOQYIKDKSU-UHFFFAOYSA-N	546.064	4.336	10	40	KICB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1ccc(N2CCOCC2)cc1	260919741	NGOHGVRDTGWHLB-RYRVMRHHSA-N	517.699	4.477	10	40	KICB	
O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc(Br)cc1Cl	408684045	JHOQESDTEOYKQT-UEXGIBASSA-N	545.817	4.147	10	40	KICB	
CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O	409057574	QAALXPPXCAGIEF-VGOFMYFVSA-N	539.136	4.185	10	40	KICB	
COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4OC)C3=O)c2C)c(C)c1	409165908	AOXUWNUKIJPIBK-XSFVSMFZSA-N	503.580	4.029	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409224591	LGTPIAAUZVOPKN-RGVLZGJSSA-N	580.391	4.156	10	40	KICB	
COc1ccc(N2CCN(C(=O)CCc3ccc(S(=O)(=O)N[C@H](C)c4ccccc4)cc3)CC2)cc1	409252202	RFUKPDKILNSGJC-JOCHJYFZSA-N	507.656	4.016	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4cccc(C)c4C)c(OC)c3)C2=O)cc1	409252921	ACELVUMJRDDIAR-HZHRSRAPSA-N	543.576	4.395	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409374346	NCSTUDCDXMZCCC-RGVLZGJSSA-N	537.956	4.320	10	40	KICB	
COc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1	409377097	GFUONNFZKAHKPL-HYARGMPZSA-N	535.940	4.041	10	40	KICB	
COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)cc1	223186403	NJWHQJHFLQLBES-SVBPBHIXSA-N	505.688	4.193	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	408533245	JQZIICAIIDRLQQ-GLHYCOPVSA-N	545.548	4.263	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OC(=O)c1ccc2c(c1)OCO2	408536169	QCTUXIZANWOMDW-XDHOZWIPSA-N	514.490	4.008	10	40	KICB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(OC)cc4)C3=O)c2C)c1	408967244	PLQPYZDRYCBNLK-HZHRSRAPSA-N	503.580	4.111	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1	409222217	CAVKSSICBWRCAD-FYJGNVAPSA-N	568.369	4.464	10	40	KICB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4OC)cc3)C2=O)cc1OC	409370253	NPNKCESADLTYTL-JWGURIENSA-N	559.575	4.177	10	40	KICB	
CN1CCN(C(=O)c2ccccc2OCCN2CCCC2)CCOc2ccc(N3CCOCC3)cc2Cc2cccc(c2)C1=O	643568123	KMSHLSYPFASCKL-UHFFFAOYSA-N	612.771	4.195	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1	8440637	UDAQUGISLYDNFS-OCEWKHMESA-N	515.610	4.345	10	40	KICB	
O=C1/C(=C\c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1	100860241	VZBYCDZEWSBFOO-CJLVFECKSA-N	547.637	4.155	10	40	KICB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OCc1ccc(Cl)cc1	101394271	IGXIWZNBVHFXQJ-DUIHUKNUSA-N	539.422	4.202	10	40	KICB	
N=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12	103596515	DHAPEUXEVGGHMY-FEUAQRDNSA-N	518.382	4.121	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@H]1c1ccc(C)cc1	408834324	VVBBGKHXRSDRDM-QPJBPQEWSA-N	555.656	4.212	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409038322	VHNHSZDXVFOZOT-PEPUGYCWSA-N	643.762	4.465	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccccc1	409075998	WEIQFXSBMWYYLC-CPNJWEJPSA-N	526.954	4.173	10	40	KICB	
CCOc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc(I)c1OCC(=O)OC	409204695	IKGTULCLGWPFDW-LICLKQGHSA-N	572.446	4.197	10	40	KICB	
COc1ccccc1NC(=O)COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1	409379888	AZVPDGIPEPIHLR-XSFVSMFZSA-N	550.365	4.142	10	40	KICB	
COc1ccc(N2CCN(C(=S)NC(=O)c3ccc(-c4cccc(Cl)c4)o3)CC2)c([N+](=O)[O-])c1	14273729	XYYAEPCCWONFCQ-UHFFFAOYSA-N	500.964	4.354	10	40	KICB	
CN(C)S(=O)(=O)c1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCCCC3)=NC2=O)cc1	26532483	NQNKMJZGVRKNJJ-QJOMJCCJSA-N	521.668	4.246	10	40	KICB	
CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1I	103849566	GABSVUNLDUKEKF-NTUHNPAUSA-N	559.129	4.258	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	408779845	MBWPEGYQVRXXKB-LPYMAVHISA-N	501.495	4.466	10	40	KICB	
O=C(COc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1F	409375443	KUSUHLYYPFUVFR-PDGQHHTCSA-N	583.326	4.180	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4OC)c(Cl)c3)C2=O)cc1	409382947	YTWSUVWXCHSARR-CPNJWEJPSA-N	535.940	4.041	10	40	KICB	
O=C(CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O	8870186	SEKCAEXIUJWOIW-PDGBHBLJSA-N	505.621	4.128	10	40	KICB	
COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1	32193823	IUQTWMFYLHQJMX-HYARGMPZSA-N	512.971	4.289	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	59247799	IAQIPPWXSJGIRO-ZGOFBEGVSA-N	588.642	4.041	10	40	KICB	
COc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOc1ccc(NC(C)=O)cc1	97964311	HMAGAMRBRWILJE-JZBIWTJYSA-N	547.515	4.293	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1cccc(OC)c1	100305794	GFESCZJKJDBUQQ-QPJBPQEWSA-N	545.636	4.354	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409022012	BYPYCHAKWPDLNE-KAEGSSFASA-N	629.735	4.318	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)c([N+](=O)[O-])c4)c3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409037126	SMOHTRYTDDCNBZ-GAPLDZIPSA-N	688.759	4.373	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N(CCCOC)C2=O)ccc1OCC(=O)Nc1cccc(OC)c1	409257271	RVXXUFMOGHNKSA-HMAPJEAMSA-N	516.641	4.349	10	40	KICB	
O=C(NN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S)c1cccnc1	1242698	ASPVOXNFJWREFL-VXPUYCOJSA-N	506.996	4.198	10	40	KICB	
CN1C(=O)C(=Cc2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N(C)C1=S	103856184	HEHRDMOYAWZEHB-UHFFFAOYSA-N	569.231	4.298	10	40	KICB	
CC1=NN(c2ccc(I)cc2)C(=O)/C1=C\Nc1cc2[nH]c(O)nc2cc1Br	408533858	PIYOGNMFZLLPRA-WQLSENKSSA-N	538.143	4.354	10	40	KICB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccccc4)c(Cl)c3)C2=O)cc1C	409066077	JXKDDJCFQYOQLE-DEDYPNTBSA-N	510.955	4.391	10	40	KICB	
O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Cl)c1	409070983	MTDYSYSBZPZNKA-YBFXNURJSA-N	521.869	4.192	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(I)c1OCC(=O)Nc1ccccc1C	409230365	YNPBZUJCMINHDL-YVLHZVERSA-N	554.431	4.457	10	40	KICB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccccc1	9246812	GRIIHXCIHDNGAX-DWAVHZDUSA-N	509.631	4.002	10	40	KICB	
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CCN3C(=O)/C(=C/c4ccccc4)SC3=S)cc2)n1	100504389	IXTMVKZKJWMMSC-QNGOZBTKSA-N	553.691	4.124	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	408695359	SFTVWRKNDQQRGH-YBFXNURJSA-N	556.413	4.188	10	40	KICB	
CCCOc1c(Br)cc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O	409048579	SGAYKMQIJHSTHG-OQLLNIDSSA-N	524.165	4.372	10	40	KICB	
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(N5CCCC5)cc4C)c(=O)n32)cc1	409062442	UZTBZGXZXKTLMQ-CSJROMOCSA-N	531.678	4.104	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCC(=O)Nc1ccccc1F	409379533	XLMGBCKIZNJOKL-ATVHPVEESA-N	537.931	4.480	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)(C)C)cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	59418530	FXWACXPCWUBIRG-IVNHJSRESA-N	503.668	4.162	10	40	KICB	
Cc1cc(C)cc(OCCOc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2Cl)c1	101394817	RMJLXRGUYRYDQT-MPZQNCSBSA-N	533.031	4.036	10	40	KICB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1ccc(OC)cc1	103863234	NRVUSCUSXMLANP-ZHGFHMGHSA-N	583.710	4.496	10	40	KICB	
COc1ccc(OC)c(COc2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4)C3=O)cc2OC)c1	408989415	KRAINIRDCCVGHA-LPYMAVHISA-N	518.591	4.431	10	40	KICB	
COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(N5CCCC5)cc4)c(=O)n32)c(OC)c1	409065211	FBWSKBVXLFXJLG-XGLKJEJJSA-N	580.710	4.491	10	40	KICB	
COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)c2C)c([N+](=O)[O-])c1	409143287	LMKWLGVFLBHSPN-UDWIEESQSA-N	504.568	4.459	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C	409268908	ZLTRSWBLIJOGRZ-HMAPJEAMSA-N	558.547	4.294	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccc(C(=O)O)o1	409386386	SWDVCAYJKCOXCL-LICLKQGHSA-N	555.337	4.303	10	40	KICB	
Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4I)C(=O)[C@H]23)cc1	8398077	PGYGLHBMMKFPSD-FDFHNCONSA-N	563.347	4.295	10	40	KICB	
CCN(CC)c1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(Cc2cccs2)C(=O)Cn2nnc3ccccc32)cc1	100336548	SABBRXZRAHQZII-PWUYWRBVSA-N	560.724	4.404	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	100533476	XDONUGPBVIBCDZ-LAUBZIAYSA-N	598.681	4.352	10	40	KICB	
COc1cccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]23)c1	100542060	DXGIDUPULYCHNC-FSSWDIPSSA-N	532.346	4.153	10	40	KICB	
Cc1ccc(/C=C2/SC(=S)N(CCC(=O)NCCNC(=O)CCN3C(=O)/C(=C\c4ccc(C)cc4)SC3=S)C2=O)cc1	150597621	VQAHMFOOZUSGHB-GJHDBBOXSA-N	638.862	4.419	10	40	KICB	
Cc1c(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)ccc(Br)c1Cl	408691351	ZLMMQIWJJMVWHT-WFXMLNOXSA-N	559.844	4.455	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCc1cccc(C(=O)O)c1	408948841	HCKGRCQRIPUGDY-DJKKODMXSA-N	656.385	4.362	10	40	KICB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nnnn4-c4ccccc4)c([N+](=O)[O-])c3)C(=O)NC2=S)c(C)c1	408987938	CBYQWGRJKWFCLE-CPNJWEJPSA-N	557.617	4.170	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@H]1c1ccc(C)o1	408990915	XAOHKTNLRPDNHV-GVMLUORFSA-N	515.635	4.416	10	40	KICB	
COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1	409003921	MHLGZZMVFWWNGQ-OEAKJJBVSA-N	578.419	4.483	10	40	KICB	
O=C1NC(=S)NC(=O)C1=Cc1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1	409047191	NPNIKOCSUXNYND-UHFFFAOYSA-N	575.076	4.467	10	40	KICB	
O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccccc1	409070807	OYMPZZZGEHNAOL-WOJGMQOQSA-N	622.247	4.351	10	40	KICB	
Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c1	409269184	GRWVTOQRYCQFHO-STZFKDTASA-N	505.983	4.497	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1	409373349	HNHSAIBHSMJTGK-VXLYETTFSA-N	524.913	4.271	10	40	KICB	
Cn1c(=O)c2c(-c3ccc(Cl)cc3Cl)n3c(c2n(C)c1=O)[C@@H](c1cccc(O)c1O)OCC3(C)C	9048981	ZQRVEGCRJAZNDC-JOCHJYFZSA-N	516.381	4.278	10	40	KICB	
COc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)ccc1OCc1cccc(C)c1	9457450	MHKFCXFRLVNZSS-CCDSKFFISA-N	517.611	4.214	10	40	KICB	
O=C1[C@H]2[C@@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1	96298820	LKDDVTHACFNPGB-QHAWAJNXSA-N	502.320	4.144	10	40	KICB	
N=C1/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12	102469838	NQTHIQLPAXJMHV-ZAXJVRRPSA-N	547.040	4.211	10	40	KICB	
COc1cc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OC	408537676	WPTDCXADADRHOY-UNOMPAQXSA-N	536.924	4.251	10	40	KICB	
O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1	408813629	UUWCPWIJJLIOFX-VXLYETTFSA-N	522.857	4.402	10	40	KICB	
COC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1Br	408852998	KICBGPKGDQBRMJ-VIZOYTHASA-N	566.202	4.047	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1C	409238192	WCPFRDYHQNIDBD-WQRHYEAKSA-N	565.467	4.460	10	40	KICB	
Cc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Cl	409265278	RSRCFQWMXPMBTD-UYRXBGFRSA-N	505.983	4.497	10	40	KICB	
CCc1ccccc1N1C(=O)/C(=C/c2cn(Cc3ccc(C(=O)OC)o3)c3ccccc23)C(=O)NC1=S	409394054	UZJNGSUVNFBUDS-KGENOOAVSA-N	513.575	4.463	10	40	KICB	
O=C(Cn1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c2ccccc21)Nc1ccc(F)cc1	2298117	UKGDDVQIKJTJKF-MOSHPQCFSA-N	516.529	4.390	10	40	KICB	
O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	6456856	RNAYAIWOKPHXQW-ZDLGFXPLSA-N	525.340	4.376	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	100320783	BTTIWVYZDOWIIJ-XDHOZWIPSA-N	571.405	4.200	10	40	KICB	
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C1=O	101484052	AWHFENNDWCBMRU-BHDDXSALSA-N	516.893	4.252	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccccc1	409071568	KFQPNUQWAPPHGT-CPNJWEJPSA-N	571.405	4.282	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	409374454	PXLRHJKXNNDNDQ-VXLYETTFSA-N	586.370	4.259	10	40	KICB	
Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)OCC(=O)c1cc(C)n(-c2ccccc2)c1C	3367304	HPHHZBZRTUAJNJ-XTXLJPNXSA-N	516.019	4.051	10	40	KICB	
COc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(Cl)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c(OC)c1	100415359	VLTDOEGPIAJZCF-XPWALMASSA-N	517.921	4.052	10	40	KICB	
COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1	408778028	OUSVJVZYPIFKOF-IMRQLAEWSA-N	526.589	4.310	10	40	KICB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c(OCc2ccc([N+](=O)[O-])cc2)c1	408803238	MUPJRIPWULMRKE-LPYMAVHISA-N	501.495	4.466	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C	408825186	JHHVYAGCFZYIRL-XXMKCSCWSA-N	584.536	4.414	10	40	KICB	
COC(=O)COc1c(I)cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1OC	409149311	BGNADUVMFHXKOV-UWVJOHFNSA-N	642.537	4.300	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4cc(C)ccc4C)cc3)C2=O)cc1	409257057	RHBRECREQHLKCW-LFVJCYFKSA-N	513.550	4.386	10	40	KICB	
O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)C1=O)Nc1ccc(F)c(F)c1F	409274894	RACMMNDNZYSJCX-CAOOACKPSA-N	546.435	4.435	10	40	KICB	
Cc1cccc(N2C(=O)N=C(O)/C(=C\c3cn(CC(=O)NC[C@H]4CCCO4)c4ccccc34)C2=O)c1C	27549098	AWCACUCUBZQGLB-CCULFSDZSA-N	500.555	4.060	10	40	KICB	
COc1ccc(N2CCN(C(=O)CC/C(C)=C/Cc3c(OC)c(C)c4c(c3OC)C(=O)OC4)CC2)cc1	62001694	AJFIQMOTCUBOCY-KPSZGOFPSA-N	508.615	4.309	10	40	KICB	biogenic
CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(COc4ccc(NC(C)=O)cc4)c3)C(=O)NC2=S)cc1	100241475	SCHXYAFIRWDUPT-XYGWBWBKSA-N	545.617	4.463	10	40	KICB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4)C3=O)cc2Cl)cc1	408893681	GRBWKKFTNBETTJ-DEDYPNTBSA-N	510.955	4.391	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	409022040	CWSMRQKVZMGOSI-KEPJHFNWSA-N	584.698	4.001	10	40	KICB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	409221975	AHUOGCODNWIGQJ-YDZHTSKRSA-N	524.493	4.251	10	40	KICB	
CC(C)c1ccc(N2C(=O)N=C(O)/C(=C\c3[nH]c4ccccc4c3CCNC(=O)CCC(=O)O)C2=O)cc1	1868994	MXFAQXCELRDYLB-RCCKNPSSSA-N	516.554	4.322	10	40	KICB	
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)CN3C(=O)c4ccccc4C3=O)c3c(C)cccc32)S1	8456459	MLFTWCYECCVMDR-UHFFFAOYSA-N	608.719	4.493	10	40	KICB	
CCc1nnc(NS(=O)(=O)c2ccc(N/C=C3/C(=O)N(c4ccc(OC)c(Cl)c4)N=C3C)cc2)s1	101128390	VWHDODKSXKUAMK-SFQUDFHCSA-N	533.035	4.282	10	40	KICB	
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCOc4ccccc4Cl)c(Cl)c3)C(=N)N21	101394723	DQXDBHDWZVDNOS-JALZURGUSA-N	539.422	4.072	10	40	KICB	
CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/N2N=C(c3ccc4c(c3)CCCC4)C[C@@H]2C(=O)O)SC1=S	256055424	GRLOAGFSCSIPFH-FWTILGNYSA-N	563.701	4.305	10	40	KICB	
CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1cc2c(cc1N1CCN(c3ccccc3)CC1)n(C)c(=O)n2C	408526921	CRLKUTXEIQXSAJ-CLCOLTQESA-N	539.615	4.061	10	40	KICB	
O=C1NC(=O)N(c2ccc(I)cc2)C(=O)/C1=C\c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408536944	UCFWSOJXNFQKJJ-UYRXBGFRSA-N	583.294	4.085	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c3)C2=O)cc1	408554093	ZBAKERSDPUKTKL-NDENLUEZSA-N	568.369	4.464	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	408917078	MDVVQXDKCSFCPW-NDENLUEZSA-N	507.499	4.153	10	40	KICB	
CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CCN(c4ccc(OC)cc4)CC3)cc2c1	6135258	KDISVCTULXELBG-LJAQVGFWSA-N	535.652	4.046	10	40	KICB	
O=C(COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)Nc1cccc2c1C(=O)c1ccccc1C2=O	103101542	UPNBVEOQTOSTOZ-UHFFFAOYSA-N	580.618	4.005	10	40	KICB	
O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1	408773437	QNMAFFMVEMRWLU-XDHOZWIPSA-N	584.391	4.400	10	40	KICB	
Cc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)c(O)c2)cc1	902610	OAMCIRXIUWXSQU-MUUNZHRXSA-N	513.598	4.374	10	40	KICB	
COc1cc(/C=C2/C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)ccc1OCc1ccccc1Cl	3856107	YMCBMNDYUSEEAW-FYJGNVAPSA-N	511.987	4.381	10	40	KICB	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3Br)CC2)cc1	32971800	ZRZKAIXXHLAKFJ-UHFFFAOYSA-N	502.434	4.003	10	40	KICB	
COc1ccc(N2CCN([C@@H](c3cc4ccc(C)c(C)c4[nH]c3=O)c3nnnn3CCc3ccccc3)CC2)cc1	100342296	BYDAPSUFXQLENS-PMERELPUSA-N	549.679	4.294	10	40	KICB	
Cc1ccc2nc(N3CCN(c4ccc(F)cc4)CC3)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1	100860334	ZVIQOBRUFPBIEV-HZHRSRAPSA-N	561.664	4.463	10	40	KICB	
Cc1ccc(CN2C(=O)[C@H]3[C@@H](C2=O)[C@H](c2ccc(Br)cc2)OC32C(=O)c3ccccc3C2=O)cc1	195751204	BLAATVRAIPYQGN-ZLNRFVROSA-N	530.374	4.448	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)C2=O)cc1	408808136	FEFYSAZEJPRUOW-HZHRSRAPSA-N	515.478	4.017	10	40	KICB	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3ccccc3OCC(=O)Nc3ccc(C)cc3)C2=O)c1	408844162	CJXOZADMZSMOEV-XQNSMLJCSA-N	543.576	4.476	10	40	KICB	
Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1	408884577	ZTOFUTQOTKEDBF-DEDYPNTBSA-N	510.955	4.391	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4Cl)cc3)C2=O)cc1	409261996	GSKFXAHKAXMQFV-RCCKNPSSSA-N	519.941	4.423	10	40	KICB	
O=C(NC1CCCCC1)[C@H](c1ccc(N2CCOCC2)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)Cn1nnc2ccccc21	6475475	SCIVYCZMAWXXJV-XIFFEERXSA-N	610.715	4.216	10	40	KICB	
COc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1CN1C(=O)c2ccccc2C1=O	100291831	SZXBEEKUKKUKNR-MTJSOVHGSA-N	549.461	4.177	10	40	KICB	
COc1ccc(N2CCN(c3nc4c(C)cccn4c(=O)c3/C=C3\SC(=S)N(CC(C)C)C3=O)CC2)cc1	100762411	DRHVLLZPVBXMBA-KQWNVCNZSA-N	549.722	4.195	10	40	KICB	
Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c(Br)c1	103114039	WCUBQSBVAIYJLV-UHFFFAOYSA-N	523.295	4.237	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408942897	RCWNNJFBKNEISR-VXLYETTFSA-N	551.895	4.200	10	40	KICB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)c(C)n1-c1ccc(C(=O)O)cc1	409274748	XHXZESFITSPJDZ-FSJBWODESA-N	533.562	4.239	10	40	KICB	
COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3nnc(CC(C)C)s3)C2=O)cc1OC	8819487	BJHNCBRBHVPKLB-ATVHPVEESA-N	506.675	4.374	10	40	KICB	
CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/N2N=C(c3ccc4c(c3)CCCC4)C[C@@H]2C(=O)O)SC1=S	256055425	GRLOAGFSCSIPFH-HIVSQVQKSA-N	563.701	4.305	10	40	KICB	
O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(I)c(O)c(I)c1	408723655	ZACJKUQSPHCSOV-VZUCSPMQSA-N	610.598	4.086	10	40	KICB	
Cc1cc(N2C(=O)NC(=O)/C(=C\c3cc(I)cc(I)c3O)C2=O)ccc1Br	408756243	YHZUSSSYDGNHSW-WUXMJOGZSA-N	653.008	4.339	10	40	KICB	
CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(O)c(OCC)c3)C2=O)cc1	408901161	WMFXYQOGPGVCHE-BOPFTXTBSA-N	503.349	4.399	10	40	KICB	
COCCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(C(=O)OC)c3C)c2C)C(=O)N(c2ccccc2)C1=O	409010096	DHJJFUGZWXSABC-ULJHMMPZSA-N	515.566	4.214	10	40	KICB	
CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(N(C)C)cc3)c2=O)=N1	409035432	PPQMREUGZGEFJY-XSZPGNIMSA-N	584.536	4.416	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	409075202	PNTOPBZQGMRQCQ-YBFXNURJSA-N	544.944	4.230	10	40	KICB	
CCc1ccccc1N1C(=O)/C(=C/c2cccc(OC)c2OCc2ccc(C(=O)O)cc2)C(=O)NC1=S	409187179	NCFHVYMZEPKLNU-RCCKNPSSSA-N	516.575	4.366	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(C)cc4)c(Br)c3)C2=O)cc1	409225381	PSNHMPMXHHLLPM-FYJGNVAPSA-N	564.392	4.450	10	40	KICB	
CCOC(=O)N1CCN(C(=O)CCCCCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)CC1	11990762	DAKWPWKZMCNSOD-FTTJZNGKSA-N	501.674	4.305	10	40	KICB	
O=C1C(=Cc2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1	59488076	XNPDNFPBBZOTBC-UHFFFAOYSA-N	514.563	4.180	10	40	KICB	
COc1ccc(Cl)cc1-c1nnc(S/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)O)o1	408634457	UVWLOWOEOQHJPN-YBFXNURJSA-N	518.935	4.361	10	40	KICB	
COC(=O)COc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OC	408846313	IKLJWUATKHHDRP-IZZDOVSWSA-N	574.236	4.148	10	40	KICB	
COC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC	408949009	RVGOIIIOMNTPDK-NFYDWNOTSA-N	592.073	4.176	10	40	KICB	
O=C(NN1C(=O)c2cc(I)ccc2N[C@@H]1c1c(O)ccc2ccccc12)c1ccncc1	2747267	XKPNUPLGUBPPMI-QFIPXVFZSA-N	536.329	4.457	10	40	KICB	
O=C(NC1CCCCC1)[C@H](c1ccc(N2CCOCC2)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCO2	6475490	XOAUZCIIPDRPFL-YTTGMZPUSA-N	596.688	4.220	10	40	KICB	
COc1cc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)c(Br)c(Br)c1O	8430542	ZASWKMWLDHZEPV-NTUHNPAUSA-N	510.138	4.430	10	40	KICB	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C(=O)O)cc4)cc3)C2=O)c1	103846561	AWOSFRXEBIAQHZ-HZHRSRAPSA-N	530.533	4.428	10	40	KICB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1F	208659123	IXOGMVUZGMJSBM-WQRHYEAKSA-N	544.320	4.479	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408881989	PITVQZISPPSHHS-UNOMPAQXSA-N	543.022	4.256	10	40	KICB	
Cc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2N2CCOCC2)C1=O	409193207	FHTVQFYXUQWWSI-JJIBRWJFSA-N	506.628	4.107	10	40	KICB	
COc1ccccc1NC(=O)COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1OC	409369721	FHEOOLQQKZEHCE-PDGQHHTCSA-N	535.940	4.041	10	40	KICB	
O=C(COc1ccc(Br)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O)Nc1cccc(F)c1	409399248	GXERUGTWKQMLEY-NDENLUEZSA-N	510.319	4.067	10	40	KICB	
O=C1/C(=C/c2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC(=S)N1C1CCCCC1	2438799	JXYRERDXHLJMHX-YLCCHKQJSA-N	506.653	4.374	10	40	KICB	
COC(=O)[C@H]1[C@H](c2cc(OC)c(OC)c(OC)c2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21	15953489	WNRPPOKGKWYFDD-KKUQBAQOSA-N	525.557	4.319	10	40	KICB	biogenic
CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCN(c2ccc(OC)cc2)CC1	19941682	PQINHBIAIOLOCR-SANMLTNESA-N	515.662	4.197	10	40	KICB	
CCOC(=O)Cn1cc(/C=C2/C(=O)N(Cc3ccccc3)C(=O)N=C2O)c2cc(Br)ccc21	59087168	XKCDTPFJIKNCRI-VXLYETTFSA-N	510.344	4.469	10	40	KICB	
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C1=O)C1(O[C@H]2c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O	101484050	AWHFENNDWCBMRU-BDTNDASRSA-N	516.893	4.252	10	40	KICB	
CN(C)c1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCN([C@H](c3ccc(N(C)C)cc3)c3nnnn3Cc3ccccc3)CC2)cc1	150386012	PUWZWDFXZBNEFC-LQFQNGICSA-N	668.854	4.385	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OCC)c(OC)cc3Br)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	409002421	UNSUDBHOVXKXSK-AQIZGWBQSA-N	600.535	4.034	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@H]1c1cccc(OC)c1	409019145	YSOGYDDPEXIXQG-HRIDGTDGSA-N	599.709	4.309	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	409149840	SDNDBGDLVXLWMY-DIXABZHVSA-N	575.716	4.015	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccccc1F	409375845	PWXSCVVFIYPLQL-MOSHPQCFSA-N	517.513	4.135	10	40	KICB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)cc([N+](=O)[O-])c1OCc1cccc(C(=O)O)c1	409398532	BVUXDODAGFZLQC-ODLFYWEKSA-N	538.310	4.096	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	408725377	HSMXWDASWHMQOZ-RGFRMHDHSA-N	585.686	4.180	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C2=O)cc1	408896057	MQHJFLKJTFCVNO-FYJGNVAPSA-N	599.017	4.268	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1	408913935	WCSGXVWBYAEBEX-KEBDBYFISA-N	629.382	4.431	10	40	KICB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5cccc(C(C)=O)c5)c4C)c(=O)n32)cc1OCC	408939727	UCLYOOKRGZKRMM-SWFNHZAASA-N	599.709	4.426	10	40	KICB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCOCC4)cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1	409058260	KAPOGTCIOSEHPL-ZMVORIFESA-N	586.113	4.426	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)cc(Cl)c3OS(=O)(=O)c3ccccc3)C2=O)cc1	409066738	PKGLUPRYFXWSIU-XDHOZWIPSA-N	575.382	4.214	10	40	KICB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)N1CCOCC1	409197163	XKDMVQCWKIDENE-KGENOOAVSA-N	519.044	4.382	10	40	KICB	
COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)SC2=S)cc1	409344786	HEAYVQSQHCZGME-UDWIEESQSA-N	511.537	4.418	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	409372473	LGCAXBSDTYHAEO-GIJQJNRQSA-N	556.325	4.200	10	40	KICB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3cn(CC(=O)N4CCC(C)CC4)c4ccccc34)C(=O)NC2=S)c1	2174776	AXOCZHSFXYHHPJ-BUVRLJJBSA-N	514.651	4.348	10	40	KICB	
CC[C@@H](C)N1C(=O)/C(=C/c2c(N3CCN(Cc4ccccc4)CC3)nc3c(C)cccn3c2=O)SC1=S	100763492	MHGNPHYTXKDBQN-AKWGVZKHSA-N	533.723	4.325	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1cccc(C(=O)O)c1	103794288	YZZWEZTYNDGKDA-UDWIEESQSA-N	522.966	4.457	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccccc1	103842262	GOPQIQGQLWVWBY-GIJQJNRQSA-N	551.349	4.432	10	40	KICB	
CCc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\NC(=S)Nc2ccc(C)c(C)c2)C1=O	408534783	RDYHWINENWHYFN-GZTJUZNOSA-N	501.406	4.082	10	40	KICB	
O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1	408940010	NIGFJQVNFGDTLO-YBFXNURJSA-N	522.857	4.402	10	40	KICB	
COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1	409012581	QQRLEFJUEHGJTO-MFKUBSTISA-N	527.577	4.337	10	40	KICB	
CCOc1c(I)cc(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1OC	409134117	NECRCXNMSRQLSJ-DHDCSXOGSA-N	536.391	4.147	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C	409259895	HGTBWVVIFPUTJA-HMAPJEAMSA-N	558.547	4.294	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCOc1ccc(Cl)c(C)c1	2210634	KBALPLIRWLOKDC-MOSHPQCFSA-N	510.930	4.370	10	40	KICB	
CCOC(=O)[C@H]1CCCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(C3CCCCC3)C2=O)C1	97947276	ACRKWKGQLPVWIA-IGCAKMCNSA-N	540.711	4.316	10	40	KICB	
O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c1cc(=O)c(O)c2c(O)c(O)cc([C@H]3Oc4cc(O)cc(O)c4C[C@H]3OC(=O)c3cc(O)c(O)c(O)c3)c2c1)c1cc(O)c(O)c(O)c1	195838435	ZEASWHWETFMWCV-OXSAIQKVSA-N	868.709	4.176	10	40	KICB	biogenic,in-vitro
COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(=O)OC)c2)c1C	223742929	CKMQRGINRBBHLF-LOSJGSFVSA-N	506.628	4.201	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409002827	WPNVLMZPFUJNAC-KEPJHFNWSA-N	615.708	4.010	10	40	KICB	
N=C1/C(=C/c2ccc(OC(=O)c3ccco3)c(Br)c2)C(=O)N=C2SC(c3cccnc3)=NN12	2235022	TVLRBUGBPCNPAX-FZMXLXIHSA-N	522.340	4.324	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OC(=O)c1ccc(OC)cc1	408536877	SXWNMNLOODLRKK-RCCKNPSSSA-N	500.507	4.288	10	40	KICB	
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)c(O)c(I)c1	408740419	KHJLIZLVOXWWOB-VZUCSPMQSA-N	591.981	4.188	10	40	KICB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C2=O)cc1	408896890	UOLQRCMRRHJVEE-PXLXIMEGSA-N	520.563	4.000	10	40	KICB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)c(OC)c(OCC)c3)C2=O)cc1	408901619	ZEHLUTCIBPHGSQ-BOPFTXTBSA-N	550.349	4.154	10	40	KICB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)cc(Br)c1O	409049175	VIDUMKJDYZJGBD-LFYBBSHMSA-N	500.530	4.237	10	40	KICB	
O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1	409071489	RPRFGITZRWSFDQ-WOJGMQOQSA-N	533.345	4.133	10	40	KICB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1	409075491	WHFOYLBPMMVAIR-DEDYPNTBSA-N	559.369	4.331	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OC	409230675	FGTLGYRSTASLLD-AWNIVKPZSA-N	542.782	4.102	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4cc(C)ccc4C)c(Cl)c3)C2=O)cc1	409258450	VAZFQQDFIQWSPS-BKUYFWCQSA-N	561.978	4.427	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(OC)cc1	409369915	HNAGCUQDJDNPLG-XKZIYDEJSA-N	608.003	4.218	10	40	KICB	
CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)C(=O)NC2=S)cc1	409377640	JOMZQNYGDJKYJY-HZHRSRAPSA-N	529.618	4.415	10	40	KICB	
CN(C)c1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)cc1	6074552	VYHSFBICFDTNKM-AREMUKBSSA-N	502.594	4.326	10	40	KICB	
COc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)c2C)c1	9161421	WZXQIGRRYISNAI-STVRALQESA-N	504.616	4.125	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCC(=O)O)C3=O)c(N3CCC(Cc4ccccc4)CC3)nc12	100762114	RNTRZOCDTPMLCY-XLNRJJMWSA-N	548.690	4.138	10	40	KICB	
N=C1/C(=C/c2cn(Cc3ccc4c(c3)OCO4)c3ccccc23)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12	102479557	LYQIJMYGJQYGFZ-XGKXJSPNSA-N	540.605	4.050	10	40	KICB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br	409006016	GYYWDCVENRHJPW-UHFFFAOYSA-N	611.312	4.159	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1	409225508	PAHSXYCTHVKDEW-CIAFOILYSA-N	564.938	4.331	10	40	KICB	
Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2)cc1Cl	409258070	SYOSREYMNXMABK-NHDPSOOVSA-N	534.912	4.241	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(OCC(=O)Nc4cc(C)ccc4C)c(OC)c3)C2=O)cc1	409258502	XFXPFHWJELKOBV-MTJSOVHGSA-N	592.004	4.436	10	40	KICB	
COc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)cc2Cl)cc1	409369735	FQBXXGGVZUDLRG-UDWIEESQSA-N	523.904	4.172	10	40	KICB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCc1ccc(Br)cc1	409401703	YZXCUGGQGAUAHI-ODLFYWEKSA-N	524.327	4.406	10	40	KICB	
COc1cc2c3c(c1)/C(=C1/SC(=S)NC1=O)C(=O)N3C(C)(C)C=C2CSc1nnc(C)s1	1554503144	JAJFAZLNCOFIKK-PEZBUJJGSA-N	502.668	4.029	10	40	KICB	
Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)c1C	6442823	PTZLKAFQRAASFL-RUZDIDTESA-N	548.713	4.344	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408692982	ZZZAOASTUSLHQY-VCHYOVAHSA-N	544.358	4.349	10	40	KICB	
O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1Br)Nc1ccc(F)cc1	408914284	PCBYXUNNWYDOEK-VXLYETTFSA-N	556.319	4.411	10	40	KICB	
O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1cccn1-c1ccc(I)cc1	409023026	BDRNZRGRRZRWGH-LDADJPATSA-N	517.323	4.052	10	40	KICB	
O=C1[C@H]2[C@H](c3ccc(I)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1C1CCCCC1	8434797	KJYCISBNTAQCMW-HKBOAZHASA-N	555.368	4.114	10	40	KICB	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OC(=O)c1ccc(C(C)C)cc1	101394632	CXPHPKAFMQHBHG-JZSRTLTASA-N	540.623	4.049	10	40	KICB	
CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC	408776159	MSSSAPAUWUSGKU-CXUHLZMHSA-N	507.326	4.000	10	40	KICB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5cccc([N+](=O)[O-])c5)c4C)c(=O)n32)cc1OCC	408943842	ZDXLMRXTNDLCAZ-QICARQTCSA-N	602.669	4.131	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OS(=O)(=O)c1ccc(Cl)cc1	409070322	FIEVYSCIZNCZPQ-DEDYPNTBSA-N	571.951	4.081	10	40	KICB	
Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c(C)n1-c1ccc(I)cc1	409191266	FRYDECMUKXSQOK-NDENLUEZSA-N	571.396	4.228	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C	409267890	PQJZVHCLIRIYCL-XKZIYDEJSA-N	558.547	4.294	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409374148	KGAFUNZJXRXMRX-VXLYETTFSA-N	541.919	4.150	10	40	KICB	
Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCC(C)C)c2ccc(N(C)C)cc2)cc1C	6280342	GSJWNFMIXRTRQB-XMMPIXPASA-N	536.702	4.057	10	40	KICB	
CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	100414999	PBDLFARXVVBXFR-VABKMULXSA-N	559.372	4.103	10	40	KICB	
O=C1/C(=C/c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC(=S)N1C1CCCC1	100871297	DCXMORDPPKZCCI-XLNRJJMWSA-N	535.670	4.304	10	40	KICB	
COc1ccc(CN2C(=O)/C(=C/c3c(N4C[C@@H](C)O[C@H](C)C4)nc4c(C)cccn4c3=O)SC2=S)cc1	100893284	HYCJNHNIBLDQHY-QPLUVRSASA-N	536.679	4.027	10	40	KICB	
Cc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c(C)n1-c1ccc2ccccc2c1	103596334	DSGOZPWEPUALAY-ODUHAEHHSA-N	526.622	4.115	10	40	KICB	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])o3)C2=O)c1	103846360	OGZZEZBYWJIWNK-LDADJPATSA-N	536.453	4.227	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409085530	SIRMYZIQVGPLES-WOJGMQOQSA-N	563.435	4.269	10	40	KICB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(C(=O)O)cc3)C2=O)cc1OC	409126007	ANVVWXMGFKIZNN-XQNSMLJCSA-N	544.560	4.423	10	40	KICB	
CCOC(=O)[C@@H](C)Oc1c(OCC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c1Br	409399682	LSCKEXHJSZJFIQ-YYTPVVGHSA-N	582.245	4.402	10	40	KICB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	8437850	HCVARBMPIHITMG-ZUCAMLDZSA-N	632.536	4.493	10	40	KICB	
N=C1/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12	102474226	KRLBVSXFIDGMHH-UAJGQANVSA-N	526.622	4.352	10	40	KICB	
Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4O)N[C@@](Cc4c[nH]c5ccccc45)(C(=O)O)[C@H]3C2=O)cc1C	102778982	MTYRNJBYRTZUPC-JPPUBGEISA-N	509.562	4.007	10	40	KICB	
COc1cccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OC(=O)c3ccc(Br)cc3)C2=O)c1	408528577	BNVCKRXFSHHBMM-MOSHPQCFSA-N	521.323	4.343	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	408533246	JQZIICAIIDRLQQ-ZZCMHUJJSA-N	545.548	4.263	10	40	KICB	
COc1ccc(N2CCN(C(=O)CN(c3ccc(Cl)cc3)S(=O)(=O)c3cc(C)ccc3OC)CC2)cc1	408553707	AXKJRYJVCZBFQH-UHFFFAOYSA-N	544.073	4.210	10	40	KICB	
CCOc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc1OC	408723583	XEMAOVLRSRJGHN-VGOFMYFVSA-N	542.782	4.183	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCC(=O)O	408761161	BWZQGCMPUKYITH-VGOFMYFVSA-N	582.201	4.049	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCC(=O)Nc4ccccc4)c(OC)c3)C2=O)cc1	409058645	SJJFAJJAIBBUIP-FYJGNVAPSA-N	641.418	4.382	10	40	KICB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1	409072768	DHSOSJCUGWMKRB-UDWIEESQSA-N	517.346	4.428	10	40	KICB	
CCOc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)N1CCOCC1	409192833	CFMVCAMGDRTXJI-FYJGNVAPSA-N	519.044	4.382	10	40	KICB	
COc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O	409379243	WCIAUSHWXSHVLA-UNOMPAQXSA-N	595.362	4.050	10	40	KICB	
COc1ccc(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1	409383444	VEXHPGFJUDTFHY-ZHZULCJRSA-N	519.941	4.341	10	40	KICB	
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)CN3C(=O)c4ccccc4C3=O)c3ccc(OC)cc32)S1	8395901	VCHRIAKDYJJSTP-UHFFFAOYSA-N	624.718	4.193	10	40	KICB	
COc1ccc(N2CCN(C(=O)CSc3nnc(Cc4csc(Nc5ccccc5)n4)o3)CC2)cc1	12636374	FETNAMJZTRXBRZ-UHFFFAOYSA-N	522.656	4.310	10	40	KICB	
COc1cc(/C=C2/SC(N(C(C)=O)c3ccc(C)cc3)=NC2=O)cc(I)c1O	13915404	FPHOPWDDRPWABN-LICLKQGHSA-N	508.337	4.337	10	40	KICB	
COC(=O)c1c(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)sc(C)c1C	18021065	RYPUVJTXNMPBRA-VJBWXMMDSA-N	505.596	4.269	10	40	KICB	
COC(=O)c1ccc(C(=O)OC)c(N/C(C)=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)c1	103921354	PMJMSCJUAKTIGV-KQWNVCNZSA-N	514.494	4.305	10	40	KICB	
CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(N(C)C)cc3)c2=O)=N1	409035435	PPQMREUGZGEFJY-XXMKCSCWSA-N	584.536	4.416	10	40	KICB	
COc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccc(C)cc4)c4ccccc34)C(=O)NC2=S)c(OC)c1	409101523	XYTSQONMWHFJGW-OEAKJJBVSA-N	554.628	4.437	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)N1CCOCC1	409206593	XPIDRLHZZMRNEK-STZFKDTASA-N	563.495	4.491	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl	409262025	BYFJDZUUSLIENK-UYRXBGFRSA-N	535.940	4.128	10	40	KICB	
COc1ccccc1NC(=O)COc1c(Br)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1OC	409384604	CZRRUZXPAUSIAX-PDGQHHTCSA-N	596.459	4.315	10	40	KICB	
Cc1cccc(OCCCn2cc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c3ccccc32)c1	20206036	KKPBSCWOKBFYOU-NKFJNAIASA-N	521.624	4.040	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(COc4ccc(F)cc4F)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	102442256	LZFSHYSXRYHPDY-FQKMCRJQSA-N	579.625	4.315	10	40	KICB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C	223191423	VHIWCJXVWSGNTJ-SVBPBHIXSA-N	550.685	4.101	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	408530269	DRDCSBNQHSJJFJ-DEDYPNTBSA-N	560.559	4.305	10	40	KICB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408538477	NMYQYSXKGOQPPN-UHFFFAOYSA-N	518.591	4.166	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C	409253631	XNZPXHOBDKLTEV-BKUYFWCQSA-N	514.625	4.396	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4F)c(OCC)c3)C2=O)cc1	409369869	GSGFLRQHQXZBPI-RCCKNPSSSA-N	547.539	4.307	10	40	KICB	
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)c3ccccc32)S1	6190989	WXADZJAHZGWVSX-HUUCEWRRSA-N	600.740	4.063	10	40	KICB	
O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	100999797	YWAXALCWOCNRPE-AQTBWJFISA-N	548.668	4.313	10	40	KICB	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OC(=O)c1cccc(C)c1	101396879	IWWYDSDMRCRORA-JZSRTLTASA-N	540.623	4.013	10	40	KICB	
CCOc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)c2C)cc1	102463834	LPDHBGMRNSZOIR-PAMLCIOASA-N	504.616	4.125	10	40	KICB	
Cc1cc(S(N)(=O)=O)ccc1N/C=C1\C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)C1=O	408535999	VDSNXDHXULJTQG-KGENOOAVSA-N	613.534	4.452	10	40	KICB	
COC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1Br	408752392	AHWHXPYMUHFZTN-AWNIVKPZSA-N	586.620	4.392	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4)c(Br)c3)C2=O)cc1	408807575	DECZJBLGVIDHPG-DEDYPNTBSA-N	535.350	4.481	10	40	KICB	
COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1OCc1c(C)ccc2ccccc12	408808941	GMWRSYKBFSFFPM-UHFFFAOYSA-N	542.329	4.090	10	40	KICB	
Cc1cccc(N2C(=O)/C(=C/c3ccc(SCC(=O)Nc4ccccc4)c([N+](=O)[O-])c3)C(=O)NC2=S)c1	408989219	HIGVDMLELCFUEI-DEDYPNTBSA-N	532.603	4.465	10	40	KICB	
COc1ccccc1CCCC(=O)N1CCOc2ccc(N3CCOCC3)cc2Cc2cccc(c2)C(=O)N(C)CC1	643588240	AXQJLZZDIBGGBM-UHFFFAOYSA-N	571.718	4.439	10	40	KICB	
CC[C@@H](C)N1C(=O)/C(=C/c2c(N3CCN(c4ccccc4F)CC3)nc3c(C)cccn3c2=O)SC1=S	2367954	CXBGFYPFOZDDLG-ZSYKKXJESA-N	537.686	4.468	10	40	KICB	
Cc1cc(C2=NN=C(Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)SC2)c(C)n1-c1ccccc1	12538952	TXAJGCQQYDTDSR-UHFFFAOYSA-N	509.657	4.034	10	40	KICB	
CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCS(=O)(=O)O)C2=O)c1	26841933	TYUBAKWMSRXSDY-XSFVSMFZSA-N	515.638	4.027	10	40	KICB	
COc1cc(OC)cc(N(C(=O)CSCC(=O)Nc2cc(C)on2)[C@H](C(=O)NC2CCCCC2)c2ccc(O)c(O)c2)c1	100286134	QJKOXJNUSJDSPV-LJAQVGFWSA-N	612.705	4.307	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCCCCC(=O)O)C3=O)c(N3CCN(c4ccc(F)cc4)CC3)nc12	100860296	VFAYVPLPQHMXJU-PTGBLXJZSA-N	595.722	4.315	10	40	KICB	
CN1C(=O)C(=Cc2ccc(OCc3ccc(I)cc3)c(Br)c2)C(=O)N(C)C1=S	103856092	APAFMYKBAXDUBG-UHFFFAOYSA-N	571.234	4.231	10	40	KICB	
COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1	408877295	UKDUFOXCKQOMFO-HYARGMPZSA-N	557.422	4.398	10	40	KICB	
O=C(Cn1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c2ccccc21)Nc1ccc(F)cc1	408912703	RQWNFXXSCSKTMP-WSDLNYQXSA-N	500.461	4.225	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc(I)c1OC(C)C	409195284	TUEVKWQXJLGDOD-CXUHLZMHSA-N	580.400	4.007	10	40	KICB	
Cc1cc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(Cc4ccco4)C3=O)c2C)ccc1I	409373061	QEGBYTNCHBYDRR-ODLFYWEKSA-N	529.334	4.262	10	40	KICB	
COc1cc(/C=C2\SC(=S)N([C@H]3CC(=O)N(CCCCCC(=O)O)C3=O)C2=O)ccc1OCc1ccc(F)cc1	100971778	PSLAJPCQFFWGFB-FVHJOOJJSA-N	586.663	4.387	10	40	KICB	
O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)N(CCCO)C[C@H](O)Cn3c4ccccc4c4ccccc43)ccc21	102416266	RYFVJGKWGDERFS-NRFANRHFSA-N	568.651	4.004	10	40	KICB	
CN1CCN(c2ccc(/C=C(/Sc3nnc(-c4ccc(Cl)cc4)o3)C(=O)O)cc2[N+](=O)[O-])CC1	408632618	FTANKNSRFOXUAV-CPNJWEJPSA-N	501.952	4.268	10	40	KICB	
O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1	408801631	WMDVOUFSRDIXDJ-UDWIEESQSA-N	538.310	4.308	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)ccc1OCc1ccc(F)cc1	408934235	DDVGUHXAIWGBBM-FYJGNVAPSA-N	504.470	4.168	10	40	KICB	
COC(=O)c1cccc(-n2c(C)cc(/C=c3/sc4n(c3=O)[C@@H](c3ccc(OC)cc3)C(C(=O)OC(C)C)=C(C)N=4)c2C)c1	409333976	GLJJJBADWQLAQI-HRIDGTDGSA-N	599.709	4.390	10	40	KICB	
COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1	8383762	HBXUSVIJCDIDHK-BUVRLJJBSA-N	506.580	4.252	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br	8424772	SFEIRYWYNMILNK-QARYAGPDSA-N	614.562	4.424	10	40	KICB	
O=C1/C(=C/c2c(N3CCN(c4ccccc4)CC3)nc3ccccn3c2=O)SC(=S)N1C1CCCC1	8859263	CKFJCHABXCCTFH-PYCFMQQDSA-N	517.680	4.165	10	40	KICB	
CCCCN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	8860036	LSGJKELIZFMPTO-XLNRJJMWSA-N	519.696	4.331	10	40	KICB	
COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc([N+](=O)[O-])cc2OC)c1C	223727687	KNWQXSQGCKAKCE-JWQCQUIFSA-N	523.615	4.332	10	40	KICB	
COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1	409017524	XBYCYAJYUYGFMZ-HYARGMPZSA-N	557.422	4.398	10	40	KICB	
O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccccc1	409069269	WWEFFQJZQLELOV-VCHYOVAHSA-N	562.343	4.336	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409091020	ONRGIIGPNOHXEB-LZYBPNLTSA-N	599.306	4.438	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409220010	SPSABADZQARVAU-VXLYETTFSA-N	556.358	4.392	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(Cc4ccc(Cl)cc4)c4ccccc43)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	409391350	YEXLAYJSXHAVRJ-DFXXOVSGSA-N	613.139	4.435	10	40	KICB	
NCC[C@@H](Oc1ccc(/N=N/c2ccc3c(c2)OCCOCCOCCOCCO3)cc1)C(=O)Nc1ccc2c(c1)OCCOCCOCCOCCO2	1775962705	XOOSCXWWXSWFLT-UVINTRQRSA-N	754.834	4.479	10	40	KICB	
COc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1/C=C1/C(=N)N2N=C(C(F)(F)F)SC2=NC1=O	102409704	XOERNXPFFOFOMT-XJEJOFHUSA-N	535.460	4.243	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OC	408981907	DPCNVVSAWWYSKH-AUWJEWJLSA-N	540.741	4.327	10	40	KICB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1	409219195	NWAZGUHPYIYILW-FYJGNVAPSA-N	534.912	4.241	10	40	KICB	
O=C(COc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl)Nc1ccccc1F	409377255	HAFHAMGEKWBLOK-YVLHZVERSA-N	538.875	4.071	10	40	KICB	
COc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)cc2)cc1	409388805	XESORNLPLWJTIC-STZFKDTASA-N	519.941	4.341	10	40	KICB	
COC(=O)C[C@H](c1cc(OC)c2c(c1)OCCO2)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12	96220845	WLUIPSIQPSRYFY-MRXNPFEDSA-N	520.490	4.052	10	40	KICB	biogenic
COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc1COc1ccc(NC(C)=O)cc1	100292598	HUWAKLCVVJXFOM-PXLXIMEGSA-N	531.590	4.073	10	40	KICB	
CCN1C(=O)/C(=C/c2cc(C)n(-c3sc(C)c(C)c3C(=O)OC)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21	101377490	AXCSMFPKMWVRHQ-BUVRLJJBSA-N	583.732	4.487	10	40	KICB	
CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCOc4ccccc4)c(Cl)c3)C(=N)N21	101396922	XIFVSWSNRVGQOZ-NWSLSDTJSA-N	533.031	4.198	10	40	KICB	
CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(N(C)C)c(Br)c3)c2=O)=N1	103827445	FXPRRWXBPHYILE-RISWYLRJSA-N	614.562	4.424	10	40	KICB	
Cc1cc(N2C(=O)NC(=O)/C(=C\c3c(C)nn(-c4cccc([N+](=O)[O-])c4)c3C)C2=O)ccc1Br	408757380	MSQVKGYNWCGNHW-YBFXNURJSA-N	524.331	4.135	10	40	KICB	
Cc1cc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)cc(I)c3O)C2=O)ccc1Br	408765483	WFXDREBBSULSCU-WUXMJOGZSA-N	561.557	4.388	10	40	KICB	
COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)NCc2ccco2)cc1	408874304	BAUSLJSEBDEBJW-LIAPLOTISA-N	500.551	4.409	10	40	KICB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c(OCc2ccccc2Br)c1	408900293	UWOSGFRZPSFTSN-UDWIEESQSA-N	523.339	4.409	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)cc(Br)c1OCC	409069895	YJDBONNYMZUAPQ-OQLLNIDSSA-N	535.416	4.095	10	40	KICB	
COc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OC	409369302	ASCSLUTWLSFKAY-STZFKDTASA-N	529.549	4.005	10	40	KICB	
O=C(COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br)Nc1cccc(F)c1	409399228	GRQJOUFMHDASTO-ODLFYWEKSA-N	510.319	4.067	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)c(N3CCSCC3)nc12	2355490	DAMUULLZVOKDND-UYRXBGFRSA-N	512.657	4.097	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	408801667	WUAANSPJGHQOML-CIAFOILYSA-N	532.465	4.147	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408879565	GXJTZICRFNPGEK-BOPFTXTBSA-N	636.395	4.181	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OCC(=O)Nc4ccc(C)cc4C)c3)C2=O)cc1	409267981	XNPJRVOHSVFOJM-LFVJCYFKSA-N	513.550	4.386	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCC(=O)OC	409338864	PTWJCQPILFJPHM-LSCVHKIXSA-N	507.973	4.425	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCC	409387488	QYFSNZOONNNNPK-GZTJUZNOSA-N	550.418	4.482	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(OC)cc1	409387806	QWGJWBWFZLBEIJ-LPYMAVHISA-N	549.967	4.431	10	40	KICB	
CCOC(=O)c1c(NC(=O)COC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)sc(C(=O)N(C)C)c1C	3345986	SDNXXFMHEJOQGT-UHFFFAOYSA-N	529.590	4.277	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	408534026	KUJZBMSQPRGQJL-LJDCBMQGSA-N	639.358	4.493	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409078745	JOGILYVOBGYMSF-WOJGMQOQSA-N	534.437	4.066	10	40	KICB	
C[C@@H]1CCCCN1C(=O)Cn1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c2cc(Br)ccc21	409196548	PHLTWRLJOOQBPJ-YQODDJSKSA-N	541.446	4.209	10	40	KICB	
O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)c(I)c1	409372443	KWBKQLWOESMNPP-VCHYOVAHSA-N	546.292	4.264	10	40	KICB	
Cc1cc(C(F)(F)F)nn1CCC(=O)N1CCOc2ccc(N3CCOCC3)cc2Cc2cccc(c2)C(=O)N(C)CC1	643568004	DLZOQYBYAMOVPQ-UHFFFAOYSA-N	599.654	4.021	10	40	KICB	
COc1ccc(C)cc1N(CC(=O)NCc1ccc(N2CCCC2)cc1)S(=O)(=O)c1ccc(C)cc1	13647950	GKAWOKZCKROUNP-UHFFFAOYSA-N	507.656	4.424	10	40	KICB	
CCCN1C(=O)/C(=C/c2c(N3CCN(c4ccc(F)cc4)CC3)nc3c(C)cccn3c2=O)SC1=S	27021404	CMWJRZVBXBDYKC-PGMHBOJBSA-N	523.659	4.080	10	40	KICB	
Cc1ccc(/C=C2\SC(=S)N(CCC(=O)NCCN3CCN(C(=O)CCN4C(=O)/C(=C\c5ccc(C)cc5)SC4=S)CC3)C2=O)cc1	150436299	JTGQMSBHUJZORY-KKTFQPMKSA-N	707.969	4.447	10	40	KICB	
C[C@@H](NS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1)c1ccc(N2CCCCC2)cc1	224406323	UHDXOPGMSRVMJZ-OAHLLOKOSA-N	506.053	4.474	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OC(=O)c1ccccc1I	408724531	FIVPGQHKJUYHGM-YVLHZVERSA-N	569.398	4.195	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(NC)c(I)c3)C2=O)cc1	408739694	DOORAJBOBXNHLP-RIYZIHGNSA-N	617.181	4.003	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408886645	HTYMAPIVWFOYCB-FYJGNVAPSA-N	599.017	4.268	10	40	KICB	
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)c(O)c(Br)c1	409047273	OAIUUCPRNZANHA-WEVVVXLNSA-N	500.530	4.237	10	40	KICB	
COc1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1S(=O)(=O)NC1CC1	12524862	LXGOZBVZMWUANR-UHFFFAOYSA-N	510.612	4.200	10	40	KICB	
COc1ccc(N2CCN(C(=O)c3ccc(CN(c4c(C)cccc4C)S(C)(=O)=O)cc3)CC2)cc1	224032625	KLKFAHALMLGOJL-UHFFFAOYSA-N	507.656	4.241	10	40	KICB	
C/C=C/Oc1c(I)cc(/C=C2/C(=O)NC(=S)N(c3cccc(OCC)c3)C2=O)cc1OC	408801993	XPQPEEFYZCEDBM-AVJIKAAUSA-N	564.401	4.442	10	40	KICB	
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c2=O)=N1	409030818	FQRMUXXPPZDNLX-FHMSYZJOSA-N	540.689	4.272	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)Nc4ccccc4F)c(OC)c3)C2=O)cc1	409380199	KDKPYWNKLLVOGI-WOJGMQOQSA-N	553.930	4.180	10	40	KICB	
Cc1ccccc1[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccccc3Br)C(=O)[C@H]12	13512593	FAFWLOVVHCVDRI-FDFHNCONSA-N	516.347	4.453	10	40	KICB	
CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc(S(N)(=O)=O)cc4)N=C3C(F)(F)F)o2)cc1	18059178	OSUSIQUUWVKDAT-UYRXBGFRSA-N	533.484	4.119	10	40	KICB	
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)[C@H]3CCCO3)c3ccccc32)S1	59471499	QKEVKALQSUGQJM-CQSZACIVSA-N	505.639	4.067	10	40	KICB	
Cc1cc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC(=O)O)c(I)c3)C2=O)ccc1Br	408753538	GIRYAWRMCNSZIV-LFYBBSHMSA-N	664.044	4.254	10	40	KICB	
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)c2=O)=N1	409030949	IPDVZZQKHVRIII-OCEWKHMESA-N	515.610	4.345	10	40	KICB	
O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1	409075313	QRBFYMSKFZHZHH-LDADJPATSA-N	517.346	4.428	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)cc1	409079683	LUVVRHUXWOJITQ-DEDYPNTBSA-N	518.438	4.360	10	40	KICB	
CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C2=O)ccc1Cl	409168091	KCQJEYYWKANJOM-XKZIYDEJSA-N	589.026	4.327	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1OCC(=O)Nc1cc(C)cc(C)c1	409251739	QLGPBDSNOLGQEI-BKUYFWCQSA-N	514.625	4.396	10	40	KICB	
COC(=O)COc1cc(Br)c(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1OC	409345244	KWNGQRRFZSROIN-VXLYETTFSA-N	537.457	4.481	10	40	KICB	
CC(=O)c1cccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC(C)(C)C)c2ccc(N3CCOCC3)cc2)c1	6074219	ANBUBTAKFHNTAW-PMERELPUSA-N	568.678	4.160	10	40	KICB	
CCc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCC(C)C)c2ccc(N(C)C)cc2)cc1	6134745	OKQLNLRTNLPNCU-DEOSSOPVSA-N	536.702	4.003	10	40	KICB	
CCOC(=O)N1CCN(C(=O)CCCCCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)CC1	8820183	HSZVCFDDVIQVKM-MNDPQUGUSA-N	510.081	4.402	10	40	KICB	
CC[C@@H](C)N1C(=O)/C(=C\c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	100860348	COJMBKDYYFZUAQ-GNFOSXPUSA-N	537.686	4.468	10	40	KICB	
O=C1C(/N=N/c2ccc(S(=O)(=O)Nc3ncccn3)cc2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1	104240920	ROPMBMQGOCGNSH-QVIHXGFCSA-N	557.617	4.095	10	40	KICB	
Cc1cc(N2C(=O)NC(=O)/C(=C\Nc3ccccc3I)C2=O)c(C)cc1Br	408534093	UUKWDMBDQLVXKQ-FMIVXFBMSA-N	540.155	4.249	10	40	KICB	
CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OCC	408756749	XBACFJGUVYOIHA-CXUHLZMHSA-N	565.804	4.418	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc(Cl)c1OCc1ccc(F)cc1	408937145	IIHBFUWKHDDFLP-VXLYETTFSA-N	524.888	4.431	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(C)=O)c4)c3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409040920	VESAIRYDRSAFON-FPWMYLJGSA-N	671.772	4.359	10	40	KICB	
CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(s/c(=C/c3ccc(N4CCCC4)cc3)c2=O)=N1	409062583	XBUMXSLBPBBCHV-XKGHIZKOSA-N	531.678	4.187	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccccc1	409075113	UPZKHBSSUNYTGH-WOJGMQOQSA-N	547.372	4.436	10	40	KICB	
CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)C1=O	409245229	PJPLYQJYOSXUPI-LPYMAVHISA-N	517.542	4.105	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(OCC(=O)Nc4ccc(C)cc4C)c(OC)c3)C2=O)cc1	409261430	BSYWFDJPVUZHFD-MTJSOVHGSA-N	592.004	4.436	10	40	KICB	
CCN1C(=O)/C(=C/c2cc(I)c(OC)c(I)c2)SC1=S	409378754	RDDFRZHRBOTDBB-POHAHGRESA-N	531.178	4.126	10	40	KICB	
COc1cc(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)Nc1ccccc1F	409404869	FECRWEZWICEGKK-PDGQHHTCSA-N	540.345	4.076	10	40	KICB	
CN1CCN(C(=O)COc2ccc(CN3CCCC3)cc2)CCOc2ccc(N3CCOCC3)cc2Cc2cccc(c2)C1=O	643568029	HMMQZQWZRQNZBJ-UHFFFAOYSA-N	612.771	4.082	10	40	KICB	
COc1cc(/C=C2\C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)N=C2O)cc(C(=O)O)c1OCc1ccccc1	16195727	BEUJHKIHCULCSA-JAIQZWGSSA-N	517.450	4.387	10	40	KICB	
CCOc1c(OC)cccc1[C@@H]1CC(=O)Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c21	96222619	NVTDXTQTGOWOPS-AWEZNQCLSA-N	506.463	4.131	10	40	KICB	biogenic
COc1ccc(CCN2C(=O)/C(=C3\SC(=S)N(CCc4ccc(OC)cc4)C3=O)SC2=S)cc1	101016883	UULYYJBREGQGPW-FMQUCBEESA-N	530.718	4.421	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OC(=O)c3ccc(Br)cc3)C2=O)cc1	408531481	GYGODXSOBQAXFU-ZHZULCJRSA-N	521.323	4.343	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1	409038622	AIAQBQADWIWHSA-MTJSOVHGSA-N	519.941	4.341	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1	409065599	HXCFYXGBHOJQTD-GIJQJNRQSA-N	683.820	4.296	10	40	KICB	
COc1ccc(N2C(=O)/C(=C/c3ccc(OC(C)C)c(Br)c3)C(=O)NC2=S)c(OC)c1	409097271	IATWSDWTCATJGR-OQLLNIDSSA-N	505.390	4.085	10	40	KICB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@H]1c1ccccc1OC	409105766	KJPKYWHCYZBNJS-TZUCAZQYSA-N	598.725	4.248	10	40	KICB	
CCc1cccc2c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cn(CC(=O)NCCOC)c12	409122656	ARJAQAGCCMJYLP-KQWNVCNZSA-N	507.681	4.410	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1	409249535	UQEFVXGZIFHUKU-WQRHYEAKSA-N	551.440	4.151	10	40	KICB	
N=C1/C(=C/c2ccc(OC(=O)c3ccc(F)cc3)cc2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12	13778963	ZEIIJZLIRQHKCT-XDWJAMLSSA-N	519.558	4.067	10	40	KICB	
COc1ccc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc1CN1C(=O)c2ccccc2C1=O	17028210	MVYNCGYIGQPFFL-CPNJWEJPSA-N	515.522	4.302	10	40	KICB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccc(N2CCOCC2)cc1	223170314	UEYCUFYTZNXRJU-KYJUHHDHSA-N	560.768	4.021	10	40	KICB	
COc1ccc(NS(=O)(=O)c2ccc(N/C=C3\C(=O)NC(=O)N(c4c(C)cc(C)cc4C)C3=O)cc2)cc1	408531604	KXKPHVBDWHLTTR-HZHRSRAPSA-N	534.594	4.000	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	409016842	ADIBPQUFYBSLTD-PLMBTIQCSA-N	629.735	4.318	10	40	KICB	
COc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1OC	409084231	CBHOPBZFVIHCTI-UXBLZVDNSA-N	500.132	4.440	10	40	KICB	
CCOCCCN1C(=O)/C(=C/c2c(N3CCc4ccccc4C3)nc3c(C)cccn3c2=O)SC1=S	2394082	MFVYPRIJUFIFHG-JWGURIENSA-N	520.680	4.193	10	40	KICB	
COc1ccc(N2CCN(C(=O)CN(c3cc(C)cc(C)c3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1	20060824	ZLQZPBMVUPKCKQ-UHFFFAOYSA-N	507.656	4.165	10	40	KICB	
COc1ccc(CCN2C(=O)/C(=C/c3c(NC[C@@H](O)c4ccccc4)nc4ccccn4c3=O)SC2=S)cc1	97947273	NTLYRHUEUUAPOV-QHKNXTSZSA-N	558.685	4.293	10	40	KICB	
CCN(CC)c1ccc(CNC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	223242693	INCGZKZTGKDNRO-UHFFFAOYSA-N	540.642	4.270	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408527973	ANJUQUUTUBNPTP-XSFVSMFZSA-N	515.478	4.188	10	40	KICB	
COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1I	408846951	OHMGOOVNDIMRRC-VGOFMYFVSA-N	602.166	4.188	10	40	KICB	
COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc(I)c3)c2C)C1=O	409096748	DXMNHIKARWFTJD-LFMVTYOGSA-N	510.353	4.297	10	40	KICB	
O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1	13667677	IIDLTISYIFKHQJ-LJAQVGFWSA-N	501.652	4.270	10	40	KICB	
CCN1/C(=c2/s/c(=C3\C(=O)N(c4ccccc4)N=C3C)n(-c3cccc(C)c3)c2=O)Sc2ccccc21	100200808	HIIZPYRVFGHFNG-OYUJONNZSA-N	524.671	4.479	10	40	KICB	
CC(C)CCN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC1=S	100871292	CGGICVZGMLQFBV-XLNRJJMWSA-N	537.686	4.408	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc(I)c1OC(C)C	408804218	DIEDPBIHWPLKMW-CXUHLZMHSA-N	534.350	4.370	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1	408842674	ALNRZXHJJSRKDZ-KEBDBYFISA-N	669.428	4.411	10	40	KICB	
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1	408951013	KRDPWOASBRMSQY-GIJQJNRQSA-N	565.332	4.121	10	40	KICB	
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(I)c1	408952619	OMGYQILKEUBKLE-GIJQJNRQSA-N	586.313	4.404	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C(=O)O)cc4)c(Br)c3)C2=O)cc1	409064719	FMCWYOYFURRKGP-UDWIEESQSA-N	579.359	4.179	10	40	KICB	
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)CN3C(=O)c4ccccc4C3=O)c3ccc(C)cc32)S1	8456492	YPLSRXSPGSSSMS-UHFFFAOYSA-N	608.719	4.493	10	40	KICB	
CCC(C)(C)n1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CCN(c2ccc(OC)cc2)CC1	20079627	MEPOJTAJIUIZOL-SANMLTNESA-N	515.662	4.197	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(N3CCN(Cc4ccccc4)CC3)nc12	97946179	CUMFLWDMJVEMMC-PKAZHMFMSA-N	611.749	4.455	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	408537700	WRSDNINJYNUBAX-VLAPBQICSA-N	527.489	4.197	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1	408913488	VDFSOLIVERSPLJ-DJKKODMXSA-N	633.345	4.262	10	40	KICB	
COc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)cc2OC)c1	409258096	WJVMDNZPNFWVGT-ZIHVZMLCSA-N	514.625	4.102	10	40	KICB	
CC1(C)[C@H]([N+](=O)[O-])[C@H](c2cc(Br)ccc2O)N[C@H](c2cc(Br)ccc2O)[C@@H]1[N+](=O)[O-]	8431692	LGUYRGFXQNABSG-FZDBZEDMSA-N	545.184	4.325	10	40	KICB	
CN1C(=O)[C@@]2(c3cc(Cl)ccc31)N(C)C[C@@H](c1ccco1)[C@@]21SC(=S)N(Cc2ccco2)C1=O	13591802	OCHPSJZGZHFTPG-VWMXVWASSA-N	514.028	4.226	10	40	KICB	
COC(=O)c1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(OCc4ccccc4)c(C(=O)O)c3)C2=O)cc1	32115626	XSTKQXZIKKEKIM-STZFKDTASA-N	500.463	4.257	10	40	KICB	
CCOc1cc(/C=C2/C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2O)cc(Br)c1OCC	59105118	IEPSUVWTBKPBLJ-VGOFMYFVSA-N	503.305	4.482	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	102869492	NMECJMQVTFBPMX-VJBWXMMDSA-N	574.383	4.321	10	40	KICB	
Cc1cc(C)nc(NS(=O)(=O)c2ccc(/N=N/N3CCN(/N=N/c4ccc(S(=O)(=O)Nc5nc(C)cc(C)n5)cc4)CC3)cc2)n1	150377974	BVPRSGMWJMMMQM-YEQLPCBTSA-N	664.778	4.417	10	40	KICB	
COc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc1[N+](=O)[O-]	408741969	OPFUZBUCZVJSDH-WUXMJOGZSA-N	555.204	4.268	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1cccc(OC)c1	409258350	WOAQYAMBYSEIQC-XBPUZACXSA-N	528.652	4.492	10	40	KICB	
COC(=O)c1c(NC(=O)CCC(=O)Nc2sc3c(c2C(=O)OC)CCCC3)sc2c1CCCC2	2131946	SYPFSCHGQQXLIZ-UHFFFAOYSA-N	504.630	4.498	10	40	KICB	
COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl	59485064	YQDKSMOIBJHXED-UHFFFAOYSA-N	500.132	4.093	10	40	KICB	
CC[C@H](C)N1C(=O)/C(=C\c2c(N3CCN(c4ccc(F)cc4)CC3)nc3c(C)cccn3c2=O)SC1=S	100860303	SLLRVAWQRYIOLL-RMDTYCCRSA-N	537.686	4.468	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl	408914032	XDIFYFFEFXNFKP-WLRTZDKTSA-N	577.227	4.442	10	40	KICB	
O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Cl)ccc1OS(=O)(=O)c1ccc(Cl)cc1	409066832	MLSZULCGNYTSRY-YBFXNURJSA-N	562.343	4.336	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1	409072622	JXJFMWKVCGQZDZ-YBFXNURJSA-N	668.849	4.483	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409226550	URTUIDZXPLSZLC-KEBDBYFISA-N	609.389	4.358	10	40	KICB	
COc1ccc(N2CCN([C@H](c3cc4cc(C)cc(C)c4[nH]c3=O)c3nnnn3CCc3ccccc3)CC2)cc1	1362024	OYZDMBPEPAYGGF-SSEXGKCCSA-N	549.679	4.294	10	40	KICB	
COc1ccccc1OCCn1cc(/C=C2\C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c2ccccc21	8777617	PBPQYMSXQWWGBP-XHPQRKPJSA-N	573.671	4.267	10	40	KICB	
O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)N3CCCC3)C2=O)SC1=S)N1CCCC1	101002492	ZDHPPVXWALPPSW-QURGRASLSA-N	596.866	4.284	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408890575	VVVHITKYARJLQU-RGVLZGJSSA-N	677.429	4.341	10	40	KICB	
CCOc1cc(OCC)c(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1Br	409096277	KHGNFUDMBSCZHV-OQLLNIDSSA-N	535.416	4.095	10	40	KICB	
CC[C@H](C)N1C(=O)/C(=C/c2c(N3CCN(c4ccccc4F)CC3)nc3ccc(C)cn3c2=O)SC1=S	2367875	CQWNMVTZCRHLSH-CEZZIEKDSA-N	537.686	4.468	10	40	KICB	
CC[C@H](C)Oc1c(I)cc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1OC	12868286	WFMZYPVYKOFOAX-RKPNYOAGSA-N	526.371	4.272	10	40	KICB	
COc1ccc(N2CCN(C(=O)CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1	20060692	MWAFTAUHVBEFKL-UHFFFAOYSA-N	507.656	4.165	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c(N3C[C@H](C)O[C@H](C)C3)nc12	27016533	FGEHNEFXVJIBEO-GAWXUAEISA-N	506.653	4.018	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(I)c1OC(C)C	408803842	TZNSVVLANBOKOD-LICLKQGHSA-N	550.349	4.152	10	40	KICB	
CN1C(=O)/C(=C\c2cn(CCOc3ccccc3Cl)c3ccc(Br)cc23)C(=O)NC1=S	409144667	ZLDYGQPJVONLGU-YBEGLDIGSA-N	518.820	4.393	10	40	KICB	
CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCOCC4)cc3)C2=O)ccc1Cl	409155392	PRJIRZBTIRGGMH-HYARGMPZSA-N	544.029	4.418	10	40	KICB	
O=C(COc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Br)Nc1ccccc1F	409374943	BXTHOUDMUJEPRN-YVLHZVERSA-N	583.326	4.180	10	40	KICB	
Cc1ccc(N2C(=O)/C(=C\c3cn(CC(=O)NCc4cccs4)c4ccccc34)C(=O)NC2=S)cc1C	8450544	ZPAVGHWBDVQFDE-QRVIBDJDSA-N	528.659	4.467	10	40	KICB	
Cc1ccccc1[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12	18123205	JIPHVOKKOBXSDY-BHIFYINESA-N	516.347	4.453	10	40	KICB	
Cc1cc(OCCCOc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)ccc1Cl	97964432	WYIDZVIFRSWQEC-IVTJCWFQSA-N	533.031	4.118	10	40	KICB	
CCOc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(Cl)cc1)OC21C(=O)c2ccccc2C1=O	101482525	SMCXJBKSVYHVDA-DNVJHFABSA-N	501.922	4.434	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(I)c1OCC(=O)O	408856354	HPPCCMQCKKXSDC-IZZDOVSWSA-N	621.236	4.291	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Cl)c1OCC(=O)O	408860021	XFXCAJDIRCPHHH-IZZDOVSWSA-N	529.785	4.340	10	40	KICB	
COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O	409233652	GZUNVNJUSDAVDS-BUVRLJJBSA-N	539.548	4.446	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1F	409383483	YNRMNQKRSXECME-BOPFTXTBSA-N	584.423	4.446	10	40	KICB	
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)c3ccccc23)c1	6089031	HGOCOMPTXFNHQS-UHFFFAOYSA-N	528.524	4.258	10	40	KICB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1	17306816	OVLGWYCLMFOZST-IDCRMVTHSA-N	525.677	4.326	10	40	KICB	
Cc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=O)N=C2O)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	59109561	PGPXAGVQZZVYOY-PXLXIMEGSA-N	521.574	4.474	10	40	KICB	
CCN1/C(=c2/s/c(=C3/C(=O)N(C4CCCCC4)N=C3C)n(-c3ccccc3)c2=O)C=Cc2ccccc21	100501662	ZHAJFOABMAWXEI-IQAPSFSXSA-N	510.663	4.262	10	40	KICB	
CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCN(c4ccc(OC)cc4)CC3)c(Cl)c2)cc1	408636275	NFTULROLRBQGSY-UHFFFAOYSA-N	560.072	4.276	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	408725817	KWAVXHWPSKTUAC-IAOUMNOZSA-N	540.689	4.272	10	40	KICB	
O=C(COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O)Nc1ccc(F)cc1	408903602	UEBGSZNONBEHJU-DEDYPNTBSA-N	538.329	4.272	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1	408915141	VGSJAPIVNIEWTA-VXLYETTFSA-N	615.355	4.123	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)ccc1OCc1ccc(C)cc1	408935646	IHIMHHVUSMPTHL-HYARGMPZSA-N	500.507	4.337	10	40	KICB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(s/c(=C/c3ccc(N4CCCC4)c(C)c3)c2=O)=N1	409055933	FOMKJUPRLSPKFE-QVOHLBINSA-N	545.705	4.496	10	40	KICB	
COc1ccccc1N1C(=O)/C(=C/c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)C(=O)NC1=S	409171575	AARDLWPVHSAVGP-KGENOOAVSA-N	528.565	4.259	10	40	KICB	
COC(=O)[C@@H](NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21)c1ccccc1	1565524937	YNDVIWIPQPIHJV-YTMVLYRLSA-N	522.605	4.209	10	40	KICB	
COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCOCCOc1ccc(C)c(C)c1	13941864	JOLNVMLRWCYAJQ-XIEYBQDHSA-N	502.567	4.248	10	40	KICB	
CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1Cl	16682818	RCIDXJWMOCQECE-AUWJEWJLSA-N	513.786	4.420	10	40	KICB	
CC[C@@H](C)N1C(=O)/C(=C/c2c(NCc3ccc4c(c3)OCO4)nc3ccc(C)cn3c2=O)SC1=S	16734293	AVJZCIXKTBDMPG-RKQRPNFGSA-N	508.625	4.343	10	40	KICB	
CN1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)c(I)c2)C(=O)N(C)C1=S	103856423	GKMPRZAFKOZGLW-UHFFFAOYSA-N	526.783	4.122	10	40	KICB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)cc1NS(C)(=O)=O	225474365	JQOHSRKVBPLEMH-IZZNHLLZSA-N	548.694	4.441	10	40	KICB	
Cc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	408596539	ZXZWBELXAFCEHB-WSDLNYQXSA-N	524.371	4.413	10	40	KICB	
COc1cc(Br)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1Oc1ccc([N+](=O)[O-])cn1	409404873	FEYIQLFTLBLJQW-LICLKQGHSA-N	511.288	4.015	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1cccc(F)c1	409407245	LXLYRDKHGHEXNZ-JAIQZWGSSA-N	601.372	4.308	10	40	KICB	
CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2ccc(C(=O)OCCN(CC)CC)cc2)SC1=S	618254730	HKSLWXCVNPYXTL-PMKMQUDQSA-N	555.722	4.473	10	40	KICB	
CC[C@H](C)N1C(=O)/C(=C/c2c(NCc3ccc4c(c3)OCO4)nc3ccc(C)cn3c2=O)SC1=S	16734297	AVJZCIXKTBDMPG-ANQVYJHKSA-N	508.625	4.343	10	40	KICB	
COc1ccc(/C=C2\SC(=S)N(CCCC(=O)NCCc3ccc(OC)c(OC)c3)C2=O)cc1	54360628	YPMJUHZNLIGRHP-JWGURIENSA-N	500.642	4.053	10	40	KICB	
C/C(NCCCCN[C@@H](C)[C@@H]1N=C(c2ccc(Cl)cc2)OC1=O)=C1\N=C(c2ccc(Cl)cc2)OC1=O	97944451	IPFLJLUJCGYYEL-SXEVQNNFSA-N	529.424	4.248	10	40	KICB	
CCOCCCN1C(=O)/C(=C/c2c(N3CCN(c4ccc(F)cc4)CC3)nc3c(C)cccn3c2=O)SC1=S	97947280	NCLQJURNPVOWGN-NKFKGCMQSA-N	567.712	4.096	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1	100185651	HALYNTKEVFPDKW-QPJBPQEWSA-N	572.643	4.123	10	40	KICB	
CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1	102993451	MAGNIAXBDMIADW-HDAKKWKLSA-N	555.703	4.173	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1ccccc1OC(C)C	408837163	ZLYCRVVXHGJMCB-QPJBPQEWSA-N	549.693	4.137	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(C)=O)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409035221	PDQORUMSPHQYEA-VEOKEAFVSA-N	671.772	4.359	10	40	KICB	
COc1ccccc1N1C(=O)/C(=C/c2cn(CC(=O)Nc3cccc(C)c3)c3ccccc23)C(=O)NC1=S	409166304	DDALPSIQRNLKKD-PXLXIMEGSA-N	524.602	4.428	10	40	KICB	
[N-]=[N+]=NCCOCCOCCOCCOCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21	585662053	UJBMQXVHSKEUJW-UHFFFAOYSA-N	651.698	4.329	10	40	KICB	
COc1ccc(CCN2C(=O)NC(=O)/C(=C\c3ccc4c(c3)CCCN4Cc3ccccc3)C2=O)cc1OC	9011911	MSZFFQVOACJUPL-XIEYBQDHSA-N	525.605	4.361	10	40	KICB	
O=C(O)CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)SC1=S	16735719	LQLWOGMKRYFJFA-STZFKDTASA-N	507.593	4.377	10	40	KICB	
COc1ccc(N2C(=O)/C(=C3\SC(=S)N(c4ccc(OC)cc4OC)C3=O)SC2=S)c(OC)c1	101016909	IEWASTVXMOSIMN-ISLYRVAYSA-N	534.662	4.362	10	40	KICB	
O=C1/C(=C/c2c(N3CCSCC3)nc3ccccn3c2=O)SC(=S)N1CCCc1ccccc1	2363128	IKLRCBLVPLGASE-JZJYNLBNSA-N	508.694	4.082	10	40	KICB	
CC[C@H](C)N1C(=O)/C(=C\c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC1=S	9461990	DCDRBUZSDHWAAY-QFGIDJEJSA-N	523.659	4.160	10	40	KICB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccc(N2CCOCC2)cc1	223170141	UEYCUFYTZNXRJU-LOYHVIPDSA-N	560.768	4.021	10	40	KICB	
CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408527500	ATQBJEDHLVHWDP-IUXPMGMMSA-N	598.331	4.405	10	40	KICB	
O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1cc(Br)c(N2CCCC2)o1	408809558	HAYNKYSDDMDAMI-NTEUORMPSA-N	509.154	4.071	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1	409045661	GZHCIEXBICZAIJ-BKUYFWCQSA-N	564.392	4.450	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1C	409261210	BXWIJZCONCDRSZ-BKUYFWCQSA-N	683.455	4.469	10	40	KICB	
COc1cc2c3c(c1)/C(=C1/SC(=S)NC1=O)C(=O)N3C(C)(C)C=C2CN1CCN(c2ccccc2F)CC1	1554503312	ZEXHTTFSQYSPMF-GYHWCHFESA-N	550.681	4.038	10	40	KICB	
COc1ccc(N2CCN(C(=O)c3ccc4c(c3)C[C@H](C)N4S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1	20448719	GDDBJVHAZRPEBB-IBGZPJMESA-N	526.058	4.451	10	40	KICB	
CCOc1ccc2c(c1)C(=C1SC(C(=O)OC)=C(C(=O)OC)S1)C(=S)C(C)(C)N2C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O	97999454	ZUTQPMBLKAMTSD-IAGOWNOFSA-N	644.793	4.462	10	40	KICB	
COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)c2C)c(OC)c1	101177550	LDVSYDULIXCAJL-WJQQQHEKSA-N	534.642	4.133	10	40	KICB	
COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C	223040104	UTFAXUVUKLEXMJ-KAYWLYCHSA-N	505.688	4.335	10	40	KICB	
COc1cc(S(=O)(=O)Nc2ccccc2)ccc1N/C=C1\C(=O)NC(=O)N(c2ccc(Br)c(C)c2)C1=O	408537011	YTZHIIVHURYDAK-XMHGGMMESA-N	585.436	4.146	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccc2c(c1)OCO2	408773532	RHNMHZKJGACKDG-SRZZPIQSSA-N	500.507	4.286	10	40	KICB	
C[C@H]1CCCCN1C(=O)Cn1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c2cc(Br)ccc21	409196546	PHLTWRLJOOQBPJ-IXGURIBZSA-N	541.446	4.209	10	40	KICB	
COC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1Br	409332379	QWGSYMPIZCRHAE-REZTVBANSA-N	508.371	4.135	10	40	KICB	
COc1ccc(N2CCN([C@@H](c3cc4c(C)cc(C)cc4[nH]c3=O)c3nnnn3Cc3ccccc3)CC2)cc1	6193653	VMFIBLJMAAWVKF-LJAQVGFWSA-N	535.652	4.100	10	40	KICB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=O)N(C)c4ccc(S(=O)(=O)N5CCOCC5)cc43)c2C)cc1C	8777656	OBARBTCCVHBVPV-QQXSKIMKSA-N	505.640	4.249	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OCC)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	103446584	KVOQYJDBUYRESZ-JLHDDXNDSA-N	629.735	4.400	10	40	KICB	
CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(N(CC)CC)cc3OC)c2=O)=N1	103827464	RXVYCFRPDFCKIE-PKYOQBLNSA-N	593.746	4.451	10	40	KICB	
CCc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2OC)C1=O	408534232	PTNCSIWUUWZJER-HMMYKYKNSA-N	599.463	4.400	10	40	KICB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCC)c(OC)c3)C2=O)cc1OC	409133780	RUUAGRQQEQCICY-LICLKQGHSA-N	594.402	4.158	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1	409270119	CJQJPMWVAUELRT-UNOMPAQXSA-N	521.016	4.432	10	40	KICB	
Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCc3ccc(N4CCOCC4)cc3)c2)cc1	20483629	GYSFQHQYCKZTRB-UHFFFAOYSA-N	500.020	4.216	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br	97966304	MQEPJGKVQPNGLB-QHZSLAKNSA-N	644.588	4.433	10	40	KICB	
COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1OCc1ccc(Br)cc1	103856760	IMACPYZEKLTMCE-UHFFFAOYSA-N	554.260	4.398	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408934269	ABIYCUCYXNXXFG-UDWIEESQSA-N	585.978	4.389	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(I)c1OCc1ccccc1F	409370982	BIMLBPZCUNJSMR-RQZCQDPDSA-N	576.318	4.273	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1O[C@H](C)CC	409410146	ZLBNJXFWKKQWHA-RQNDZEIBSA-N	506.340	4.329	10	40	KICB	
Cc1ccc2nc(N3CCN(c4ccccc4)CC3)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1	100870534	XLRKARFSMZCMRF-KQWNVCNZSA-N	543.674	4.324	10	40	KICB	
CCOC(=O)c1sc(N/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)c(C(=O)OCC)c1C	408526155	AQILXARLTPNKOH-GXDHUFHOSA-N	578.441	4.368	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	408535757	ORECTBAPGMKMMQ-YYLVAKQMSA-N	527.489	4.197	10	40	KICB	
COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)O)cc4)c(I)c3)C(=O)NC2=S)cc1	408786811	NZNOAEDZMNPJMZ-UDWIEESQSA-N	614.417	4.408	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1	408851354	BUFKZLPWHJHPGK-ZGOFBEGVSA-N	549.693	4.137	10	40	KICB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c(OS(=O)(=O)c2ccc(C)cc2)c1	408880963	JOSDGHMOVUJQIC-CPNJWEJPSA-N	526.954	4.091	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(I)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	8434803	IYGRMQSXJWKXCY-RJGXRXQPSA-N	621.383	4.163	10	40	KICB	
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCOCC3)cc2)c2ccc(C)c(Cl)c2)cc1	10113341	JJZVQWATGITYCU-UHFFFAOYSA-N	528.074	4.305	10	40	KICB	
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCOCC3)cc2)c2ccc(Br)cc2)cc1	100080778	FSXFGTXGPKWEDZ-UHFFFAOYSA-N	558.498	4.106	10	40	KICB	
COc1cc(/C=C2\C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	100266803	JEBWVXZKTSICPE-ALLGYFEPSA-N	562.629	4.469	10	40	KICB	
COc1cccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]23)c1	101130209	DXGIDUPULYCHNC-BHDDXSALSA-N	532.346	4.153	10	40	KICB	
COc1ccc(N2CCN(CCCNC(=O)CCc3nnc4n(Cc5ccc(Cl)cc5)c(=O)c5ccccc5n34)CC2)cc1	101531986	DZIHQLDDFIQXNK-UHFFFAOYSA-N	614.150	4.016	10	40	KICB	
O=C1NC(=S)S/C1=C\c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1	408890510	UXCXEKXOFMQDJB-JYRVWZFOSA-N	535.260	4.468	10	40	KICB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4OC)c(OC)c3)C2=O)cc1OC	409376037	SMWRADVDDFJAJZ-QNGOZBTKSA-N	589.601	4.185	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)Nc4ccc(OC)cc4)c(OC)c3)C2=O)cc1	409379559	XUKSKTVTBKKDKI-LPYMAVHISA-N	579.993	4.440	10	40	KICB	
O=C1[C@H]2[C@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(F)cc1	4119535	OICVASDHEJUTFN-HKBOAZHASA-N	520.310	4.283	10	40	KICB	
COc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1OC	8425783	WCZCDXNIWJETFO-RJGXRXQPSA-N	562.372	4.161	10	40	KICB	
O=C(CCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)Nc1cc([N+](=O)[O-])ccc1O	35984030	POWNBKSLBRPYCJ-SXGWCWSVSA-N	508.375	4.293	10	40	KICB	
CNCc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)[C@@](C)(OC=C[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](C)C=CC=C(C)C(=O)N2)O4	263606027	QKOQHNFJQIUIDQ-GITPODECSA-N	740.847	4.474	10	40	KICB	
COc1cccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c1	408530817	FWZGVSSMNZRPRS-NDENLUEZSA-N	566.320	4.252	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br	408767733	GRFZLABXAOAQBQ-HJUDQDPUSA-N	630.561	4.130	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3Cc3ccccc3Cl)C2=O)cc1	408881271	ISCHNGDCXUXOFM-PXLXIMEGSA-N	504.926	4.392	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409080071	HOEKWSTUMKUPNM-LDADJPATSA-N	518.438	4.360	10	40	KICB	
COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1	8383776	NRGJGUZEPYYRPD-LPYMAVHISA-N	537.931	4.204	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)ccc1OCc1cccc(C(=O)O)c1	59302865	WRTJULQQALNMHC-FYJGNVAPSA-N	502.548	4.112	10	40	KICB	
C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N(C)C3=O)c2)C[C@@H](C)O1	97947323	HWPPJWYZIJNTIA-SOCDCLKXSA-N	554.719	4.168	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	100310150	DSFOWNDGOGOOEY-WOJGMQOQSA-N	518.438	4.279	10	40	KICB	
O=C1N[C@H](c2cc(Br)cc(Br)c2O)[C@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1	102137343	MHILTQZWXCCEAM-UEKVPHQBSA-N	544.143	4.083	10	40	KICB	
COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408532351	UJSBJRHKSUQYAW-APSNUPSMSA-N	584.304	4.015	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1cccs1	408724629	ANFNLBSIXQXFJH-MGSPXPDISA-N	548.646	4.176	10	40	KICB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1I	409103753	FMSLRSPOWGLPPF-JXMROGBWSA-N	517.106	4.273	10	40	KICB	
COc1cc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)ccc1OCC(=O)N1CCOCC1	409197767	ONJVAEVWNPLUPP-LFVJCYFKSA-N	520.632	4.492	10	40	KICB	
COC(=O)COc1cc(Br)c(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cc1OC	409339214	SVEOVQYOJGSMJJ-NVMNQCDNSA-N	524.414	4.424	10	40	KICB	
COC(=O)COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1Br	409343582	HVBALUCHESWXRJ-CXUHLZMHSA-N	541.832	4.201	10	40	KICB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1	409408941	SFTIJZQAWTUPQX-UNOMPAQXSA-N	526.330	4.340	10	40	KICB	
COc1cc(Br)c(Br)c([C@@H]2N=C(O)c3c(sc4c3CCN(C)C4)N2)c1O	1250478	XOPSHRVEBZDZOT-OAHLLOKOSA-N	503.216	4.404	10	40	KICB	
CCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O	8858066	IUUZGOWLPNVSLA-QNGOZBTKSA-N	524.668	4.286	10	40	KICB	
COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCCC3)cc2)c2ccccc2)cc1OC	13672435	VCBSMHFFRUNQEN-UHFFFAOYSA-N	523.655	4.206	10	40	KICB	
O=C1[C@@H]2[C@H](c3ccccc3O)N[C@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@@H]2C(=O)N1c1ccc(Br)cc1	97956737	YHCPPBZNPZUVIH-TVQWTUMOSA-N	560.404	4.152	10	40	KICB	
Cc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)cc2)cc1C	101096287	SMNQOUSXVYDRMK-AQQGHWPGSA-N	531.638	4.393	10	40	KICB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)cc4)c(Cl)c3)C2=O)cc1	408898728	MQKNCNDOAUGKLR-DEDYPNTBSA-N	510.955	4.391	10	40	KICB	
CCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc1OCC	408937047	HPHRYSAFESOKHE-MHWRWJLKSA-N	517.332	4.001	10	40	KICB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCC(=O)O)c(Br)c1	409038269	ZZNOFQOJPVSKJC-RUDMXATFSA-N	505.193	4.414	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(C)cc4)c(Cl)c3)C2=O)cc1	409218374	ILUKUXXOZCFDNU-FYJGNVAPSA-N	519.941	4.341	10	40	KICB	
Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2Br)c1	409263881	NCOLEFFRFHKLGM-NDENLUEZSA-N	564.392	4.455	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1OC	409383394	XIQHSKYCTJRXBH-DEDYPNTBSA-N	579.993	4.440	10	40	KICB	
CNc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1I	100273148	YYZZCBUHVXWILU-WUXMJOGZSA-N	607.573	4.257	10	40	KICB	
COC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@H]1c1cc(Cl)ccc1OC	408956709	ZMDTVXXQWYAQEC-ZFWDJNJRSA-N	592.073	4.176	10	40	KICB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCOCC4)cc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1	409058446	OTRVHYSQDGTTDY-XKHCUCNPSA-N	595.721	4.171	10	40	KICB	
COc1cc(/C=C2\SC(=S)NC2=O)cc(I)c1OCC(=O)Nc1c(C)cccc1C	409230199	XLWGAUSSSFRYSZ-SXGWCWSVSA-N	554.431	4.423	10	40	KICB	
COc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2)cc1	409382366	KSNBTQHWBUUCQR-HMAPJEAMSA-N	505.914	4.033	10	40	KICB	
CCC(C)(C)NC(=O)[C@@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1C	6077424	DLRYHGJHXVLPCN-HSZRJFAPSA-N	536.702	4.200	10	40	KICB	
CCOc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc(I)c1OC	59135492	MREILJXRXNALHA-RIYZIHGNSA-N	510.259	4.344	10	40	KICB	
COc1cc(OC)c([C@H]2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)cc1OC	96115099	FHDNUTSUWGSOGF-CQSZACIVSA-N	506.463	4.044	10	40	KICB	biogenic
COc1ccccc1OCCOc1c(Br)cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc1OC	97964608	JXNJYIAYZSARNO-GMJPIVBGSA-N	528.359	4.374	10	40	KICB	
CN1CCN(c2ccc([N+](=O)[O-])cc2C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)CC1	103761614	LTNKDMAMIDOPPN-UHFFFAOYSA-N	527.606	4.095	10	40	KICB	
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3cc(C)n(-c4ccc(C(C)=O)cc4)c3C)c2=O)=N1	409031283	AIFQNWXPTSUWRK-YNMQQHPQSA-N	539.657	4.408	10	40	KICB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccccc4)c(OCC)c3)C2=O)cc1OC	409122717	BEEQGHRXCFLETA-XQNSMLJCSA-N	594.642	4.312	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)c(OCC(=O)Nc4cc(C)ccc4C)c(OC)c3)C2=O)cc1	409247912	DVZKTXQIOKZMRR-MTJSOVHGSA-N	683.455	4.387	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409361692	DAHBOSPZUKNYFJ-JAIQZWGSSA-N	582.928	4.470	10	40	KICB	
COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(COc4ccc(NC(C)=O)cc4)c3)C(=O)NC2=S)cc1	100345577	JOLLOCWCPNXPBZ-IWIPYMOSSA-N	531.590	4.073	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccccc1OC(C)C	408820916	AKOHAITVSXAQQS-XKGHIZKOSA-N	533.694	4.432	10	40	KICB	
CCOC(=O)COc1c(I)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OCC	408903218	VWXBHKPEAMCFLV-WOJGMQOQSA-N	534.350	4.438	10	40	KICB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(C)n(-c5ccccc5)c4C)c(=O)n32)cc1OCC	408936725	PQZAOHUUHPHPTQ-GSJFZTJBSA-N	557.672	4.223	10	40	KICB	
O=C1NC(=O)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1	408940609	OHQREJUZDBYSAB-DEDYPNTBSA-N	521.323	4.393	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc(I)c1OCc1cccc(F)c1	408944697	USAUPRNSVNBUOK-VXLYETTFSA-N	616.339	4.383	10	40	KICB	
COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1	409005795	WCDCULNYWAJENS-MFKUBSTISA-N	527.577	4.024	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	409023241	VWKRYZGRKBOZIO-ITNPZBTBSA-N	600.741	4.289	10	40	KICB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1cccc(C(=O)O)c1	409405102	GILNIXWCDTUJPQ-ODLFYWEKSA-N	523.339	4.196	10	40	KICB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCCOc1ccccc1	13809921	RVIHCYPBBOOAFP-ZHZULCJRSA-N	509.356	4.377	10	40	KICB	
O=C1C[C@H](c2cc(Cl)c3c(c2)OCO3)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1	96222165	WNWNCYFHHCFZIW-LLVKDONJSA-N	510.838	4.106	10	40	KICB	biogenic
Cc1ccc(S(=O)(=O)Oc2cccc(/C=C3/C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)c2)cc1	97959462	IKUDHYXWEUEPDJ-ZKNSXIRRSA-N	532.603	4.461	10	40	KICB	
Cc1ccccc1[C@@H]1OC2(C(=O)c3ccccc3C2=O)[C@H]2C(=O)N(c3ccccc3Br)C(=O)[C@@H]21	102668296	FAFWLOVVHCVDRI-BDTNDASRSA-N	516.347	4.453	10	40	KICB	
C[C@@H](OC(=O)c1ccccc1NS(=O)(=O)c1cccc(N)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	102925333	QPTMTMRZFGMBLV-QGZVFWFLSA-N	569.595	4.029	10	40	KICB	
CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCc4cccc(C(=O)O)c4)c(OC)c3)C(=O)NC2=S)c1	103794531	ZBAJKNQPGOGYLZ-LPYMAVHISA-N	532.574	4.202	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(C(=O)O)cc1	408759702	KAIWDMWXZRDTMA-XKZIYDEJSA-N	500.507	4.256	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)cc4C)c(Cl)c3)C2=O)cc1	409255110	KLLANRVRAHAIEW-BKUYFWCQSA-N	561.978	4.427	10	40	KICB	
COc1cc(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1cccc(C(=O)O)c1	409407153	LHYXSJQWZCKJAZ-NDENLUEZSA-N	523.339	4.196	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@@H]1c1ccc(OCC)cc1	8438303	JGICRTNOGMLNKF-PQRKSKNISA-N	599.709	4.391	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	100262602	WFEXIXVEPFOHAY-HRIDGTDGSA-N	615.708	4.311	10	40	KICB	
O=C(O[C@@H]1Cc2cc(O)c(O)cc2O[C@H]1c1cc(O)c(=O)c2c(O)c(O)cc([C@@H]3Oc4cc(O)cc(O)c4C[C@H]3OC(=O)c3cc(O)c(O)c(O)c3)c2c1)c1cc(O)c(O)c(O)c1	150339288	FSBSEOILEKZRTH-DCPMLFCISA-N	868.709	4.176	10	40	KICB	
O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	408817866	WMDKQCMEAJBILT-YBFXNURJSA-N	538.310	4.308	10	40	KICB	
CCCOc1c(I)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1OCC	408867425	KSAFJCNCJXUYPE-WJDWOHSUSA-N	536.391	4.310	10	40	KICB	
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1	408948332	FNNYNKAVUNUDHY-GIJQJNRQSA-N	613.320	4.174	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)C2=O)cc1	409077817	GGDPYTXZJMVVGT-XDHOZWIPSA-N	548.464	4.369	10	40	KICB	
COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)SC2=S)cc1Cl	409204686	JJSSVSPCPKYAMY-MTJSOVHGSA-N	535.043	4.001	10	40	KICB	
COC(=O)COc1cc(Br)c(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1OC	409330679	LXBKYQTUBXQHHX-CAOOACKPSA-N	571.858	4.209	10	40	KICB	
COc1cc([C@@H](CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c2oc(C)cc(=O)c2O)ccc1O	604403941	FHTHPOSCQDDYRK-JWQCQUIFSA-N	549.668	4.299	10	40	KICB	biogenic
CCOc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]23)cc1	100617309	FKKUCVYRYMGKQI-RJGXRXQPSA-N	501.922	4.434	10	40	KICB	
CN1C(=O)[C@@]2(c3cc(Cl)ccc31)N(C)C[C@H](c1cccnc1)[C@@]21SC(=S)N(Cc2ccco2)C1=O	101392205	LEIKQNQFTZYFCU-WVQWTBLQSA-N	525.055	4.028	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)C)c(OCC)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	408924019	PSUWHUROJGPILW-CMISJSSVSA-N	549.693	4.050	10	40	KICB	
COc1ccc(N2CCN(C(=O)CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1	409057355	KXWTWNVWGALISU-UHFFFAOYSA-N	528.074	4.197	10	40	KICB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1	409068905	UMHASRSRVQYSGF-DEDYPNTBSA-N	521.323	4.393	10	40	KICB	
COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3nnc(CC(C)C)s3)C2=O)cc1	8819575	PJMMQVAOKATJHK-VBKFSLOCSA-N	504.659	4.143	10	40	KICB	
O=C(NC1CCCC1)[C@@H](c1ccc(N2CCOCC2)cc1)N(C(=O)c1ccco1)c1ccc2c(c1)OCCO2	13025111	ZLFNEGJPZAIFDV-MUUNZHRXSA-N	531.609	4.334	10	40	KICB	
Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccccc4Br)C(=O)[C@H]23)cc1	101099781	OOANICOMFJQBMH-BHDDXSALSA-N	516.347	4.453	10	40	KICB	
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(I)c1OCc1cccc(F)c1	103857128	QVDNURRIKHCUEH-UHFFFAOYSA-N	554.381	4.007	10	40	KICB	
COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCOCC3)cc2)c2ccc(C)cc2)cc1Br	113625644	WQANDZXRZAZUPE-UHFFFAOYSA-N	588.524	4.114	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	408980899	GISXUQUXESQKDC-JBDHCHCMSA-N	555.656	4.243	10	40	KICB	
COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(Oc4ncccc4[N+](=O)[O-])c(OC)c3)SC2=S)cc1	409349437	PWDWCLAHVCFVAD-MOSHPQCFSA-N	538.563	4.346	10	40	KICB	
CCCOc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1OCC	409360509	PWYKQNIBTLPSFU-GZTJUZNOSA-N	503.349	4.312	10	40	KICB	
O=C(COc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccc(F)cc1	409365662	VODLELSFZKLZIF-JAIQZWGSSA-N	538.875	4.071	10	40	KICB	
CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCS(=O)(=O)O)C2=O)c1	9470675	TYUBAKWMSRXSDY-ZHZULCJRSA-N	515.638	4.027	10	40	KICB	
COc1ccc(N2CCN(C(=O)CCc3nc4sc5c(c4c(=O)[nH]3)CC[C@@H](C(C)(C)C)C5)CC2)cc1	21882623	CXQRLZJXEOPPLU-GOSISDBHSA-N	508.688	4.426	10	40	KICB	
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(I)c1OCc1ccc(F)cc1	103857132	QBWMAWCQORRPHD-UHFFFAOYSA-N	554.381	4.007	10	40	KICB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1	408797653	GUUXQMRGHKGHHM-OEAKJJBVSA-N	501.495	4.411	10	40	KICB	
CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCCC5)cc4C)c(=O)n32)cc1	409062198	PMMPOJNPNYABEW-FHMSYZJOSA-N	545.705	4.494	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1	409069746	WCYNDHIUZZYCFU-DJKKODMXSA-N	551.895	4.200	10	40	KICB	
O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1	409074627	UFYCCNJMJMZGCS-UDWIEESQSA-N	566.320	4.301	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1	409263867	NAXXAXAIIDXGTR-LFVJCYFKSA-N	513.550	4.386	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1	409336632	UAGPNAUEUTXYKB-SUAMDDGLSA-N	572.643	4.341	10	40	KICB	
CCCOc1ccc(N2CCCC2)cc1C(=O)N1CCN(C)CCCN(C(=O)COC)c2ccccc2C1	643555059	SGNMJCCKWWHDLX-UHFFFAOYSA-N	522.690	4.033	10	40	KICB	
O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1cc(Br)c(N2CCCC2)o1	103866420	SUZYUZBKPNTBOX-NTEUORMPSA-N	525.222	4.236	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)ccc1OC(=O)c1ccco1	408533050	JEQUVACRXOVPPT-SFQUDFHCSA-N	572.311	4.169	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1Cc1ccccc1Br	408871043	VJFGLFIMWAOGDB-UDWIEESQSA-N	507.340	4.421	10	40	KICB	
O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	409195118	TYGSWKGJHAZQBT-YBEGLDIGSA-N	542.323	4.147	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	409374240	ZJEZHVBLQCRLNY-GIJQJNRQSA-N	556.325	4.200	10	40	KICB	
COc1ccc(N2CCN(C(=O)c3ccc(Cl)c(S(=O)(=O)Nc4ccccc4C)c3)CC2)cc1	409412425	WQOISSRVSRSVPO-UHFFFAOYSA-N	500.020	4.420	10	40	KICB	
O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\c1ccc(OS(=O)(=O)c2ccccc2)cc1	2072239	KKDYFBIRUPAIFP-CLCOLTQESA-N	505.621	4.247	10	40	KICB	
Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCc2ccccc2)c2ccc(N(C)C)cc2)cc1C	6280328	XHTFSUKRXRTJMN-SANMLTNESA-N	556.692	4.212	10	40	KICB	
COc1ccc(N2CCN([C@H](c3cc4c(C)ccc(C)c4[nH]c3=O)c3nnnn3C3CCCC3)CC2)cc1	19940854	CLDRIMMEWWJRQM-HHHXNRCGSA-N	513.646	4.167	10	40	KICB	
CCc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@H]23)cc1	100127522	IPVRXYPKVIERMQ-KMDXXIMOSA-N	510.502	4.161	10	40	KICB	
C[C@H]1Cc2cc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)ccc2O1	100897614	IKDALLQSFLPWAU-QKVAYCKHSA-N	537.688	4.251	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	105499664	MVRNHBSHZFZHEM-HDFSHUSISA-N	598.681	4.352	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1cccs1	408724633	ANFNLBSIXQXFJH-XPCGLTFESA-N	548.646	4.176	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1	408729584	HCKMTLAGRFHKJV-LMSRTUJASA-N	558.616	4.033	10	40	KICB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1cccc(Br)c1	408953868	QFKLNWSTVPCCIQ-DJKKODMXSA-N	508.328	4.252	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(NC[C@H](O)c3ccccc3)nc12	97947414	UPHAYWDQYDSTEP-JWRUUXOFSA-N	572.668	4.279	10	40	KICB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C2/C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1	408529767	DCYZMGMXRMXVBL-MRXDUGRNSA-N	539.382	4.327	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1OCc1ccc(C(=O)O)cc1	408694749	MFEYSSGELBFPGG-YBFXNURJSA-N	604.397	4.372	10	40	KICB	
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)c(N2CCCC2)o1	408854539	HUUQQUFJBNOWGO-NTEUORMPSA-N	509.154	4.071	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	408902817	LQAKQTXNCYWVTJ-VXLYETTFSA-N	586.345	4.420	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c(Br)cc1OCc1ccccc1Cl	408918830	POANBVILYWOSIW-RIYZIHGNSA-N	509.809	4.337	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(Cl)c3)C2=O)cc1	409076509	BBFQPDMOIBJLMI-LICLKQGHSA-N	566.866	4.402	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(F)cc4)c(Br)c3)C2=O)cc1	409363284	LHDUKULLKYFKPI-UDWIEESQSA-N	568.355	4.281	10	40	KICB	
O=C(COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O)Nc1ccccc1F	409379740	YZGCGYYXUDGAEH-LDADJPATSA-N	556.319	4.411	10	40	KICB	
O=C(COC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)Nc1cc(Cl)ccc1Cl	3272913	CORSDGSRFDAWIN-UHFFFAOYSA-N	501.369	4.357	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	408885851	FYAMKCQCMGYWBM-XQNSMLJCSA-N	534.590	4.390	10	40	KICB	
CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccccc2)S1	409083636	VRZSIKHHSCEKMT-OVCLIPMQSA-N	560.245	4.086	10	40	KICB	
CCN(CC)CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C\c3ccc(OC)cc3)SC2=S)cc1	11612127	LMTAMTNGZWOXJF-CJLVFECKSA-N	527.668	4.034	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3ccccc3)C2=O)cc1	408800320	LXNFZHGIZQNHAQ-HZHRSRAPSA-N	500.507	4.117	10	40	KICB	
COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(OC)cc4)C3=O)c2C)c(C)c1	409017261	FMQRRLHFANXKJL-HYARGMPZSA-N	503.580	4.029	10	40	KICB	
COc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCCC5)cc4C)c(=O)n32)c1	409051691	BGUOCZLCWTWNSG-DBXPASCUSA-N	531.678	4.104	10	40	KICB	
COC(=O)c1cccc(-n2c(C)cc(/C=c3/sc4n(c3=O)[C@H](c3ccc(OC)cc3)C(C(=O)OC(C)C)=C(C)N=4)c2C)c1	409333979	GLJJJBADWQLAQI-NULZLWRNSA-N	599.709	4.390	10	40	KICB	
O=C(NCc1ccccc1)[C@H](c1ccc(N2CCOCC2)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCCO2	6446257	XFUMSPGNZUBUKF-UMSFTDKQSA-N	618.694	4.130	10	40	KICB	
CN1C(=O)C(=Cc2cn(CCOc3ccccc3F)c3ccc(Br)cc23)C(=O)N(C)C1=S	59087223	JFUDKDUHXVFVMD-UHFFFAOYSA-N	516.392	4.221	10	40	KICB	
O=C1[C@H]2[C@@H](C(=O)N1c1ccc(F)cc1)[C@@H](c1ccc(Br)cc1)OC21C(=O)c2ccccc2C1=O	101130360	OICVASDHEJUTFN-NJDAHSKKSA-N	520.310	4.283	10	40	KICB	
CCc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\Nc2ccc(I)cc2)C1=O	408533184	OEZSLPYWRVUXRG-XNTDXEJSSA-N	540.155	4.195	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c(Br)cc1OCc1ccc(Br)cc1	408915801	ZAPYRPFSILIRGL-OVCLIPMQSA-N	554.260	4.446	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCC(=O)Nc3cccc(C)c3)C2=O)cc1	409046723	LLSJFGYHNSNNDU-HYARGMPZSA-N	592.402	4.228	10	40	KICB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c(C)n1-c1ccccc1Br	409191762	MOFAMLVYBGVUOS-LDADJPATSA-N	524.396	4.386	10	40	KICB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1	409244783	IQUXSUTYHHMDDV-CIAFOILYSA-N	545.042	4.070	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C	409265059	MLOJKYHYAPRBAQ-MOSHPQCFSA-N	519.941	4.341	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1cccc(F)c1	409371773	HNLZGVACBDJSOJ-GIJQJNRQSA-N	529.318	4.431	10	40	KICB	
CC[C@@H](C)N1C(=O)/C(=C/c2c(N3CCN(c4ccccc4F)CC3)nc3ccc(C)cn3c2=O)SC1=S	2367871	CQWNMVTZCRHLSH-OSVNEOKWSA-N	537.686	4.468	10	40	KICB	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)c3)c2C)cc1	3348276	LYODFRDURSVJGW-NHCUHLMSSA-N	524.639	4.240	10	40	KICB	
O=[N+]([O-])c1cc([C@@H](Nc2ccccn2)n2nnc3ccccc32)ccc1N1CCN(Cc2ccc3c(c2)OCO3)CC1	103763772	FODWBRRZSDUVCL-PMERELPUSA-N	564.606	4.444	10	40	KICB	
O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)N1CCN(C(=O)CCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)CC1	150455135	XIINIJDSAGKGIZ-WVZLMVLXSA-N	738.891	4.088	10	40	KICB	
CCOc1cccc(N2C(=O)/C(=C/c3cc(Br)c(OCC)c(OC)c3)C(=O)NC2=S)c1	408741193	OIUDIZBMFMIZJO-CXUHLZMHSA-N	505.390	4.086	10	40	KICB	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C(=O)O)cc4)c(OC)c3)C2=O)c1	408846105	OTOYLZNPDYZDLR-HYARGMPZSA-N	560.559	4.436	10	40	KICB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCC(=O)O)c(I)c1	408901832	HPVPEEAPMHBXTD-VGOFMYFVSA-N	541.139	4.323	10	40	KICB	
O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cc([N+](=O)[O-])ccc3O)[C@H]2C(=O)N1c1ccc(Br)cc1	13748345	SEKXHFOHRWWZLY-NJDAHSKKSA-N	510.300	4.114	10	40	KICB	
Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1	14128867	KLFWZSXZXQPHKD-UHFFFAOYSA-N	510.502	4.441	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(=O)c4ccc(OC)cc4)cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	105499747	LTTWGRCGFKVBBO-ZIRCPPMYSA-N	597.693	4.092	10	40	KICB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(OC)c(OCC)c3)C2=O)cc1	408899617	PMARXMCEHCSAIK-BOPFTXTBSA-N	503.349	4.312	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCC(=O)O	409048618	STAGXHCVYVGYFK-RGVLZGJSSA-N	628.375	4.009	10	40	KICB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409086585	FLOADYNJYXUWGO-UHFFFAOYSA-N	546.277	4.091	10	40	KICB	
COc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4cc(Cl)ccc4C)C3=O)cc2OC)cc1	409380845	BFAZHDDEFQKUAS-CIAFOILYSA-N	549.967	4.350	10	40	KICB	
Cc1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccc(S(=O)(=O)Nc5nccs5)cc4)o3)C2=O)cc1C	8442295	MILUXFDUQBIKFC-STZFKDTASA-N	520.592	4.282	10	40	KICB	
Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccccc4I)C(=O)[C@@H]32)cc1	101099821	PGYGLHBMMKFPSD-BDTNDASRSA-N	563.347	4.295	10	40	KICB	
O=C1[C@@H]2[C@@H](c3ccccc3O)N[C@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@H]2C(=O)N1c1ccc(Br)cc1	102782400	YHCPPBZNPZUVIH-KVOKEACQSA-N	560.404	4.152	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccccc1OC(C)C	408836847	WFKCDYUIMQKEKE-XQNWCSQWSA-N	563.720	4.440	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)ccc1OCc1cccc(C(=O)O)c1	408852224	DSENUEXSWVZGRW-FYJGNVAPSA-N	516.575	4.421	10	40	KICB	
COC(=O)COc1cc(Br)c(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1OC	409349601	VRXPNLYRLSXXCM-NVMNQCDNSA-N	508.415	4.411	10	40	KICB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N(C)C)cc3OCc3ccc(Cl)cc3)C2=O)o1	409399762	LNZVBVBFYLMCCB-MTJSOVHGSA-N	509.946	4.458	10	40	KICB	
COc1cc(Br)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)Nc1ccccc1F	409404867	FECRWEZWICEGKK-LDADJPATSA-N	540.345	4.076	10	40	KICB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	409406177	JPJGKCWXPFMCAU-NDENLUEZSA-N	536.382	4.245	10	40	KICB	
Cc1cc(C(=O)COC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)c(C)n1-c1ccc2c(c1)OCO2	2636442	JOKBFDOWISNARC-UHFFFAOYSA-N	546.601	4.341	10	40	KICB	
CCCOC(=O)c1ccc(N/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)cc1	408537102	ZDGHILUCOARBQC-SFQUDFHCSA-N	500.349	4.212	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	408538235	ZKXFBTMHBMBHFP-FYJGNVAPSA-N	576.558	4.005	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OC(C)C	408818189	XCQCZOGNDUGBAB-LICLKQGHSA-N	534.350	4.452	10	40	KICB	
COC(=O)COc1c(I)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OC	408901219	CELXVOVGJSCLFF-MHWRWJLKSA-N	541.388	4.257	10	40	KICB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C3\C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2Cl)cc1	409046417	KNDQFVPWCVMRGQ-VCHYOVAHSA-N	547.372	4.442	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4sc5c(c4C(=O)O)CCCC5)c3C)C2=O)cc1	409385576	LLSMIYQZZSEDBL-DEDYPNTBSA-N	519.579	4.408	10	40	KICB	
COc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)cc1	6088752	SNOSXGOBJICICZ-XMHGGMMESA-N	560.704	4.183	10	40	KICB	
Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCC(C)C)c2ccc(N(C)C)cc2)c1C	6442788	KHKQKWYSRMGKMD-DEOSSOPVSA-N	536.702	4.057	10	40	KICB	
COc1ccc(N2CCN([C@H](c3ccc4ncccc4c3)c3nnnn3CCc3ccccc3)CC2)cc1	13511898	LODMJJMLIPVOLD-GDLZYMKVSA-N	505.626	4.384	10	40	KICB	
COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)NC2CCCCC2)cc1	408772626	DRSPBPHDWGMSNS-XHPQRKPJSA-N	502.611	4.430	10	40	KICB	
CCOc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c1	408866947	HPMXOVCCNKJSLC-OQLLNIDSSA-N	510.715	4.318	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1	408902019	DQXLQGDMHUULJO-YBFXNURJSA-N	568.355	4.281	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1	409056582	MUUGVMAPYXOFAH-UDWIEESQSA-N	609.389	4.440	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	2992284	AUXCSMFMBXTIAG-BIWBSIMWSA-N	572.643	4.341	10	40	KICB	
Cc1ccc(CN2C(=O)[C@H]3[C@H](c4ccc(I)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	97944192	RKMGYIRQIVYSRR-VJBWXMMDSA-N	577.374	4.290	10	40	KICB	
COC(=O)C[C@H](c1cccc(Br)c1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	97971976	RXQLQIBQSKJXCV-CQSZACIVSA-N	543.322	4.446	10	40	KICB	biogenic
CCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccc(Cl)cc2)OC32C(=O)c3ccccc3C2=O)cc1	101113829	NNNJDCFIWIEAGO-DNVJHFABSA-N	501.922	4.434	10	40	KICB	
COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1	409013208	MGRYWOZUZFSLRK-OEAKJJBVSA-N	526.998	4.284	10	40	KICB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)C(=O)N(c3ccccc3)C2=S)cc1C	409015094	YOJXOYHSIVPEGK-ZXVVBBHZSA-N	555.656	4.289	10	40	KICB	
COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1OCc1ccc(C(=O)O)cc1	409185436	YXFKAJCACJYAON-DEDYPNTBSA-N	506.898	4.292	10	40	KICB	
COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4Cl)C3=O)c2C)c([N+](=O)[O-])c1	409236866	HQFLONYEUGOHQP-GZTJUZNOSA-N	510.959	4.496	10	40	KICB	
CN(C)c1ccc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc1Br	409275198	ZLQBWAPXBSIPEH-NDENLUEZSA-N	500.418	4.136	10	40	KICB	
O=C(NCc1ccccc1)[C@@H](c1ccc(N2CCOCC2)cc1)N(C(=O)Cn1nnc2ccccc21)c1cccc(F)c1	906322	VWWAUVBKRBWSLR-JGCGQSQUSA-N	578.648	4.498	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	111493223	VGQBZFRQIMBYIW-PYCBVSLESA-N	629.735	4.400	10	40	KICB	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(C)cc3)c3cc(C)ccc3O2)cc1	222738769	IZBSHNIVVDIGMI-MHZLTWQESA-N	507.656	4.422	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)c(Br)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	408718861	PBTNQMODYIBBRI-WLJFKGHSSA-N	635.378	4.398	10	40	KICB	
COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NCc2ccccc2)cc1	408784328	QKNGTBYPFUQHQV-USHMODERSA-N	540.616	4.306	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	408886110	DKBVFXDUEUXNHN-CPNJWEJPSA-N	540.981	4.400	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1	409081367	NVHUAMDMFVCZHP-GVMLUORFSA-N	614.562	4.424	10	40	KICB	
COc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)O	409370592	BJQZUFPBOFOJOF-FRKPEAEDSA-N	528.395	4.403	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCC(=O)Nc3ccccc3OC)C2=O)cc1	409384288	CNCSCOQNYTVPAN-XSFVSMFZSA-N	580.391	4.150	10	40	KICB	
COc1ccc(S(=O)(=O)c2c(C)c(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc(C(C)C)c2O)cc1	26786840	DRFAUAGBHKBPRA-UHFFFAOYSA-N	520.585	4.374	10	40	KICB	
CCN1/C(=c2/s/c(=C3/C(=O)N(c4ccccc4)N=C3Nc3ccccc3)n(CC)c2=O)Sc2ccc(OC)cc21	100087620	SAFMSMPLAAEAMO-STJQTKKMSA-N	569.712	4.259	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	103844429	IHFNYTWECITENW-DJKKODMXSA-N	581.940	4.290	10	40	KICB	
COC(=O)C[C@@H](c1cc2ccc(OC)cc2n(C)c1=O)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12	108448088	TYCOEQFOQHAEHX-SFHVURJKSA-N	543.528	4.132	10	40	KICB	biogenic
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	150398431	HCVARBMPIHITMG-FOOGSPQISA-N	632.536	4.493	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1Cc1cccc(F)c1	408866119	FVHYTIQRZPCZBG-RGVLZGJSSA-N	572.330	4.402	10	40	KICB	
O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1cc(Br)c(Br)o1	408949300	ARKGHRCQLKFXMF-BJMVGYQFSA-N	518.943	4.234	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	408985544	NJYSXDPLZLGTEU-HRIDGTDGSA-N	615.708	4.010	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409042088	XMKMNTFQHWGCMP-OXDPQRGISA-N	629.735	4.156	10	40	KICB	
Cc1cccnc1-n1c(C)cc(CN2CCC3(CCCCNC(=O)c4ccccc4OCCNC3=O)CC2)c1C	643566903	ZCDCOLZTXMIOGD-UHFFFAOYSA-N	543.712	4.489	10	40	KICB	
COc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCCCC5)cc4)c(=O)n32)c1	3772010	GJSDFJNWOSAYFV-CMISJSSVSA-N	531.678	4.186	10	40	KICB	
O=C1/C(=C/c2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc2c(c1)OCO2	29747552	GEOKHSCHUUMNRL-ONUIUJJFSA-N	597.722	4.147	10	40	KICB	
CCCCCCN1C(=O)/C(=C/c2c(N3CCN(C(=O)OCC)CC3)nc3c(C)cccn3c2=O)SC1=S	100863828	RCKYNSJICFJMJQ-JZJYNLBNSA-N	543.715	4.063	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1F	409375138	GDZNEVIGTVVHGO-PDGQHHTCSA-N	523.904	4.172	10	40	KICB	
COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12	1315986	LJXNRCKOTYLNFS-QPPCPWFDSA-N	509.518	4.166	10	40	KICB	
O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC(=S)N1CCS(=O)(=O)O	26967571	VFKFCXZLDLEWAH-PDGQHHTCSA-N	506.030	4.282	10	40	KICB	
COc1cccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c1	27533796	VMPZCJIFBZKPIN-OSZNWEDFSA-N	509.544	4.336	10	40	KICB	
Cc1ccc(OCCCOc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2Cl)cc1	101394845	DZOPAQFHCQTMFN-NWSLSDTJSA-N	533.031	4.118	10	40	KICB	
COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCc1ccc(Br)cc1Br	408779397	WDQDCRQLVIRGPS-UHFFFAOYSA-N	538.192	4.233	10	40	KICB	
CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cc(OCC)ccc3OCC)C2=O)cc1OCC	408856593	QMOBZIPTMROQIZ-WOJGMQOQSA-N	605.438	4.254	10	40	KICB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	409098013	IBXWVTYCNATFFN-KDSDTBODSA-N	580.110	4.265	10	40	KICB	
CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc(Br)c1O	409347447	PXIHROUDTYZLNA-MHWRWJLKSA-N	509.403	4.108	10	40	KICB	
COc1ccc(NC(=O)COc2cccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)c2)cc1	409381035	RBVKSIRJHZYXAE-LPYMAVHISA-N	519.941	4.341	10	40	KICB	
O=C(COc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1F	409382865	WSARTKMUFVGQDK-PDGQHHTCSA-N	538.875	4.071	10	40	KICB	
CCc1ccc2c(c1)[C@]1(C(=O)N2)N(C)C[C@@H](c2cccc([N+](=O)[O-])c2)[C@@]12SC(=S)N(Cc1ccco1)C2=O	98007441	BNLSNCSCPDAPFO-KWTBFXGESA-N	548.646	4.426	10	40	KICB	
COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H](c3cccc(C)c3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C1=O	101489777	OYLSGWYWXMSVDU-YTFSRNRJSA-N	501.922	4.352	10	40	KICB	
CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/N2N=C(c3ccc4c(c3)CCCC4)C[C@H]2C(=O)O)SC1=S	256055426	GRLOAGFSCSIPFH-JWDVYVEYSA-N	563.701	4.305	10	40	KICB	
Cc1c(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccccc1	408849122	VJJXMBHONTVAPU-WOJGMQOQSA-N	508.328	4.252	10	40	KICB	
Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1	408886299	FYWPGMHJABPUOA-XSFVSMFZSA-N	541.379	4.192	10	40	KICB	
CN1CCCc2cc(CNC(=O)CN3CCC4(CCCCc5ccccc5OCCCNC4=O)CC3)ccc21	643558161	FKVDKCPNEUYRNU-UHFFFAOYSA-N	532.729	4.079	10	40	KICB	
CCN1C(=O)/C(=C\c2cn(CC(=O)N3[C@@H](C)CCC[C@@H]3C)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21	8778042	RNAQMGLCSPQXPB-OIEGBCRQSA-N	590.746	4.359	10	40	KICB	
CCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O	13595674	JBDQFJFXHIVCSX-NDENLUEZSA-N	508.625	4.345	10	40	KICB	
COC(=O)C[C@@H](c1cc(OC)c2c(c1)OCCO2)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12	96220847	WLUIPSIQPSRYFY-INIZCTEOSA-N	520.490	4.052	10	40	KICB	biogenic
O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)c(O)c(I)c1	100454622	NAGCDYBCZFUMGG-VZUCSPMQSA-N	608.049	4.353	10	40	KICB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(I)c1OCc1ccc(Cl)cc1Cl	103760684	QNEXOAKXJKVUPL-UHFFFAOYSA-N	563.200	4.100	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1cccc(C(=O)O)c1	408859533	XVPDCRHHHWYOMN-RGVLZGJSSA-N	506.898	4.292	10	40	KICB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(s/c(=C/c3ccc(N4CCCC4)c(C)c3)c2=O)=N1	409051114	ADAIPEDKHCSDDX-UQDCTOEPSA-N	559.688	4.216	10	40	KICB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)o1	15985758	FIHXOZCALBDGQK-FBHDLOMBSA-N	506.492	4.357	10	40	KICB	
C[C@H]1CN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)C[C@@H](C)O1	16734207	DMILYCJQXMSZDS-LCZANJLKSA-N	506.653	4.271	10	40	KICB	
C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N(C)C3=O)c2)C[C@H](C)O1	97947322	HWPPJWYZIJNTIA-GNASCUAASA-N	554.719	4.168	10	40	KICB	
CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1I	103860336	ZHUMLBWBXSVNNF-NTEUORMPSA-N	557.207	4.284	10	40	KICB	
COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(=O)OC)c1C	223743159	OPAJZOLOEKLOIJ-LOSJGSFVSA-N	506.628	4.201	10	40	KICB	
COC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OC	408849194	YGODFSIVICATLR-IZZDOVSWSA-N	529.785	4.039	10	40	KICB	
O=C(Cn1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c2ccccc21)N1CCOCC1	408962806	VJFLBXLXGBPYRJ-UHFFFAOYSA-N	550.640	4.248	10	40	KICB	
COc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCCC5)cc4C)c(=O)n32)c1	409051682	BGUOCZLCWTWNSG-CMISJSSVSA-N	531.678	4.104	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C	409255048	GVQUGVQKMIQELI-BKUYFWCQSA-N	514.625	4.396	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1ccccc1F	409372416	KTCALKIQMQTKBR-RQZCQDPDSA-N	529.318	4.431	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3Cl)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	6354133	HVJDHYFGRAXMSQ-PZDOZLBDSA-N	516.450	4.171	10	40	KICB	
COc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4Br)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	18140338	NPKNPXIUMNKCIR-FDFHNCONSA-N	532.346	4.153	10	40	KICB	
CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cc(OC)c(Cl)cc2OC)C1=O	408827884	VGFFXFGCCGQXNK-MDWZMJQESA-N	509.740	4.185	10	40	KICB	
COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1	409008881	ONFCURPWIFOLEF-LPYMAVHISA-N	530.961	4.428	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@H]1c1cccs1	409023295	WWNPSXYNTOKXRH-MKWGYRPRSA-N	546.718	4.333	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1	409048267	SDHJOTQBPJCEKP-LPYMAVHISA-N	683.455	4.469	10	40	KICB	
CCOc1c(I)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1OC	409234728	XTVFBYZYRRTBLT-WQLSENKSSA-N	542.782	4.183	10	40	KICB	
COc1cc(/C=C2\SC(=S)NC2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1	409243526	SCFCLKCOUIHCDY-MFOYZWKCSA-N	554.431	4.423	10	40	KICB	
O=C1N=C(N2CCN(c3ccccc3[N+](=O)[O-])CC2)S/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1	102457706	IZUVRFAGYIOKEJ-HKOYGPOVSA-N	550.618	4.155	10	40	KICB	
CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1Br	408858168	XGLMGEOPLNBGII-LZYBPNLTSA-N	535.778	4.328	10	40	KICB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2Br)cc1	408935737	DOJLHQCNLHLIPV-XDHOZWIPSA-N	586.376	4.100	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(Br)o3)C2=O)c(OCC)c1	408951650	JLXRMXGHECGKNW-KPKJPENVSA-N	528.153	4.268	10	40	KICB	
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(Br)c1	408952308	NDNZPGGITVQARG-VCHYOVAHSA-N	521.323	4.423	10	40	KICB	
CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc1Cl	409332965	STTGCVPMUJAFOC-YVLHZVERSA-N	541.434	4.490	10	40	KICB	
CC[C@H](C)N1C(=O)/C(=C/c2c(N3CCN(c4ccc(F)cc4)CC3)nc3c(C)cccn3c2=O)SC1=S	2254268	SLLRVAWQRYIOLL-PSRBBBRCSA-N	537.686	4.468	10	40	KICB	
O=C(/C=C/c1cc(O)c2oc(-c3ccc(O)c(O)c3)c(C(=O)O[C@H](Cc3ccc(O)c(O)c3)C(=O)O)c2c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O	77269479	KROVXXIIXUFKOO-NGJWAYPNSA-N	716.604	4.144	10	40	KICB	biogenic,in-vitro
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(N(C)C)cc1	163723376	CQOKVFNKSPNKLU-FUFNRSNVSA-N	629.651	4.473	10	40	KICB	
O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(I)c1	408692397	LPUWHNXDQSDGSA-LDADJPATSA-N	516.335	4.275	10	40	KICB	
Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(C4CCCC4)C3=O)cc2Br)cc1	408695781	ZFWGMHPORUCKNZ-XDHOZWIPSA-N	526.387	4.179	10	40	KICB	
CCCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OCC)cc3)C2=O)cc1OCC	408803774	AIIWYXYACDJEBD-LDADJPATSA-N	592.386	4.322	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1	408844467	JFEVLKXSZGAHSZ-CIAFOILYSA-N	501.495	4.466	10	40	KICB	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(OC)cc3)c3cc(Cl)ccc3O2)cc1	222746840	GDVKVTNSCYDXCS-SANMLTNESA-N	544.073	4.468	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1	408859395	WVQKAJJEZCGTSB-HPFVHPJRSA-N	533.694	4.432	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCC(=O)Nc1cccc(F)c1	409408811	RQOYLEMSHCKQDD-JAIQZWGSSA-N	554.372	4.466	10	40	KICB	
CN1C(=O)[C@]2(c3cc(Cl)ccc31)N(C)C[C@H](c1ccncc1)[C@@]21SC(=S)N(Cc2ccccc2)C1=O	102899074	QTMRLSJUUPQGIV-AIGMYPEUSA-N	535.094	4.435	10	40	KICB	
CCOC(=O)Cc1csc(NC(=O)CSC2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)N2c2ccccc2)n1	103716129	ZSASRGUTSSZTHX-HYARGMPZSA-N	549.678	4.430	10	40	KICB	
Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@H]2[C@@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2	253388225	BYSRPHRKESMCPO-AZGGPWNBSA-N	864.765	4.242	10	40	KICB	endogenous,in-man
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	408896981	PKIJYKLMRFRYAX-JWGURIENSA-N	534.590	4.390	10	40	KICB	
O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)c(I)o1	408950451	FDSXXXRKIDFUAD-BJMVGYQFSA-N	582.011	4.241	10	40	KICB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4)cc3)C2=O)cc1OC	409260647	TZJXHIVHJURKLX-KQWNVCNZSA-N	529.549	4.168	10	40	KICB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2Br)C(=O)N2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1	100392530	MPKFPYYFFKYHDD-SZRYAJLDSA-N	561.480	4.094	10	40	KICB	biogenic,in-vitro
COc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)c2C)c1	103593359	WZXQIGRRYISNAI-DTNFBPRUSA-N	504.616	4.125	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1	408902371	HYVQUYOEHQQUPD-FYJGNVAPSA-N	564.392	4.450	10	40	KICB	
CCOC(=O)COc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC	408984935	UJYSXHTVKUHFHA-CHHVJCJISA-N	551.777	4.028	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)cc3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC	409058964	PWFDQVGQCLPREE-LWUPDDLQSA-N	538.069	4.061	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl	409253715	VAWVAKCXAPZVOO-UNOMPAQXSA-N	564.938	4.331	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1OC	409388777	WFOYSANQXMDIKQ-UNOMPAQXSA-N	610.417	4.246	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1ccccc1OCC	2193033	PJVGJTCTXLEGRP-DLBLZJNESA-N	570.509	4.026	10	40	KICB	
Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCC(C)C)c2ccc(N(C)C)cc2)cc1C	6280320	GSJWNFMIXRTRQB-DEOSSOPVSA-N	536.702	4.057	10	40	KICB	
CCCCCN1C(=O)/C(=C/c2c(N3CCN(c4ccc(OC)cc4)CC3)nc3ccccn3c2=O)SC1=S	97946828	NJFJJVGJZWLTLD-NMWGTECJSA-N	549.722	4.421	10	40	KICB	
CCOC(=O)c1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]23)cc1	100764664	RFWAFXINYQOYHJ-RJGXRXQPSA-N	529.932	4.212	10	40	KICB	
COC(=O)c1ccc(C(=O)OC)c(/N=N/[C@@H](C(C)=O)C(=O)Nc2ccc(NC(=O)[C@H](/N=N/c3cc(C(=O)OC)ccc3C(=O)OC)C(C)=O)cc2)c1	150345365	BZKXDIAAIOXKAH-WWALTMGASA-N	716.660	4.193	10	40	KICB	
COC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br	164446969	SJWGEAZSZCHKQU-AWNIVKPZSA-N	617.044	4.192	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1	408805280	FSRVWOWEMCXTSD-HYARGMPZSA-N	517.494	4.248	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1	409060104	SRVUCIWZRYYEGQ-LBKCIFGTSA-N	519.692	4.120	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1	409364366	PGRLUWYEHBNWOL-RGVLZGJSSA-N	537.931	4.480	10	40	KICB	
COc1ccc(N2CCN(C(=O)CN(c3cccc(C(F)(F)F)c3)S(=O)(=O)c3ccccc3)CC2)cc1	59889078	CFPXKPMVHHJVSX-UHFFFAOYSA-N	533.572	4.258	10	40	KICB	
CCC1=NN2C(=N)/C(=C/c3cc(I)c(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C(=O)N=C2S1	97959245	HZWGZPGNCZFSSM-WLNNWNTISA-N	610.455	4.405	10	40	KICB	
COc1cc(/C=C2/C(=O)N(C)C(=S)N=C2O)cc(I)c1OCc1ccccc1F	97960908	ULJBKCAEFSXCLX-NTUHNPAUSA-N	526.327	4.115	10	40	KICB	
CCOC(=O)c1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]23)cc1	100764669	RFWAFXINYQOYHJ-VABKMULXSA-N	529.932	4.212	10	40	KICB	
COc1ccc(N2CCN(C(=O)[C@@H](C)Nc3ccc4c(cc3=O)[C@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)CC2)cc1	252570422	WSQAMABLBJEJGH-LYZGTLIUSA-N	630.742	4.021	10	40	KICB	
COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)NCc2ccccc2)cc1	408783780	MTSPVADQOMGIHS-DIBXZPPDSA-N	510.590	4.297	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Br)c1OCc1ccc(Br)cc1	408913669	MVBQIRSMKGQTKW-OVCLIPMQSA-N	554.260	4.446	10	40	KICB	
CCCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)N3CCOCC3)c(OCC)c2)SC1=S	409253350	AZAYZLPECBSKPL-AQTBWJFISA-N	543.505	4.087	10	40	KICB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C/c2cccc(OCC(=O)Nc3ccccc3F)c2)C1=O	409389467	ZTDISMCWIXGCNX-AQTBWJFISA-N	507.905	4.471	10	40	KICB	
COc1ccc(N2CCOCC2)cc1C(=O)N1CCOCCOc2ccccc2Cc2cccc(c2)C1	643562127	FIGHNGBQCPVHBZ-UHFFFAOYSA-N	502.611	4.174	10	40	KICB	
COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1COc1ccc(NC(C)=O)cc1	13617411	IGVZVZVEXURQJH-HAHDFKILSA-N	501.564	4.064	10	40	KICB	
COc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)ccc1OCc1ccccc1F	97964826	DGJXJGOCBVTUKH-XKPYOKEHSA-N	530.603	4.061	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1ccc(C(=O)O)cc1	103849945	MOSOABRYQJDUBL-VXLYETTFSA-N	616.339	4.383	10	40	KICB	
CCN1C(=O)C(=Cc2ccc(OCc3ccc(C(=O)N4CCCCC4)cc3)c(OC)c2)C(=O)N(CC)C1=S	408544090	UPPSUKMNKCWSBA-UHFFFAOYSA-N	535.666	4.279	10	40	KICB	
O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1cc(Br)c(I)o1	408949324	AZRDYRWIGKTGRR-BJMVGYQFSA-N	582.011	4.241	10	40	KICB	
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2ccc(I)cc2)cc1	409000655	UROGWTDGMQNARG-RGVLZGJSSA-N	568.323	4.265	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1	409081372	NVHUAMDMFVCZHP-KMBIYUNPSA-N	614.562	4.424	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OCC(=O)Nc4ccc(C)c(Cl)c4)c3)C2=O)cc1	409251484	QSDCQKMXNGOOGB-LPYMAVHISA-N	519.941	4.341	10	40	KICB	
O=C(O)CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3)cc2)SC1=S	409267238	MRIAINJDBNMTMY-BOPFTXTBSA-N	521.414	4.143	10	40	KICB	
Cc1ccccc1NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Cl	409271950	WPGAHMUZIXSAFD-XDHOZWIPSA-N	507.905	4.471	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](c4ccc(Cl)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	100364789	YDZPDPIZVJQGAK-VJBWXMMDSA-N	529.932	4.212	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1	409049241	VUZHZSUVMQAHHR-RGVLZGJSSA-N	629.382	4.431	10	40	KICB	
O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccccc1OS(=O)(=O)c1ccccc1	409072077	AUIXQRPQBVDGDW-SFQUDFHCSA-N	517.346	4.428	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409361218	AZVSBEZUDREAFC-JMIUGGIZSA-N	582.928	4.470	10	40	KICB	
CN(C)CCCOc1cccc(C(=O)N2CCOc3ccc(N4CCOCC4)cc3Cc3cccc(c3)C(=O)N(C)CC2)c1	643568281	VJRSIPTZLJYSCI-UHFFFAOYSA-N	600.760	4.051	10	40	KICB	
Cc1ccc(OCCCn2cc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c3ccccc32)cc1	20206032	HTOHCDBKTNJXEE-NKFJNAIASA-N	521.624	4.040	10	40	KICB	
Cc1ccc(N2C(=O)[C@H]3[C@H](c4cccc(I)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	102902297	XQGYDRQSSLEJSU-FSSWDIPSSA-N	563.347	4.295	10	40	KICB	
Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)cc2Cl)cc1	103842313	OVVYWEJZTUUICL-VXLYETTFSA-N	533.924	4.061	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3OC)C2=O)ccc1OC(=O)c1ccc(C)cc1	408533567	KDSJYZQEUBXCHZ-HMMYKYKNSA-N	500.507	4.288	10	40	KICB	
Cc1cccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)cc2Cl)c1	409047035	MEJPMXBWLLXBJF-UDWIEESQSA-N	507.905	4.471	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br	409067032	IVJMZEKHVMENAP-XGLZOBASSA-N	626.573	4.487	10	40	KICB	
CCOc1cccc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)c1OCC(=O)O	409204776	JMKJUUOXMNIXCU-YVLHZVERSA-N	506.989	4.057	10	40	KICB	
CCCCN1C(=O)/C(=C/c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC1=S	26779616	MOXZLEVKIUIMKA-FXBPSFAMSA-N	523.659	4.162	10	40	KICB	
CN1C(=O)[C@]2(c3cc(Cl)ccc31)N(C)C[C@H](c1ccccn1)[C@@]21SC(=S)N(Cc2ccco2)C1=O	102899010	FJVPZIUKYZDSRG-YWWLGCSWSA-N	525.055	4.028	10	40	KICB	
CNCc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)[C@@](C)(OC=C[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)C=CC=C(C)C(=O)N2)O4	263606029	QKOQHNFJQIUIDQ-SRGIWPKXSA-N	740.847	4.474	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	408530658	FMOGTBGZKDXWML-CUIFKHMFSA-N	557.515	4.287	10	40	KICB	
O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccc(Cl)cc1Cl	408685260	LDCPCGYEUJEALQ-OPYAIIAOSA-N	501.366	4.038	10	40	KICB	
CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC	408740169	JCNDXJBAOXOUFQ-RIYZIHGNSA-N	524.165	4.285	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OCc1ccc(F)cc1	408811415	QYJGKSCJZQQGPF-HYARGMPZSA-N	518.497	4.256	10	40	KICB	
COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1OCC(=O)Nc1ccccc1	408897988	KDVYTSYTFYPZFI-XSFVSMFZSA-N	505.914	4.033	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	408991271	ZOXUIBHLFWKJPP-DBXPASCUSA-N	549.693	4.052	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(Cl)cc4)c(Br)c3)C2=O)cc1	409067265	OSCPJHICQFFUBT-XDHOZWIPSA-N	619.833	4.323	10	40	KICB	
CCCN1C(=O)/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)NC1=S	409089149	LYRCJDHYTWTELC-YVLHZVERSA-N	506.378	4.413	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl	409271576	VEDDLRFAAGGNRV-RGEXLXHISA-N	519.941	4.423	10	40	KICB	
O=C(NCc1ccccc1)[C@@H](c1ccc(N2CCOCC2)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(F)cc1	922672	PWPAAJOEOYAVPE-JGCGQSQUSA-N	578.648	4.498	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccccc1	6226536	NWGRYSIRFIJAJY-MKWGYRPRSA-N	542.617	4.114	10	40	KICB	
COc1ccc([C@H]2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)c(OC)c1OC	96114400	WDQVONXNYRWPGM-CQSZACIVSA-N	506.463	4.044	10	40	KICB	biogenic
CN1CCN(c2cc3[nH]c(O)nc3cc2N/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)CC1	408526735	CGWVSUFGMHDREJ-HKOYGPOVSA-N	595.704	4.067	10	40	KICB	
CCn1c(=O)n(CC)c2cc([N+](=O)[O-])c(N/C=C3\C(=O)N(c4ccc(I)cc4)N=C3C)cc21	408531447	OCPFKBNUEGNSCG-VBKFSLOCSA-N	560.352	4.074	10	40	KICB	
O=C(COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1)Nc1ccc(Cl)c(Cl)c1	408552082	HDSLIYLZTXVRSK-ODLFYWEKSA-N	526.332	4.383	10	40	KICB	
COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)o2)c(C)c1	408902536	JHLPJQJBPVRLSA-XDHOZWIPSA-N	509.312	4.471	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1	409259172	WZDZTQULSLEBLA-QRVIBDJDSA-N	558.547	4.294	10	40	KICB	
CCOc1ccc(NC(=O)COc2c(Br)cc(/C=C3\SC(=S)NC3=O)cc2OC)cc1	409272744	SABQXOHSRXTAEX-YVLHZVERSA-N	523.430	4.363	10	40	KICB	
O=C(NCc1ccc(N2CCCC2)cc1)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1	22525648	HHUBWEWHHXLKAG-UHFFFAOYSA-N	510.487	4.452	10	40	KICB	
CCN1C(=O)/C(=C\c2cc(C)n(-c3sc(C)c(C)c3C(=O)OC)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21	101377492	AXCSMFPKMWVRHQ-IWIPYMOSSA-N	583.732	4.487	10	40	KICB	
CN1C(=O)[C@]2(c3cc(Cl)ccc31)N(C)C[C@H](c1ccccn1)[C@]21SC(=S)N(Cc2ccco2)C1=O	106022041	FJVPZIUKYZDSRG-AYCKEJKLSA-N	525.055	4.028	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	150481405	KHCNHFXAZRQYHJ-UDWIEESQSA-N	632.432	4.351	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1	408902236	GHFBOSAZYPWCKL-RGVLZGJSSA-N	629.382	4.431	10	40	KICB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409095618	DDBCYDZJXAOGFS-UAMLYEQYSA-N	628.751	4.227	10	40	KICB	
COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=S)N(c2cccc(C(F)(F)F)c2)C1=O	409249687	NXJUOIOBGVKCQP-LICLKQGHSA-N	505.518	4.154	10	40	KICB	
COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1	59139549	GDUGSHALBHUKJL-UHFFFAOYSA-N	509.809	4.289	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCc1cccc(C(=O)O)c1	103874447	BWZQECHZILDGRL-RGVLZGJSSA-N	522.966	4.457	10	40	KICB	
COc1ccc2c(c1)[C@]1(C(=O)N2C)N(C)C[C@H](c2cccs2)[C@]12SC(=S)N(Cc1ccco1)C2=O	106022203	JSFJINBXYPDTFB-ZYKLXPEUSA-N	525.677	4.050	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCc1ccccc1	408854678	BEGGOFYIFDBJTD-GIJQJNRQSA-N	598.349	4.274	10	40	KICB	
CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O	409054826	GUNKAFUTQQFSEU-OQLLNIDSSA-N	524.165	4.285	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C	409264598	MLXHJYYEAFMZDA-HAHDFKILSA-N	571.586	4.173	10	40	KICB	
COC(=O)c1ccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)c3ccccc32)o1	409391113	HHLNMNJRSORKJT-LDADJPATSA-N	503.511	4.040	10	40	KICB	
O=C1/C(=C/c2c(N3CCc4ccccc4C3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1	2410605	CYTYNZGVOMZLFZ-STZFKDTASA-N	500.605	4.252	10	40	KICB	
COc1cccc(/C=C2/C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2O)c1OCc1cccc(C(=O)O)c1	59104294	STFJJOUDFBDXSQ-YBFXNURJSA-N	516.462	4.208	10	40	KICB	
O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1	408693953	CUDZKZHXAZAYAA-XDHOZWIPSA-N	514.332	4.341	10	40	KICB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(C(=O)O)c4)c(OC)c3)C2=O)cc1	408858993	VHKBZHKUCUFKPW-HYARGMPZSA-N	500.507	4.201	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	408987745	QZKBYSMLUIFDJG-MIUGUJGPSA-N	615.708	4.010	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC	409017840	QOPYXKKKNBYGRL-PQRKSKNISA-N	570.715	4.280	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1OC	409023244	VWKRYZGRKBOZIO-UAMLYEQYSA-N	600.741	4.289	10	40	KICB	
CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(s/c(=C/c3ccc(N4CCCC4)c(C)c3)c2=O)=N1	409061289	ZATSMACHCAKFTC-IAOUMNOZSA-N	545.705	4.496	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccccc1	409065827	NRANNMFJVFKYAT-WOJGMQOQSA-N	575.368	4.031	10	40	KICB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCC)c(Br)c3)C2=O)cc1OC	409123605	HPQCGXQRXGYLQH-GZTJUZNOSA-N	517.376	4.307	10	40	KICB	
O=C(COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-])Nc1ccc(Cl)cc1	409399691	LVSOJTXYKJRFKX-ODLFYWEKSA-N	527.320	4.381	10	40	KICB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(Br)cc1/C=C1\C(=O)NN(c2ccccc2)C1=O	409410343	VLIIWSALCUJKLA-LBOBZYTGSA-N	534.322	4.438	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(NC[C@H](O)c3ccccc3)nc12	9344717	YQOYVYGMTBSWRA-RUAJRXAUSA-N	506.653	4.292	10	40	KICB	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3cc(Br)cc(I)c3O)C2=O)c1	103845551	MWODXZAWQOWULO-ZSOIEALJSA-N	601.191	4.223	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3OC)C2=O)ccc1OC(=O)c1cccc(C)c1	408536876	SXIVRDUMWZJUAA-HMMYKYKNSA-N	500.507	4.288	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1cc(C)cc(C)c1	408939189	LUUHMCOQWMDRJP-LPYMAVHISA-N	501.495	4.466	10	40	KICB	
CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c(=O)n32)cc1	409034046	NANMYPXQBIMRJN-CMISJSSVSA-N	576.675	4.094	10	40	KICB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)cc3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409103356	YCYTVTHWVLKTBO-HDFSHUSISA-N	574.747	4.029	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1C	409253610	XKPGRLWSZJQYOP-YBFXNURJSA-N	629.382	4.431	10	40	KICB	
Cc1ccc(CN2C(=O)/C(=C/c3c(N4CCSCC4)nc4c(C)cccn4c3=O)SC2=S)cc1	8834833	WHCOUYVCRVRALH-ZHZULCJRSA-N	508.694	4.266	10	40	KICB	
COC(=O)C[C@H](C1=Cc2ccccc2OC1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	96114555	LICMPEMHTKCXTF-MRXNPFEDSA-N	518.474	4.111	10	40	KICB	biogenic
CCOc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCc1ccc2c(c1)OCO2	101170750	ISDMOVXCEHMAAU-WHINPRNFSA-N	527.562	4.455	10	40	KICB	
COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408816009	SESFSDVVLGQQHM-UHFFFAOYSA-N	500.132	4.093	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408883621	RQTWSEQRKZCUQT-RGVLZGJSSA-N	585.978	4.389	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCC(=O)Nc3ccc(C)cc3C)C2=O)cc1	409249367	HMMFEJYPOKAZGX-XQNSMLJCSA-N	513.550	4.386	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(C)cc4C)c(OC)c3)C2=O)cc1	409257101	QHFJEERSBQUVOT-HYARGMPZSA-N	529.549	4.005	10	40	KICB	
COC(=O)[C@H]1[C@H](c2ccc(OC)c(OC)c2OC)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21	15955957	PCOLEOKCAUWMCO-CCDWMCETSA-N	525.557	4.319	10	40	KICB	biogenic
CCOc1cc(/C=C2\C(=O)N(c3cccc(Br)c3)C(=S)N=C2O)ccc1O[C@H](C)C(=O)O	97944570	FDJYZCPLHSDYFB-DZZSIBQASA-N	519.373	4.371	10	40	KICB	
O=C1/C(=C/c2c(NCc3ccc4c(c3)OCO4)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1	100762763	CIWFEGGCSIIRGL-XKZIYDEJSA-N	528.615	4.437	10	40	KICB	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(OC(C)=O)cc4)c3C)C2=O)c1	408859096	SRFBXHOUPCOQRV-BUVRLJJBSA-N	531.565	4.483	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OCC)c(OC)cc3Br)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	409002422	UNSUDBHOVXKXSK-ZDGAQAAHSA-N	600.535	4.034	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1	409046403	KKLZHUKZEVCJQS-BKUYFWCQSA-N	519.941	4.341	10	40	KICB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(I)c(O)c([N+](=O)[O-])c1	409048400	OLEMWHGYGMDRCQ-FARCUNLSSA-N	539.154	4.407	10	40	KICB	
Cc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O	409259223	XHZAJDGABXRWHG-MOSHPQCFSA-N	534.912	4.241	10	40	KICB	
COc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCCN4C(=O)c3ccc(Cl)cc3)CC2)cc1	20766573	INLCRSMLVULSMM-UHFFFAOYSA-N	526.058	4.453	10	40	KICB	
COc1ccc(N2CCN(C(=O)CCc3nnc4n(Cc5ccc(Cl)cc5)c(=O)c5ccccc5n34)CC2)cc1	101038058	DCWOAABCKHVJSM-UHFFFAOYSA-N	557.054	4.036	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(COc4ccc(F)cc4F)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	102442252	LZFSHYSXRYHPDY-CRCYZHLCSA-N	579.625	4.315	10	40	KICB	
COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)N3CCN(C(=O)CCN4C(=O)/C(=C\c5ccc(C(=O)OC)cc5)SC4=S)CC3)C2=O)cc1	150419435	KBWVXZHDUFYZFA-QRNPONQASA-N	766.945	4.204	10	40	KICB	
COc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(I)cc4)cc3)C(=O)NC2=S)cc1	408755744	MRHDWTFIYKBPPU-HMAPJEAMSA-N	613.433	4.149	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)cc1OC(C)=O	408760677	CWVCFTOHIDKPSG-VGOFMYFVSA-N	552.175	4.120	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(CNC(=O)C(=O)Nc4cccc(Cl)c4)o3)C(C(=O)OC)=C2C)cc1	408850508	BCLDGNFWRZGOJY-BUVRLJJBSA-N	592.004	4.242	10	40	KICB	
CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)c(O)c1	408919853	DHNHKVBYIZQHLK-RISWYLRJSA-N	551.734	4.461	10	40	KICB	
CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(s/c(=C/c3ccc(N4CCCC4)cc3C)c2=O)=N1	409056259	GKUSCWPLNXZQJS-QVOHLBINSA-N	545.705	4.496	10	40	KICB	
Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C(=O)O)cc(C(=O)O)c4)o3)C2=O)c1	409159638	OHYFIOIFMMCZGS-RGVLZGJSSA-N	506.492	4.326	10	40	KICB	
COc1ccc(N2CCN([C@@H](c3cc4cc(C)cc(C)c4[nH]c3=O)c3nnnn3C3CCCC3)CC2)cc1	19940286	AZQUUDFJXUKUNC-MHZLTWQESA-N	513.646	4.167	10	40	KICB	
COc1ccccc1N1C(=O)C(=CNc2c(C)n(C)n(-c3ccccc3)c2=O)C(=O)N(c2ccccc2OC)C1=S	102450865	PTXOLLXYPMOHPO-UHFFFAOYSA-N	569.643	4.162	10	40	KICB	
O=C1C[C@@H](c2cc(Cl)cc3c2OCOC3)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1	108448004	MFKONQFDLJACHR-ZDUSSCGKSA-N	524.865	4.243	10	40	KICB	biogenic
CCOc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1	108504636	ZFVZREZXJSXUPD-NVMNQCDNSA-N	506.989	4.042	10	40	KICB	
O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccccc1OC(=O)c1ccc(Br)cc1	408538184	ZAUWAUBVSVNBPO-LGMDPLHJSA-N	509.287	4.474	10	40	KICB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12	409102090	CLFQGUMNOSUSRG-HXQACLMCSA-N	596.753	4.102	10	40	KICB	
Cc1cccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2Br)c1C	409254616	ZSLNFTWYZADUDC-NDENLUEZSA-N	564.392	4.455	10	40	KICB	
O=C(COc1ccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc1)N1CCOCC1	409347645	QNHIBQUQXYKWPE-CPNJWEJPSA-N	519.442	4.093	10	40	KICB	
COc1ccc(-n2c(C)cc(C(=O)COC(=O)/C=C/c3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3Cl)c2C)cc1	3364728	ZDLWUBFECMQTPJ-SQUSKLHYSA-N	546.045	4.060	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	105501127	OVNHSLBNBAHRFV-IYVASWNSSA-N	559.619	4.074	10	40	KICB	
Oc1cc(O)c2c(c1)O[C@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2	150343267	BYSRPHRKESMCPO-WYZITELYSA-N	864.765	4.242	10	40	KICB	biogenic,in-man
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Br)cc4)c(OC)c3)C2=O)cc1	408812662	SYBRCXOXYGLHTI-FYJGNVAPSA-N	565.376	4.490	10	40	KICB	
Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1	408882229	QMHIGPPTJUJSMR-ZHZULCJRSA-N	512.996	4.247	10	40	KICB	
O=C(CSc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc1[N+](=O)[O-])Nc1ccccc1	408988578	DVBLWMYHDQTQOL-CPNJWEJPSA-N	518.576	4.157	10	40	KICB	
CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C3/C(=O)N(c4ccc(Br)cc4)C(C)=C3C(=O)OC)o2)cc1	409017405	WJZJGMHIMZGRSS-BUVRLJJBSA-N	636.455	4.351	10	40	KICB	
COc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2OC)cc1	409383682	ZPVWMAFWQHQJQQ-CIAFOILYSA-N	549.967	4.350	10	40	KICB	
COc1cccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC(C)(C)C)c2ccc(N(C)C)cc2)c1	6074961	XAWLLWYCMBFIOT-MHZLTWQESA-N	514.630	4.195	10	40	KICB	
CCNc1nc(NCC)n2c(S[C@H](C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c3ccccc3)nnc2n1	102975394	LCMJALDOKZXXQD-KRWDZBQOSA-N	527.998	4.417	10	40	KICB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3cccc([N+](=O)[O-])c3)C2=O)cc1	408801694	VFUHDWDEHLYLGX-OEAKJJBVSA-N	501.495	4.411	10	40	KICB	
CCc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)C(=O)NC1=S	408851732	NEHVABITERZYQR-KGENOOAVSA-N	516.575	4.366	10	40	KICB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)o1	409020240	NANXJZZKHBTFEA-LFVJCYFKSA-N	531.590	4.338	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409046378	REDPZKPOLDOIJE-SPLCHINYSA-N	647.725	4.295	10	40	KICB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(Br)c2)n2c(s/c(=C/c3ccc(N4CCOCC4)cc3)c2=O)=N1	409057549	HIDDZPLAQKAKPP-ABBNRAPFSA-N	626.573	4.186	10	40	KICB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccccc1C(=O)O	409217358	PKXICASAQZXBEV-YBFXNURJSA-N	524.396	4.386	10	40	KICB	
COc1cc(/C=C2\SC(=S)NC2=O)cc(I)c1OCC(=O)Nc1ccccc1C	409259352	YQFVNQCBISGBOL-SXGWCWSVSA-N	540.404	4.115	10	40	KICB	
COc1cc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C(F)(F)F)ccc1OCCc1ccccc1	660902	XLFCCFYFXFYKCT-QNGOZBTKSA-N	545.539	4.313	10	40	KICB	
COc1ccc(OCCOc2c(Br)cc(/C=C3\C(=N)N4OC(C)=CC4=NC3=O)cc2OC)cc1	97964612	AZNCMOUDAXIENR-IKFXFJJLSA-N	528.359	4.374	10	40	KICB	
COc1cc([C@H]2CN(C)[C@@]3(C(=O)Nc4ccc(F)cc43)[C@]23SC(=S)N(Cc2ccco2)C3=O)cc(OC)c1OC	98007431	ZLPQRBQMERLBOB-KEFSCGHKSA-N	583.663	4.120	10	40	KICB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408882166	LLJUFGANMNGRCR-UHFFFAOYSA-N	516.200	4.258	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(I)c1OCc1ccc2ccccc2c1	408912774	RYMCDOZFHLRLJW-VCHYOVAHSA-N	558.397	4.289	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccccn4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	408992853	TXKBRMAZDVSBIX-RNEGFDSTSA-N	546.674	4.004	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1C	409252004	BBBLRGSKIRSXJG-GRSHGNNSSA-N	564.938	4.249	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Br)c1OCC	409399800	MPQVKULWQQYOTJ-UVTDQMKNSA-N	510.182	4.470	10	40	KICB	
COc1ccc(OCCOc2c(Cl)cc(/C=C3/C(=N)N4N=C(C)SC4=NC3=O)cc2OC)cc1	9659805	VVVYHDCBDDCPDK-CGQRCSLRSA-N	500.964	4.454	10	40	KICB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccccc4C)c(Cl)c3)C(=O)N=C2S1	97964779	GAMAQEVMGJWSLT-HELPIZENSA-N	533.031	4.118	10	40	KICB	
CCN(CC)c1ccc(CNC(=O)[C@H]2CN(S(=O)(=O)c3ccc(OC)cc3)c3ccc(C)cc3O2)cc1	225517447	XCYHXNQKOJYPKO-HHHXNRCGSA-N	523.655	4.123	10	40	KICB	
O=C(COc1c(Cl)cc(C=C2C(=O)NC(=O)NC2=O)cc1Cl)Nc1ccc(Cl)c(Cl)c1	408550011	APHDBPRCVVDUPI-UHFFFAOYSA-N	503.125	4.067	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	408798504	FRFCPIOCVMDZGW-CIAFOILYSA-N	532.465	4.147	10	40	KICB	
CCN(CC)c1ccc(/C=c2/sc3nc4ccccc4n3c2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1	409067267	XGTYLZCHTOCMNH-AFUMVMLFSA-N	543.605	4.229	10	40	KICB	
CCCOc1cc(Br)c(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OCC	409364451	YAHHDFVKZDCWNP-SXGWCWSVSA-N	518.320	4.211	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cn1	409409465	VMCATPMXOBLXAH-YVLHZVERSA-N	572.315	4.247	10	40	KICB	
CCOc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(Cl)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	6601111	NNNJDCFIWIEAGO-XPWALMASSA-N	501.922	4.434	10	40	KICB	
O=C1/C(=C/c2c(NC[C@H]3CCCO3)nc3ccccn3c2=O)SC(=S)N1CCCc1ccccc1	8827833	HMXMTTCZJKRXIG-DSPRMBBKSA-N	506.653	4.119	10	40	KICB	
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)cc(I)c1O	100215844	OBMKPSDWCUPIEN-WUXMJOGZSA-N	591.981	4.188	10	40	KICB	
O=C1N=C(N2CCN(c3ccccc3[N+](=O)[O-])CC2)S/C1=C\c1ccccc1OS(=O)(=O)c1ccccc1	102475057	YXOUWYLDJUKTDD-MOHJPFBDSA-N	550.618	4.155	10	40	KICB	
CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C\NN1C(=O)c2cccc3cc(O)cc(c23)C1=O	408537284	ZVAAJMNIDBJCNX-ODLFYWEKSA-N	505.328	4.024	10	40	KICB	
CNc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1I	408742449	RAIXVMWYAZFEFK-LFYBBSHMSA-N	652.024	4.366	10	40	KICB	
COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1	408780677	HROHAUDONXGSCS-MOHJPFBDSA-N	514.553	4.441	10	40	KICB	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3cc(Br)cc(Br)c3O)C2=O)c1	408854405	FDXRXYKFYDJULS-RIYZIHGNSA-N	554.191	4.381	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4cccc(C)c4)c(Cl)c3)C2=O)cc1	409054364	FQUPIOUWAFSZRR-FYJGNVAPSA-N	547.951	4.119	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)C2=O)cc1	409227033	XEDUIFZVUOICPK-CIAFOILYSA-N	549.967	4.350	10	40	KICB	
Cc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)c2)cc1Cl	409262032	CBDRZEHMXFHSKI-MTJSOVHGSA-N	505.914	4.038	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	8451416	WFEXIXVEPFOHAY-USDTVRPUSA-N	615.708	4.311	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c(N3C[C@@H](C)O[C@H](C)C3)nc12	27016528	FGEHNEFXVJIBEO-YMLLVQOGSA-N	506.653	4.018	10	40	KICB	
Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1	97962709	SACMQGBZTLZCOD-RQZCQDPDSA-N	535.441	4.369	10	40	KICB	
CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/N2N=C(c3ccc(Br)cc3)C[C@H]2C(=O)O)SC1=S	256055850	WILLSUXVEJTFFB-MSWATVTMSA-N	588.505	4.188	10	40	KICB	
COc1cccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c1OCc1cccc(C(=O)O)c1	408899781	QHAKAZLAXIEIOP-HYARGMPZSA-N	500.507	4.256	10	40	KICB	
COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)c1OCc1ccc(C(=O)O)cc1	409187100	LZZKFJANZVMUFH-HYARGMPZSA-N	516.575	4.421	10	40	KICB	
COc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Cl	409382004	XDHZQAORJYENNW-AQTBWJFISA-N	505.914	4.033	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(OC)cc1	409387735	PXVLZYLSRSFTRJ-NHDPSOOVSA-N	639.415	4.449	10	40	KICB	
CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2ccc(C(=O)OCCN(CC)CC)cc2)SC1=S	618254728	HKSLWXCVNPYXTL-BVMVRAIASA-N	555.722	4.473	10	40	KICB	
CCOc1cc(/C=C2/C(=N)N3N=C(c4ccncc4)SC3=NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	97964291	HLMVVSVPNVLRDU-ICALIKLASA-N	547.618	4.224	10	40	KICB	
CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCc3ccccc3)N3CCN(c4ccc(OC)cc4)CC3)cc2c1	100354116	ZDQKUAXYZMTBBR-SSEXGKCCSA-N	565.678	4.076	10	40	KICB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C2=O)cc1	408895296	DTEFTNKVLBUAMM-KQWNVCNZSA-N	550.589	4.227	10	40	KICB	
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3cc(C)n(-c4cccc(C(C)=O)c4)c3C)c2=O)=N1	409031397	AJQVGZFEZLKHGM-ASZNLBCTSA-N	539.657	4.408	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409227474	YUQRCWNSGLTBPL-CIAFOILYSA-N	641.418	4.388	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCC(=O)Nc3ccccc3C)C2=O)cc1	409260186	MECRDXGYTWCRSG-KGENOOAVSA-N	519.941	4.341	10	40	KICB	
COC(=O)c1ccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c3ccccc32)o1	409392134	LIKXPQJNFNBSAA-UDWIEESQSA-N	548.349	4.498	10	40	KICB	
CN(C)c1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)Cn2nnc(-c3ccccc3F)n2)cc1	887486	IVNDREVMORSSHY-NDEPHWFRSA-N	559.646	4.357	10	40	KICB	
Cc1cc(C(=O)COC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c(C)n1-c1ccccc1F	3286669	CVBIYDLRJCZIFS-UHFFFAOYSA-N	510.543	4.344	10	40	KICB	
COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1	409010284	BRVSDEOKDRINTJ-HYARGMPZSA-N	519.941	4.065	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OS(=O)(=O)c1ccccc1	409072867	NUYUFFPICMFLNF-XSFVSMFZSA-N	526.954	4.173	10	40	KICB	
COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1	409186173	YBYWXGBNSMLOIE-KGENOOAVSA-N	549.967	4.074	10	40	KICB	
Cn1c(=O)n(C)c2cc(/C=C3/SC(=S)N(NC(=O)Nc4ccc(Cl)c(Cl)c4)C3=O)ccc21	409374141	XUAIBGAHCWYXOL-LZYBPNLTSA-N	508.412	4.122	10	40	KICB	
COc1ccccc1NC(=O)COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(Cl)c2)C1=O	409375747	OUYJBNAFYIIIPY-CPNJWEJPSA-N	519.941	4.341	10	40	KICB	
O=C1/C(=C\c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC(=S)N1C1CCCC1	100860249	YNNIXDVSJPLYLZ-OQKWZONESA-N	535.670	4.304	10	40	KICB	
CN1C(=O)[C@]2(c3cc(Cl)ccc31)N(C)C[C@H](c1ccncc1)[C@@]21SC(=S)N(Cc2ccco2)C1=O	102898274	KNKLRZQWCBEUQY-NGXZDTIWSA-N	525.055	4.028	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OCC)cc4)c3C)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	408725369	HNVRITDVABORBO-XGLKJEJJSA-N	612.752	4.449	10	40	KICB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(OCC)c4)C3=O)c2C)c1	408964229	CFLILKIVHQZRMD-BUVRLJJBSA-N	501.539	4.336	10	40	KICB	
CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCC(=O)OC	409139243	ANWRPSABVNWLSC-YBFXNURJSA-N	521.016	4.145	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C	409254863	JHNUZDGHNJWGGZ-HZHRSRAPSA-N	543.576	4.395	10	40	KICB	
COc1ccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)cc2OC)cc1	409377273	HIOBFZSUISZSFI-NDENLUEZSA-N	535.940	4.041	10	40	KICB	
Cc1ccccc1NC(=O)COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-]	409398445	AXOSMDFTFCYFQA-WQRHYEAKSA-N	506.902	4.036	10	40	KICB	
O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2cccc(C(=O)O)c2)c(Br)c1	408695080	PAXLFRJXINBZKE-WOJGMQOQSA-N	513.344	4.131	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1	408734928	LOKXKEZCMADDRS-LMSRTUJASA-N	614.562	4.424	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	408999601	WZBXFLXNIUNYKZ-NULZLWRNSA-N	615.708	4.010	10	40	KICB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409098105	PJLVGTWXSREISF-ITNPZBTBSA-N	628.751	4.227	10	40	KICB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1	409266039	VVUWGRSTPRAJSX-STZFKDTASA-N	505.983	4.497	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(C)cc4C)cc3)C2=O)cc1	409270025	NULYHMOZAYHZLW-LFVJCYFKSA-N	513.550	4.386	10	40	KICB	
CC1CCN(c2ccc([C@H](C)NC(=O)CCCN(c3ccc4c(c3)OCCO4)S(C)(=O)=O)cc2)CC1	223351006	DLNOHTHHBJESRA-NRFANRHFSA-N	515.676	4.118	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	408800431	PHUZAUPAIFFZNF-FYJGNVAPSA-N	501.495	4.466	10	40	KICB	
CCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OCC)cc3)C2=O)cc1OC	408808605	JPYMUCZHIPIWIO-GZTJUZNOSA-N	531.359	4.090	10	40	KICB	
COc1ccc(OC)c([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCCC5)cc4C)c(=O)n32)c1	409061998	LHSYYELHFIGJNK-FUFNRSNVSA-N	561.704	4.113	10	40	KICB	
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)c(Cl)c1	409064672	DKOLKWFFRUJGRE-FOWTUZBSSA-N	517.346	4.428	10	40	KICB	
COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(N5CCCC5)cc4)c(=O)n32)c(OC)c1	409065209	FBWSKBVXLFXJLG-RAWKODRKSA-N	580.710	4.491	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OC	409096743	LBOLSESKRVEXQH-MDWZMJQESA-N	556.809	4.492	10	40	KICB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OC	409107593	WXDBDACHCWQDIG-NNAGEYCMSA-N	598.725	4.218	10	40	KICB	
O=C(Cn1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c2cc(Br)ccc21)NC[C@H]1CCCO1	409132118	OVPSXJVLXIGHHU-ZVQOCGJUSA-N	571.522	4.495	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1	409219333	LHSFVWVMIYJLRK-CIAFOILYSA-N	519.941	4.341	10	40	KICB	
COc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(C)c(C)c4)c3)C(=O)NC2=S)cc1	409387325	PXCZDGJZOSEQSI-BUVRLJJBSA-N	515.591	4.161	10	40	KICB	
COc1cc(CN2CCOc3ccccc3Oc3ncccc3C(=O)N(C)CC2)ccc1N1CCCC1	643569366	FAUYSKXAJAEYOE-UHFFFAOYSA-N	502.615	4.449	10	40	KICB	
O=C(Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c2ccccc21)NCc1ccco1	883648	ROACLNAPZNVPCH-CIAFOILYSA-N	518.982	4.035	10	40	KICB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCCOCCOc1ccc(C)c(C)c1	9065675	JOLNVMLRWCYAJQ-BWAHOGKJSA-N	502.567	4.248	10	40	KICB	
COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1	9232690	RBYFCLHZJRFZTA-PXLXIMEGSA-N	519.604	4.259	10	40	KICB	
COc1ccc(N2CCN(C(=O)Cn3c(C(=O)OC(C)C)cc4c3ccn4-c3ccc(F)cc3)CC2)cc1	13565038	IICCRURNQQSQLE-UHFFFAOYSA-N	518.589	4.494	10	40	KICB	
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C(=O)NC2=S)c(OC)c1	59594419	WMBDIOUSERVDKE-MHWRWJLKSA-N	513.915	4.357	10	40	KICB	
Cc1cccc(C)c1OCCOc1ccc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)cc1	101396156	KYVRHGLBDZYGKG-VKPUNFQASA-N	540.667	4.409	10	40	KICB	
COc1cccc([C@@H]2CN(C)[C@]3(C(=O)N(C)c4ccc(F)cc43)[C@]23SC(=S)N(Cc2ccco2)C3=O)c1	101400014	LJEIUUBZLKIRLN-KWTBFXGESA-N	537.638	4.128	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc(C(=O)O)c4)cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	408840329	DNBTZOJLRIWVNP-LAUBZIAYSA-N	597.693	4.142	10	40	KICB	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(O)c(OCC)c3)C2=O)c1	408848778	UCGKSQWSMMXOAV-OQLLNIDSSA-N	519.348	4.017	10	40	KICB	
COCCCNC(=O)Cn1cc(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)c2ccccc21	409149194	YYDKXERVWRIYOR-UCQKPKSFSA-N	509.653	4.204	10	40	KICB	
O=C1[C@H]2[C@@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1Cc1ccccc1	100323949	VGHAMNDXUYCJOT-BHIFYINESA-N	516.347	4.140	10	40	KICB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(OC)cc4OC)C3=O)c2C)cc1	103780900	CKQFVACKHUOYBE-HYARGMPZSA-N	533.606	4.119	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OC(C)C)c(OC)c3)C2=O)cc1	408814507	RMWNDQPVKAPLJC-LICLKQGHSA-N	531.359	4.088	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc(C(=O)O)cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	408837860	PABIFVJGDNCYIW-LAUBZIAYSA-N	597.693	4.142	10	40	KICB	
Cc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)NCc4cccs4)c4ccccc34)C(=O)NC2=S)cc1C	622465	ZPAVGHWBDVQFDE-YDZHTSKRSA-N	528.659	4.467	10	40	KICB	
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2)C1	27528265	FIXVMUDJEAPWBN-QZTJIDSGSA-N	502.592	4.381	10	40	KICB	
COc1ccc(CN2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccc(Cl)cc2)OC32C(=O)c3ccccc3C2=O)cc1	101481561	GNLLPJOVKLZKET-DNVJHFABSA-N	501.922	4.039	10	40	KICB	
Cc1cc(C(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@H]3C2=O)c(C)n1-c1cccc(C(F)(F)F)c1	102778452	GJRHGHCDZMMHPD-FFZOFVMBSA-N	504.505	4.403	10	40	KICB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(CNS(=O)(=O)c4ccccc4)o3)C(C(=O)OC)=C2C)cc1	408872182	ARJOBVDTTQCZFH-LFVJCYFKSA-N	522.579	4.034	10	40	KICB	
CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C(=N)N21	32961258	BABUTEPQCYAGIR-AJUKGGFZSA-N	507.391	4.109	10	40	KICB	
COc1cccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2OC)c1	58986900	WBGKNMGJMDJQDT-WUXVYIAASA-N	529.578	4.224	10	40	KICB	
Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@](Cc2c[nH]c4ccccc24)(C(=O)O)N[C@H]3c2ccccc2O)cc1C	102778984	MTYRNJBYRTZUPC-TUAOVVRQSA-N	509.562	4.007	10	40	KICB	
COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C	223712439	AOUDBEKUTSZQGK-WUFINQPMSA-N	533.698	4.251	10	40	KICB	
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3cc(C)n(-c4ccc(OC(C)=O)cc4)c3C)c2=O)=N1	409031810	BKLSXGMSXRSUPV-YNMQQHPQSA-N	555.656	4.131	10	40	KICB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)cc3)c(=O)n2[C@@H]1c1ccccc1OC	409101094	PQNXAEVEJQSBOJ-OAANICDFSA-N	544.721	4.103	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F	409264551	KWNBUEMTAPYYKY-WQRHYEAKSA-N	540.541	4.407	10	40	KICB	
COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc([N+](=O)[O-])c4)c(OC)c3)SC2=S)cc1	409327054	HEIRGPWXOAOIFL-QRVIBDJDSA-N	594.627	4.176	10	40	KICB	
COc1ccc2c(c1)[C@]1(C(=O)N2C)N(C)C[C@@H](c2cccs2)[C@@]12SC(=S)N(Cc1ccco1)C2=O	101443850	JSFJINBXYPDTFB-MUEKUWCCSA-N	525.677	4.050	10	40	KICB	
O=C1NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C(=O)/C1=C\c1cc(Br)ccc1OC(=O)c1ccccc1	408533712	KOALLLRUWRJCDQ-YIOBWQQESA-N	509.356	4.319	10	40	KICB	
CCOC(=O)COc1ccc(C=C2C(=O)N(c3ccc(OC)cc3)C(=S)N(c3ccc(OC)cc3)C2=O)cc1OC	408988718	JAVFOEPRFKOTCX-UHFFFAOYSA-N	576.627	4.403	10	40	KICB	
COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)C(=O)NC1=S	409172129	IEIPWQWVTHDJQU-WOJGMQOQSA-N	509.971	4.286	10	40	KICB	
COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1	409183313	BFKGMWXNTJZFQK-JLPGSUDCSA-N	601.077	4.344	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1	409227298	UVRQXDLXTPCBET-KGENOOAVSA-N	519.941	4.423	10	40	KICB	
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C)cc3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21	33592459	BPFKVJMIJRRDMM-YZSQISJMSA-N	505.640	4.331	10	40	KICB	
Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)c1C	101155777	XEBARKBJMKCVLP-MJPLJUBVSA-N	533.614	4.333	10	40	KICB	
COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccc(F)cc43)[C@]23SC(=S)N(Cc2ccco2)C3=O)cc(OC)c1OC	103019360	ZLPQRBQMERLBOB-XCZVAFSMSA-N	583.663	4.120	10	40	KICB	
CCN(CC)c1ccc(CNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	224350103	ULAGNWKVIFCZLQ-UHFFFAOYSA-N	529.634	4.201	10	40	KICB	
CCCCOc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(C(=O)OC)cc2)C1=O	408530119	ITINSBQFZRXYMM-AQTBWJFISA-N	501.333	4.081	10	40	KICB	
CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C3/C(=O)N(c4cc(C)cc(C)c4)C(C)=C3C(=O)OC)o2)cc1	409011789	IOPLUFDNLCPZRC-WGOQTCKBSA-N	585.613	4.205	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)OC	409348594	PBQNJAVFNRWGBP-YVLHZVERSA-N	541.434	4.490	10	40	KICB	
COc1ccc(Cn2nnnc2[C@@H](c2ccc(N(C)C)cc2)N2CCN(c3nc4ccccc4s3)CC2)cc1	1331304	MPPZBLNQBCDJNB-HHHXNRCGSA-N	540.697	4.317	10	40	KICB	
CC(C)c1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)cc1	6077036	CTZOYXBFFNEMIN-RUZDIDTESA-N	548.713	4.461	10	40	KICB	
COc1ccc(CCN2C(=O)/C(=C\c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)SC2=S)cc1OC	10708642	IFCSRKAFHJCGQX-HYARGMPZSA-N	530.649	4.055	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(N3CCN(c4ccc(F)cc4)CC3)nc12	97947270	LKOVWPXCSCWDGB-KQWNVCNZSA-N	561.664	4.463	10	40	KICB	
COc1ccc(C(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(I)cc4)C3=O)cc2OC)cc1	408533070	JIYSXSHMIUVPGQ-DEDYPNTBSA-N	598.349	4.194	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C(=O)O)cc4)c(I)c3)C2=O)cc1	408781373	BYGWCDRQGUGIFW-UDWIEESQSA-N	598.349	4.243	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1	409226559	UUMWLMJFZUVYMV-FYJGNVAPSA-N	564.938	4.331	10	40	KICB	
COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)[C@@H](C(=O)c2cc(OC)ccc2OC)[C@]12C(=O)Nc1ccccc12	503924650	PCBLPBFRJXVKJK-KJLZTZQRSA-N	524.573	4.275	10	40	KICB	biogenic
Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(=O)n2c1	8860095	MQDJEMXJVJIDIL-STZFKDTASA-N	523.659	4.078	10	40	KICB	
COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C	9310551	WGPVAGWSQCENGR-RGVLZGJSSA-N	500.598	4.122	10	40	KICB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1cccs1	14257397	ZZWKLWAMYDIWQS-CUPKDKKMSA-N	515.660	4.063	10	40	KICB	
COc1cc(COc2c(Cl)cc(C=C3C(=O)NC(=S)NC3=O)cc2OC)ccc1OCc1ccccc1	408539086	SOUWEILUSFNULY-UHFFFAOYSA-N	539.009	4.430	10	40	KICB	
CCOc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1OC	408740604	HIBWOLYJVRRRQP-VGOFMYFVSA-N	540.233	4.450	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)cc4)c(Cl)c3)C2=O)cc1	408887733	QSNFTNJJFRIXRC-KGENOOAVSA-N	568.991	4.259	10	40	KICB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1NC(=O)c1ccccc1	409214506	VNSPDPDNMAKOOJ-DEDYPNTBSA-N	523.412	4.083	10	40	KICB	
CCOC(=O)Cc1csc(SCC(=O)Nc2cc3c(cc2Cl)C(=O)c2ccccc2C3=O)n1	14358285	MUCXDZLMQFNSSK-UHFFFAOYSA-N	500.985	4.408	10	40	KICB	
COc1cccc(N2C(=O)N=C3Nc4c(cnn4C(C)(C)C)[C@H](c4cc(OC)c(O)c(O)c4OC)[C@@H]32)c1	66091704	ZPZAELBLQZMXRW-OALUTQOASA-N	507.547	4.040	10	40	KICB	
Cc1ccc(COc2c(I)cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)cc2I)cc1	164431191	DMNUQGCSZWRSKY-UHFFFAOYSA-N	632.261	4.382	10	40	KICB	
CCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1CN(C)S(=O)(=O)c1ccc(C)cc1	224827275	IZQMDBDUZCRUQY-UHFFFAOYSA-N	537.682	4.185	10	40	KICB	
O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1	409067657	PCDVLMXUNJAOQI-RGVLZGJSSA-N	566.320	4.301	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)ccc3OCC(=O)Nc3ccc(C)cc3C)C2=O)cc1	409260782	WHYFISSDQFMMDI-HMAPJEAMSA-N	561.978	4.427	10	40	KICB	
Cc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2Cl)cc1C	97964412	HBJMMDPTYZPOGL-MPZQNCSBSA-N	533.031	4.036	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3OC)C2=O)ccc1OC(=O)/C=C/c1ccccc1	408529351	CRRFUQDUFYILLF-BKKRHBAOSA-N	512.518	4.379	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1	408734929	LOKXKEZCMADDRS-RISWYLRJSA-N	614.562	4.424	10	40	KICB	
Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)C(=O)NC1=S	408856419	IIFAFOPHJXXPTF-RGVLZGJSSA-N	582.432	4.393	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	408878249	YVSUHCXRDQTPDA-UYRXBGFRSA-N	505.458	4.378	10	40	KICB	
COC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1cc(Cl)ccc1OC	408934751	CXAAREZGTGDIDR-QARYAGPDSA-N	548.064	4.478	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	408991269	ZOXUIBHLFWKJPP-CMISJSSVSA-N	549.693	4.052	10	40	KICB	
COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c1OCc1ccc(C(=O)O)cc1	409187823	URLYPILOGBPFEL-UDWIEESQSA-N	506.898	4.292	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C	409266802	RMVVXYYZDOIABQ-HAHDFKILSA-N	571.586	4.173	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(Br)cc1OCc1ccccc1	409373799	WEGAICUBYSCXGO-VCHYOVAHSA-N	511.328	4.292	10	40	KICB	
COc1cc(Br)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1cccc([N+](=O)[O-])c1	409408012	OMPJJARLMKHASW-UDWIEESQSA-N	524.327	4.406	10	40	KICB	
COc1cc(OC)c(CN2C(=O)c3ccccc3C2=O)cc1/C=C1/C(=O)N(Cc2ccccc2)C(=O)N=C1O	1273464	YCTUEAJBEPAVGM-LPYMAVHISA-N	525.517	4.002	10	40	KICB	
CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCC3)c2)SC1=S	2412762	NTYJTHGNBTUDQZ-QNGOZBTKSA-N	510.666	4.155	10	40	KICB	
CC[C@H](C)N1C(=O)/C(=C/c2c(N3CCN(Cc4ccccc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	100763633	PKINDBXGYDXYSB-LORYXUCWSA-N	533.723	4.325	10	40	KICB	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3cccc(OC)c3OCC(=O)Nc3ccc(F)cc3)C2=O)c1	408848900	WWILGJXQSAHENM-PXLXIMEGSA-N	577.565	4.316	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OCc1ccccc1F	408888320	ZBCQZPAERWTLOA-KGENOOAVSA-N	518.497	4.256	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(Cl)c1OCc1cccc(C(=O)O)c1	408915466	VQZTWHQMFGCLSP-DJKKODMXSA-N	524.888	4.431	10	40	KICB	
COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1	409020598	QXFVSKBBWSSHCJ-VCHYOVAHSA-N	534.396	4.170	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1	409061091	UYVJNNREVNWLJY-KMBIYUNPSA-N	596.547	4.478	10	40	KICB	
COc1ccc(N2CCN(C(=O)CN(Cc3ccc(F)cc3)S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1	409061530	FCYSKIDGQGWCDE-UHFFFAOYSA-N	532.037	4.027	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccc(Cl)cc1	409074124	YBOIJIRNBUSICJ-XSFVSMFZSA-N	526.954	4.173	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C	409258282	SRLQPINRZHHCBO-FYJGNVAPSA-N	517.513	4.135	10	40	KICB	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1	32991110	RLPHSNAHCANCIZ-UHFFFAOYSA-N	502.434	4.003	10	40	KICB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccc(Cl)c(C)c4)cc3)C(=O)N=C2S1	97964777	JIVNOIPHODNEKP-IVTJCWFQSA-N	533.031	4.118	10	40	KICB	
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)c3ccccc32)S1	100560145	WXADZJAHZGWVSX-GJZGRUSLSA-N	600.740	4.063	10	40	KICB	
O=S(=O)(O)c1ccc(Nc2cc3c(nc4ccccc4[n+]3-c3ccccc3)c3ccc(S(=O)(=O)O)cc23)c(S(=O)(=O)O)c1	150356639	AWVYDATYHKYCOW-UHFFFAOYSA-O	638.681	4.302	10	40	KICB	in-vitro
O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1	408788670	FXDUJUTWFCDDOM-CIAFOILYSA-N	521.323	4.393	10	40	KICB	
Cc1cccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)cc2Br)c1	409040265	GCCMSGCEGAFHPD-DEDYPNTBSA-N	534.366	4.441	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1OS(=O)(=O)c1ccccc1	409075691	TYEURDDKUZEKHV-NBVRZTHBSA-N	526.954	4.173	10	40	KICB	
CNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)c1	3298379	WDTAJKYCWSJUBJ-INIZCTEOSA-N	506.527	4.032	10	40	KICB	
COc1ccc(N2CCN(c3nc4ccccn4c(=O)c3/C=C3\SC(=S)N(CCc4ccccc4)C3=O)CC2)cc1	97946827	CJESJCXMEJVDBX-QLYXXIJNSA-N	583.739	4.474	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408528686	BRXIELOPKKBCMC-XDHOZWIPSA-N	521.869	4.142	10	40	KICB	
COc1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1N/C=C1\C(=O)NC(=O)N(c2cc(C)ccc2C)C1=O	408529774	HWOVQXKBRNOGHN-RCCKNPSSSA-N	534.594	4.000	10	40	KICB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(I)cc2)C1=O	408534601	MJOIBIODBJTGKL-KOTFUQRNSA-N	609.332	4.485	10	40	KICB	
CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C3/C(=O)N(c4ccc(OC)c(Cl)c4)C(C)=C3C(=O)OC)o2)cc1	408876312	NULUTLMFWAVSTQ-HZHRSRAPSA-N	622.030	4.250	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1cccc(F)c1	408952496	NZMBFAZSSGWOHW-RGVLZGJSSA-N	504.470	4.199	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCC(=O)N1CCOCC1	409207100	OZPNTOZHYXSENI-JAIQZWGSSA-N	523.007	4.131	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Cl)cc4)c3)C2=O)cc1	409227515	ZAXRAGIOCSSDQL-HAHDFKILSA-N	519.941	4.423	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc1	409267078	SFKARGZVKYJQKY-FYJGNVAPSA-N	519.941	4.341	10	40	KICB	
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1	20286506	QOWABQLYXYDGBH-QNGOZBTKSA-N	510.532	4.109	10	40	KICB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1ccccc1	103862467	RPQZKMKYIXDIME-AYTQJLEDSA-N	553.684	4.487	10	40	KICB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O	408527967	AMJGCORJKJCBQW-JFNIHZHXSA-N	501.426	4.019	10	40	KICB	
CCOC(=O)c1sc(N/C=C2\C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)c(C(=O)OCC)c1C	408535995	VDBWDJKOEANSCL-GHRIWEEISA-N	521.551	4.142	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(=O)c1ccco1	408537071	UMAJXRWMMAGQPH-MHWRWJLKSA-N	500.385	4.193	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408891135	MDBQTWBJVVUVTM-UDWIEESQSA-N	556.980	4.187	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1	409089776	KENINMSPINRGFY-WOJGMQOQSA-N	566.866	4.402	10	40	KICB	
O=C1/C(=C/c2ccc(O)c(I)c2)SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2	409140625	KUDBWCXFGHPYMY-IDUWFGFVSA-N	540.448	4.446	10	40	KICB	
Cc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Br	409257486	RQJFDNXYGWYQLH-ODLFYWEKSA-N	579.363	4.350	10	40	KICB	
COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)c(OC)c3)SC2=S)cc1	409331253	NBFDMHSWWYIUNN-QRVIBDJDSA-N	615.667	4.234	10	40	KICB	
COc1ccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2OC)cc1	409375280	IGLCBFNXNKJEBQ-NDENLUEZSA-N	596.459	4.315	10	40	KICB	
COc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Br	409383188	SBRGJKSGEPWCKK-WQRHYEAKSA-N	595.362	4.050	10	40	KICB	
CCOC(=O)c1c(NC(=O)COC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)sc2c1CCCC2	3297104	PSXUEZWXGVIOAE-UHFFFAOYSA-N	564.663	4.167	10	40	KICB	
COc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1OC	101145643	WCZCDXNIWJETFO-YTFSRNRJSA-N	562.372	4.161	10	40	KICB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)C2=O)cc1	408900722	UCWOXQOSMGCUNG-ULJHMMPZSA-N	520.563	4.218	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)N1CCOCC1	409205882	QEVWCHWVIPXAEB-MOSHPQCFSA-N	549.468	4.101	10	40	KICB	
CCOc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)ccc1OC(=O)c1cccs1	97964831	JYTACFKZFPCJLP-WTZVULCFSA-N	546.652	4.013	10	40	KICB	
COC(=O)C[C@@H](c1cc(Br)cc2c1OCOC2)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	108449284	YOOQDWZLYWEYTA-AWEZNQCLSA-N	601.358	4.312	10	40	KICB	biogenic
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OC(=O)c1ccccc1	408536810	SNGHMADNMYYTDB-CPNJWEJPSA-N	521.323	4.343	10	40	KICB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c(OCC(=O)Nc2cccc(C)c2)c1	409047768	PKFRKPMROGHRTE-DEDYPNTBSA-N	519.941	4.341	10	40	KICB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409095346	HERVADFOWXRWRN-HDFSHUSISA-N	619.744	4.019	10	40	KICB	
Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc3c(ccn3[C@@H](C)C(=O)O)c2)C(=O)NC1=S	409194994	RWYQBANTHTVERF-HNEYUBDGSA-N	512.385	4.189	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C	409258655	VCFGHDDKOVVEFH-UDWIEESQSA-N	519.941	4.341	10	40	KICB	
COc1c(I)cc(I)cc1/C=C1/C(=O)NN(c2ccc(Cl)cc2)C1=O	100282010	HOVRFJDTZZESFP-QPEQYQDCSA-N	580.547	4.019	10	40	KICB	
COc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)sc(=O)n4Cc3ccccc3Cl)CC2)cc1	225799330	CIRSWKLNAPZPOL-UHFFFAOYSA-N	530.071	4.284	10	40	KICB	
CCc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\Nc2nc3ccc(Br)cc3s2)C1=O	408535520	YSPMGJZWTDUCRE-UKTHLTGXSA-N	550.232	4.963	10	40	KICB	
CCOc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(C(=O)O)o4)c4ccccc34)C(=O)NC2=S)cc1	408544907	VXRQYWIAJXLATQ-FYJGNVAPSA-N	515.547	4.211	10	40	KICB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(Cl)cc3Cl)c2=O)=N[C@H]1c1ccc(N(C)C)cc1	408731480	KWOQQIGBUSKJMI-AFHVAHMMSA-N	516.450	4.280	10	40	KICB	
CCCOc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1OCC	408877480	WEJRCSIIBIXBKV-UVTDQMKNSA-N	538.313	4.284	10	40	KICB	
COc1ccc(Cl)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)cc3)c(=O)n21	409057865	MMMJAJGYBKKMHT-RISWYLRJSA-N	552.096	4.449	10	40	KICB	
COc1ccc(NC(=O)COc2c(Cl)cc(/C=C3\C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)cc2OC)cc1	409381294	FEMOLYRQMWXPHD-CIAFOILYSA-N	565.966	4.050	10	40	KICB	
C[C@@H](N1C(=O)NC(=O)/C(=C\c2cc3c(cc2Br)OCO3)C1=O)C12CC3CC(CC(C3)C1)C2	16576058	JQAVWIXITCNQEF-DERCLCGGSA-N	501.377	4.245	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](c4cccc(Br)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	100413945	JJYYJGBNPPQFRO-XPWALMASSA-N	574.383	4.321	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC(=O)c1ccc(Br)cc1	408530280	DTMCASVYWJWIMP-XSGFOOGZSA-N	539.382	4.327	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OC	408808083	DTGYJCFFXBLHIG-VZUCSPMQSA-N	500.132	4.440	10	40	KICB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/C(=O)NC(=O)N(c4ccccc4F)C3=O)cc2Br)cc1	408884352	YQEKJVPANQZUHG-ATVHPVEESA-N	559.369	4.331	10	40	KICB	
COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1	409011015	FJVDVJXQIHXVQQ-PCLIKHOPSA-N	578.021	4.112	10	40	KICB	
COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(I)c1OCc1cccc(F)c1	409024896	ITFQAYHMASLRGD-MFOYZWKCSA-N	526.327	4.124	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)c(Cl)c4)c(OC)c3)C2=O)cc1	409257358	OFKXXNKLOWHBFQ-MTJSOVHGSA-N	577.977	4.128	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)c(OCC(=O)Nc4ccc(C)c(C)c4)c(OC)c3)C2=O)cc1	409264536	KTZVPUQANMORHO-UUYOSTAYSA-N	683.455	4.387	10	40	KICB	
CCCCN(C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1c(N)n(CCC)c(=O)[nH]c1=O	3432861	OYJXSXBUNPRLNR-DTQAZKPQSA-N	530.604	4.367	10	40	KICB	
O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)cc1)[C@](Cc1c[nH]c3ccccc13)(C(=O)O)N[C@H]2c1ccccc1O	20547032	RGTNXIYIQXCACV-NLJXWPIHSA-N	515.953	4.043	10	40	KICB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(O)c(Br)c1	59426670	XJULBDYFQAVFDI-VZUCSPMQSA-N	500.530	4.237	10	40	KICB	
COc1ccc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccc(F)cc43)[C@]23SC(=S)N(Cc2ccco2)C3=O)cc1OC	98007434	BCSXQFCGLJZPIU-DOYMOWJKSA-N	553.637	4.112	10	40	KICB	
Cc1cc(C)cc(OCCOc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)cc2)c1	101396614	YBXAXTBOESBDRF-TUKHXMGSSA-N	526.640	4.161	10	40	KICB	
O=C(COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Br)Nc1ccccc1Cl	409268332	SGYMGHKZCVLKSJ-BOPFTXTBSA-N	570.783	4.492	10	40	KICB	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(C)cc4)cc3)C2=O)c1	103842850	MPWHNWHXNHHCJU-LFVJCYFKSA-N	543.576	4.476	10	40	KICB	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(OC)cc4[N+](=O)[O-])c3C)C2=O)c1	103845245	OMPIFLQIGFJIDE-FYJGNVAPSA-N	548.552	4.475	10	40	KICB	
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCOCC3)cc2)c2cccc(Br)c2)cc1	113625194	GWULEXFPPXKYCA-UHFFFAOYSA-N	558.498	4.106	10	40	KICB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	150398430	HCVARBMPIHITMG-GWXSLXSZSA-N	632.536	4.493	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC	408724822	DAXUSHQKWOIEIG-QTTRZTASSA-N	572.643	4.123	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OC	408764448	WVTVMOCBRYAIKO-QPEQYQDCSA-N	524.165	4.204	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	408985547	NJYSXDPLZLGTEU-NULZLWRNSA-N	615.708	4.010	10	40	KICB	
O=C(O)COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O	409043731	AEJUNZLXOZBPSA-FYJGNVAPSA-N	506.898	4.049	10	40	KICB	
CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(I)c1OC	409124130	GXFQOCBVOTVDDM-WJDWOHSUSA-N	508.337	4.099	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1Oc1ccc([N+](=O)[O-])cn1	409407289	MCZWIYNUIKUOEY-YVLHZVERSA-N	525.315	4.405	10	40	KICB	
CC(C)OC(=O)[C@H](C(=O)C(F)(F)F)c1cc(NS(=O)(=O)c2ccc(Br)cc2)ccc1O	11852729	UBZPUBBGHFLNBA-INIZCTEOSA-N	524.311	4.122	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(OCC(=O)Nc4ccccc4Cl)c(OC)c3)C2=O)cc1	409267864	PJLUSEQISYCIAO-WQRHYEAKSA-N	598.395	4.473	10	40	KICB	
O=C(COc1ccc(Cl)cc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O)Nc1ccccc1F	409369746	FUFRWBFHHAEFIQ-AQTBWJFISA-N	509.946	4.328	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1F	409376857	DMLLPCRDIOWUJV-LDADJPATSA-N	568.355	4.281	10	40	KICB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(I)c(C)c4)c3C)C2=O)o1	409400281	NOHBUSDIMJNKBO-JAIQZWGSSA-N	559.360	4.480	10	40	KICB	
COc1cccc([C@@H]2CN(C)[C@@]3(C(=O)N(C)c4ccc(F)cc43)[C@]23SC(=S)N(Cc2ccco2)C3=O)c1	102898372	LJEIUUBZLKIRLN-PUUVEUEGSA-N	537.638	4.128	10	40	KICB	
COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(=O)OC)c2)c1C	223742806	CKMQRGINRBBHLF-DQEYMECFSA-N	506.628	4.201	10	40	KICB	
CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc1OC	408835969	OSVSIHMZOMHCEV-NTUHNPAUSA-N	509.342	4.474	10	40	KICB	
COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1	409184071	IFYNYORWLAEWQW-CVKSISIWSA-N	541.604	4.333	10	40	KICB	
CCOC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccc(O)c(O)c2)cc1	902653	LSKPQFIVZIYZRG-LJAQVGFWSA-N	571.634	4.243	10	40	KICB	
Cc1cc(/C=C2/C(=O)Nc3ccccc32)c(C)n1-c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	3238873	GTILDKNFCKJJKO-XIEYBQDHSA-N	532.666	4.208	10	40	KICB	
CCCCN1CCc2cc(/C=C3\C(=O)NC(=O)N(c4ccc(I)cc4)C3=O)ccc21	13510851	URMCCLQEOBOGHP-XMHGGMMESA-N	515.351	4.120	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NN(c3ccc(CC)cc3)C2=O)c(Br)c(Br)c1O	16161651	ZRCOGZDXPHRBTI-ZROIWOOFSA-N	510.182	4.340	10	40	KICB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3cc(Cl)c(OCc4cccc(C)c4)c(OC)c3)C(=O)N=C2S1	97964757	LHAXPZJOKPXYSW-ONAIEWRJSA-N	533.031	4.247	10	40	KICB	
S=C(NCc1ccc(N2CCCC2)cc1)Nc1nc(Sc2ncccn2)cc(Sc2ncccn2)n1	225955936	VQZMJXNNPPUOIQ-UHFFFAOYSA-N	533.712	4.446	10	40	KICB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(s/c(=C/c3ccc(N4CCCC4)cc3C)c2=O)=N1	409055399	BTISHDDTIMEFIA-XQNWCSQWSA-N	559.688	4.216	10	40	KICB	
COc1ccc(NC(=O)COc2ccccc2/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1	409382945	YTNAUHHWYFEHHE-FYJGNVAPSA-N	519.941	4.341	10	40	KICB	
CC[C@@H](C)Oc1c(I)cc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1OC	12868277	WFMZYPVYKOFOAX-BVTUPMQUSA-N	526.371	4.272	10	40	KICB	
COc1ccc(N2CCN([C@@H](c3ccc(Br)cc3)c3sc4nc(C)nn4c3O)CC2)cc1	23157064	SSZPFZIZZWCBDY-FQEVSTJZSA-N	514.449	4.488	10	40	KICB	
Cc1c(NC(=O)CCN2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)c(=O)n(-c2ccccc2)n1C	101002168	ZWJQHDLBQWRWAA-RGEXLXHISA-N	557.495	4.477	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCCCC(=O)O)C3=O)c(NCCCOC(C)C)nc12	101004173	FEGPJRZZDFXNIQ-CYVLTUHYSA-N	532.688	4.076	10	40	KICB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1ccc(N2CCOCC2)cc1	260919736	NGOHGVRDTGWHLB-FQLPYIGMSA-N	517.699	4.477	10	40	KICB	
CCCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc1OC	408813743	UZODSBKSBBGUBX-MHWRWJLKSA-N	534.350	4.372	10	40	KICB	
CCOc1c(I)cc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1OC	409096081	FJEDODIATWJWKC-JYRVWZFOSA-N	556.809	4.492	10	40	KICB	
CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br	103858537	XFXBIMVQKKMNBZ-VGOFMYFVSA-N	586.620	4.473	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OCC)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1	408728098	HUSMFVXCKLFGSH-PQRKSKNISA-N	599.709	4.391	10	40	KICB	
O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1	408801416	SXHSTWATAKIIMW-VXLYETTFSA-N	522.857	4.402	10	40	KICB	
COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(I)c1OCc1ccc(F)cc1	409023655	AOZWYIXTCKJMSI-MFOYZWKCSA-N	526.327	4.124	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(Sc4nc(C)cc(O)n4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	409096620	LNHMZNAJBJNNNC-PGGUJSHWSA-N	656.584	4.175	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409226363	VJKHNGCJTXEIRE-UDWIEESQSA-N	564.392	4.450	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C	409250889	NEZLQJHBMGLTSY-HMAPJEAMSA-N	529.549	4.092	10	40	KICB	
Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4O)N[C@@](Cc4c[nH]c5ccccc45)(C(=O)O)[C@@H]3C2=O)cc1C	20546454	MTYRNJBYRTZUPC-DZNDNOMISA-N	509.562	4.007	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	408999594	WZBXFLXNIUNYKZ-HRIDGTDGSA-N	615.708	4.010	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)c(OCC(=O)Nc4ccccc4Cl)c(OC)c3)C2=O)cc1	409261548	DOMRAGFDLADTHW-WQRHYEAKSA-N	689.846	4.424	10	40	KICB	
Cc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)c2)cc1Cl	409268598	WIVGRYLQHWVPCP-NHDPSOOVSA-N	534.912	4.241	10	40	KICB	
Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCCC1)c1ccc(N(C)C)cc1	6443996	WQUCZHYOVOSKSD-XMMPIXPASA-N	534.686	4.036	10	40	KICB	
Oc1ccc([C@@H](c2cc3c(cc2O)OCO3)N2CCN([C@H](c3ccc(O)cc3)c3cc4c(cc3O)OCO4)CC2)cc1	19364894	FZGHXOVPCVCAHJ-MEKGRNQZSA-N	570.598	4.463	10	40	KICB	
COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H](c3cccc(C)c3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O	100418934	OYLSGWYWXMSVDU-RJGXRXQPSA-N	501.922	4.352	10	40	KICB	
C[C@@H](OC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	103134602	CXUVPGVDYYVEEJ-CYBMUJFWSA-N	541.438	4.371	10	40	KICB	
CN1C(=O)C(=Cc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N(C)C1=S	164429016	OELGNOQESKIOSR-UHFFFAOYSA-N	616.231	4.140	10	40	KICB	
Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O	408691329	ZJHHYVOQCCEMOE-KGVIQGDOSA-N	559.844	4.455	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc(C(=O)O)cc1	408758291	IIXYMXMSSMDAHU-JAIQZWGSSA-N	551.349	4.401	10	40	KICB	
O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1	409068784	VPMGFTWJLLXCNX-VCHYOVAHSA-N	606.794	4.445	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(C(=O)O)cc3)C2=O)cc1	409073290	GTAWLLJRGABZFQ-FYJGNVAPSA-N	551.349	4.401	10	40	KICB	
COc1c(I)cc(I)cc1/C=C1\SC(=S)N(C[C@H]2CCCO2)C1=O	409084263	XJUYEGINYNUIOG-PZHUPROXSA-N	587.242	4.285	10	40	KICB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)Nc4ccccc4CC)C3=O)c2C)cc1	409225246	KDSASIJJFHFMJW-PCLIKHOPSA-N	514.582	4.365	10	40	KICB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccccc3C)C2=O)cc1OC	409255547	HWFLITCHIPRCBC-JWGURIENSA-N	543.576	4.476	10	40	KICB	
Cc1ccc2nc(N3CCN(c4ccc(F)cc4)CC3)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(=O)n2c1	2250195	NLHPOIXQIHBVKV-STZFKDTASA-N	523.659	4.078	10	40	KICB	
CCOc1ccc(N2C(=O)[C@H]3[C@H](c4ccc(Cl)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	6601109	NNNJDCFIWIEAGO-VJBWXMMDSA-N	501.922	4.434	10	40	KICB	
CCOC(=O)c1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]23)cc1	97951350	RFWAFXINYQOYHJ-VJBWXMMDSA-N	529.932	4.212	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCc4ccccc4)C3=O)c(N3C[C@H](C)O[C@H](C)C3)nc12	100946457	PWTMQXXGVNQROC-SQGFFGQFSA-N	534.707	4.451	10	40	KICB	
COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(Cl)c1	101094958	LHKCPUWKCKSVSG-REZTVBANSA-N	571.858	4.414	10	40	KICB	
Cc1c(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)ccc(Br)c1Cl	408691350	ZLMMQIWJJMVWHT-UEXGIBASSA-N	559.844	4.455	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	408725767	JWRWVRLTTULFOP-JBDHCHCMSA-N	602.669	4.131	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408913212	UDTPSALUUYQEGF-DJKKODMXSA-N	524.888	4.431	10	40	KICB	
CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Br	409047622	PEWURIWLIQVQBF-AWNIVKPZSA-N	539.136	4.185	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1O[C@@H](C)CC	409410145	ZLBNJXFWKKQWHA-FMNVXAMXSA-N	506.340	4.329	10	40	KICB	
O=C1N=C(NC2CCCCC2)S/C1=C\c1ccc(-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1	13112966	PYGRLARFBNKXTA-QNGOZBTKSA-N	509.613	4.430	10	40	KICB	
O=C1c2cnc3ncnn3c2[C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H](c3cccc(Cl)c3)[C@H]2N1Cc1ccccc1	97965939	OEGVVYYJFPDBND-LGPLSSKUSA-N	561.985	4.475	10	40	KICB	
O=C1/C(=C/c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1	100871298	PWVAHDMWECDVDU-JWGURIENSA-N	547.637	4.155	10	40	KICB	
Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCS(=O)(=O)O)C2=O)cc2c1O[C@@H](C)C2	102601856	XVMCRFJXTZSRQV-REIAIGDLSA-N	541.676	4.260	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408692459	MYZDXNGENSPXAE-VCHYOVAHSA-N	591.358	4.191	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408879018	DTCWUJIDDNNHJT-DEDYPNTBSA-N	540.981	4.481	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1O	408899700	PYKJXKLIMAEPLY-QPEQYQDCSA-N	524.165	4.291	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	408988536	RDEJTACDFVCLSL-CBYYHRJHSA-N	600.535	4.034	10	40	KICB	
COc1cc(/C=C2/C(=O)N(c3cccc(C(=O)O)c3)N=C2C)ccc1OCC(=O)N[C@@H](C)c1ccccc1	13914194	BVPYLVJKFJNJCR-MAKCPWPFSA-N	513.550	4.456	10	40	KICB	
Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H](c4ccccc4O)N[C@](Cc4c[nH]c5ccccc45)(C(=O)O)[C@@H]3C2=O)c1	102781210	IIVZPOSHWDJSRJ-PYOQLBSMSA-N	509.562	4.007	10	40	KICB	
CCOC(=O)c1cccc(-c2ccc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)o2)c1	103593391	UPVMOPVAJAMHQP-NVOZUQLISA-N	519.583	4.145	10	40	KICB	
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NCc1ccc(N2CCCCC2)cc1	113623996	RZJMXNNWMFGUSV-UHFFFAOYSA-N	539.629	4.099	10	40	KICB	
O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc(Cl)c(Cl)c1	408686185	MTQCELMHFWKNCW-WFXMLNOXSA-N	501.366	4.038	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(OC)c3)C2=O)cc1	408801207	SHMRTGOMCGMZHP-HYARGMPZSA-N	518.497	4.256	10	40	KICB	
O=C(COc1ccc(Cl)cc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O)Nc1ccc(F)cc1	409361956	DXVWRPBSKZOHJA-MOSHPQCFSA-N	509.946	4.328	10	40	KICB	
COc1ccccc1NC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OC	409382025	JXKJKONLRUPINK-WOJGMQOQSA-N	598.381	4.289	10	40	KICB	
COc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]32)cc1OC	844585	XELDITCAKQZYMP-ZLNRFVROSA-N	562.372	4.161	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCc4ccccc4)C3=O)c(NC[C@H]3CCCO3)nc12	12343988	IBTPEPOHINWBJA-SUNMQZQPSA-N	520.680	4.428	10	40	KICB	
COc1c(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(CCN(C)C(=O)c2ccccc2)cc2c1OCO2	70672204	RMVYECNSHIISHT-JCMHNJIXSA-N	606.429	4.168	10	40	KICB	biogenic
COc1ccc(N2CCN(CN3C(=O)[C@@]4(OC[C@H](COc5ccc(Cl)cc5)O4)c4ccccc43)CC2)cc1	98007892	JJYXTUXQRGSHTA-ABYGYWHVSA-N	536.028	4.122	10	40	KICB	
COc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)cc2OC)cc1	409266911	YZYFOBCJTGNASA-CVHFWEDTSA-N	514.625	4.102	10	40	KICB	
COc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)cc2OC)cc1	409369965	IJCFOEXXGLDHGL-UCQKPKSFSA-N	529.549	4.005	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(OC)cc1	409380335	DDAFCXBMBBHOEO-NHDPSOOVSA-N	594.964	4.339	10	40	KICB	
CCOC(=O)[C@H](C)Oc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br	409398850	DSEBCLPYSIWIGU-ZENNRRHLSA-N	538.192	4.003	10	40	KICB	
CCOc1ccccc1C(=O)NN1C(=O)c2cc(I)ccc2N[C@H]1c1cc(OC)ccc1O	2745582	HNYAXALPLNOZSY-JOCHJYFZSA-N	559.360	4.316	10	40	KICB	
CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@H](c2cc(I)cc(C)c2O)N3)C1	8921701	LBBPVYSKIKKNKQ-INIZCTEOSA-N	513.357	4.310	10	40	KICB	
COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)[C@H](C(=O)c2cc(OC)c(OC)c(OC)c2)[C@]12C(=O)Nc1ccccc12	70672389	MHZHCDFGVJPVLG-XVUPITKPSA-N	554.599	4.283	10	40	KICB	biogenic
CCOc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OC(=O)c1ccc(OC)cc1	101130890	PJCFPPDKHWAYJZ-OAXZUEFOSA-N	527.562	4.376	10	40	KICB	
O=C(NCc1ccc(N2CCCCC2)cc1)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1	140053416	RYRVGJNRSPPSIV-UHFFFAOYSA-N	534.520	4.298	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409060204	YJBRXGQCPWQREK-KEBDBYFISA-N	609.389	4.358	10	40	KICB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)cc2Br)cc1	409075360	XJQCLXSXUVJMKU-XDHOZWIPSA-N	559.369	4.331	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	409273604	KIFXNEVIAMSHPD-IAOUMNOZSA-N	589.718	4.009	10	40	KICB	
CCCN1C(=O)/C(=C\c2ccc(OS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)c(OC)c2)SC1=S	409346520	KGQNHGATOJOGIW-YBFXNURJSA-N	508.599	4.291	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(N3CCN(c4ccc(F)cc4)CC3)nc12	2246814	VEXFEKCGIZCELW-JCMHNJIXSA-N	537.686	4.326	10	40	KICB	
CCCCN1C(=O)/C(=C/c2c(N3CCN(Cc4ccccc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	100755928	YTHDUECUZWUAGI-QJOMJCCJSA-N	533.723	4.326	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCCOc1ccc([N+](=O)[O-])cc1	101450702	GBWUASNCQXRMOT-STZFKDTASA-N	582.363	4.490	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc(I)c1OCc1ccccc1	408934696	BOKXMZFCHDKOQR-YBFXNURJSA-N	598.349	4.243	10	40	KICB	
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3cc(C)n(-c4ccc(OC)cc4)c3C)c2=O)=N1	409038821	VVUHRQCOINWAMX-CMISJSSVSA-N	527.646	4.214	10	40	KICB	
O=C(COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O)Nc1ccccc1	409049140	VAEJCVATZZTGNA-XSFVSMFZSA-N	520.339	4.133	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br	409086219	YRTRQZWEYYEUFW-ORVZPOCUSA-N	671.570	4.477	10	40	KICB	
COc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O	409378456	PKDHFQSGPAPODJ-RGEXLXHISA-N	521.982	4.197	10	40	KICB	
O=C(Nc1nccs1)[C@H](c1cc(F)ccc1O)N1Cc2ccc(-c3ccc(N4CCNCC4)cc3)cc2C1=O	1857522946	VHQVOTINPRYDAO-SANMLTNESA-N	543.624	4.400	10	40	KICB	
COc1cc(/C=C2\SC(N(C(C)=O)c3ccc(C)cc3)=NC2=O)cc(I)c1O	679309	FPHOPWDDRPWABN-YVLHZVERSA-N	508.337	4.337	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(CCS(=O)(=O)O)C2=O)ccc1OCc1ccc(Cl)cc1	8821395	AOHCYNZOCBCXRW-WQRHYEAKSA-N	500.019	4.017	10	40	KICB	
COc1cccc([C@H](c2cc3c(cc2O)OCO3)N2CCN([C@H](c3cc4c(cc3O)OCO4)c3cccc(OC)c3O)CC2)c1O	22859555	NPBGZKJUMNQJMP-MEKGRNQZSA-N	630.650	4.480	10	40	KICB	
COC(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12	96222915	ZGPFHESDMPHHKL-INIZCTEOSA-N	522.506	4.298	10	40	KICB	biogenic
COc1ccc(CCN2C(=O)/C(=C/c3c(N4C[C@H](C)O[C@H](C)C4)nc4c(C)cccn4c3=O)SC2=S)cc1	97969864	KHRJEXUVGLTWEH-XLLGHEEISA-N	550.706	4.069	10	40	KICB	
O=C1S/C(=C/c2ccc(N3CCOCC3)cc2)C(=O)N1Cc1ccc(I)cc1	205776033	CCWNKPDCXQLCLO-CPNJWEJPSA-N	506.365	4.364	10	40	KICB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)C(=O)NC2=S)c1	408772772	FPQGJFYNCWCMDU-YZSQISJMSA-N	514.651	4.379	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OC(C)C)c(OCC)c3)C2=O)cc1	408806429	NBPVCLLYLJCLGY-WOJGMQOQSA-N	545.386	4.478	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Cl)c1OCC(=O)OC	408847746	OEBQJNKANMOBFR-KPKJPENVSA-N	543.812	4.429	10	40	KICB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCc1ccc(Br)cc1	408871654	IEFMXGKNOXFRMY-UHFFFAOYSA-N	540.233	4.104	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc(Br)c1OC(C)C	409190055	VISCPYOJIUWHHP-CXUHLZMHSA-N	533.400	4.165	10	40	KICB	
CCOc1cc(OCC)c(/C=C2\C(=O)NC(=O)N(c3ccccc3OCC)C2=O)cc1Br	409232838	SKFCKTCPGXTBRO-RVDMUPIBSA-N	503.349	4.312	10	40	KICB	
Cc1ccc(NC(=O)COc2cccc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)c2)cc1C	409380656	ANYDUKLHVRSSCL-KGENOOAVSA-N	503.555	4.291	10	40	KICB	
CCc1nnc(NS(=O)(=O)c2ccc(N/C=C3\C(=O)N(c4cccc(Cl)c4)N=C3C)cc2)s1	100507277	SDVFVRHYJNADMV-PDGQHHTCSA-N	503.009	4.273	10	40	KICB	
Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)c1C	103119019	XEBARKBJMKCVLP-BAMDHRJJSA-N	533.614	4.333	10	40	KICB	
Cc1cc(N2C(=O)NC(=O)/C(=C\Nc3cc4nc(O)[nH]c4cc3N3CCN(c4ccccc4)CC3)C2=O)ccc1Br	408539141	UDVULGXNDRCSLP-CAPFRKAQSA-N	616.476	4.245	10	40	KICB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409100749	WQHZDXNELJGNEF-ITNPZBTBSA-N	629.739	4.437	10	40	KICB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccc(C(=O)O)cc4)c3)C2=O)cc1OC	409134109	OXXRVSHCJJVPJG-IWIPYMOSSA-N	544.560	4.423	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)C2=O)cc1	409226038	RLJPLHYNHDAWDP-CIAFOILYSA-N	641.418	4.301	10	40	KICB	
COc1ccccc1NC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OC	409387787	QOUHDYZJJZWCTN-WOJGMQOQSA-N	553.930	4.180	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C(=O)O)cc4)c(OC)c3)C2=O)cc1	9310771	QCBHAWLEZVMIGI-HYARGMPZSA-N	516.506	4.038	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)cc(I)c1OC(C)C	409068329	RYFFLGMTCWXEMR-CXUHLZMHSA-N	596.443	4.326	10	40	KICB	
CCCOc1cc(Br)c(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC	409359610	WZKWKXZDRNQRLY-YBEGLDIGSA-N	518.320	4.211	10	40	KICB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccc(F)cc3)C2=O)cc1OC	409363133	JSXKYXUKZCZRJM-JCMHNJIXSA-N	547.539	4.307	10	40	KICB	
COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c1	8819204	VPJBGWJRSWBVJK-PGMHBOJBSA-N	522.652	4.113	10	40	KICB	
O=C1[C@H]2[C@H](C(=O)N1c1ccc(F)cc1)C1(O[C@H]2c2ccc(Br)cc2)C(=O)c2ccccc2C1=O	100414056	OICVASDHEJUTFN-HBMCJLEFSA-N	520.310	4.283	10	40	KICB	
O=C1N=C(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)S/C1=C\c1ccccc1OS(=O)(=O)c1ccccc1	101670118	KSQCZKMQRMHEFQ-MOHJPFBDSA-N	550.618	4.155	10	40	KICB	
CCN(CC)c1ccc(CNC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1	225162336	QTFYRTDBCSEDJL-UHFFFAOYSA-N	525.671	4.370	10	40	KICB	
CCC(=O)Oc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O	408529695	CXOFRJOHOLYZLB-GDNBJRDFSA-N	522.149	4.193	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OCC)cc4)c3C)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	408725788	KFEHDMUJTISBKQ-MIUGUJGPSA-N	613.692	4.111	10	40	KICB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c(OCc2ccc([N+](=O)[O-])cc2)c1	408806120	AVLVIFJBBGTSLF-LPYMAVHISA-N	501.495	4.466	10	40	KICB	
Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1	409047662	PLJXAYQJZRXMHQ-FYJGNVAPSA-N	534.912	4.241	10	40	KICB	
COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc(I)c3)c2C)C1=O	409096753	DXMNHIKARWFTJD-YRUBURHZSA-N	510.353	4.297	10	40	KICB	
CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCOCC4)cc3)C2=O)ccc1Cl	409168870	NIPGPBKZBDJZDZ-FYJGNVAPSA-N	530.002	4.028	10	40	KICB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4C)cc3)C2=O)cc1OC	409258150	RRFFNHOKONBAMQ-KQWNVCNZSA-N	543.576	4.476	10	40	KICB	
CCOC(=O)c1cc(C(=O)OCC)cc(-n2c(C)cc(C(=O)CSc3nnc4ccccn34)c2C)c1	1017567	BIUZUXIFJQFWHE-UHFFFAOYSA-N	506.584	4.465	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@H]1c1cccs1	8451574	BMCGBNOFRRQPQP-GVMLUORFSA-N	575.712	4.362	10	40	KICB	
COc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)ccc1OCc1ccc(C)cc1	9455335	LVWUYDJVUUEWNU-CCDSKFFISA-N	517.611	4.214	10	40	KICB	
CSc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCOCC3)cc2)c2ccc(C)cc2)cc1	10113364	XXAAWIPROFKHBN-UHFFFAOYSA-N	525.696	4.065	10	40	KICB	
COC(=O)C[C@H](c1ccc(OC(C)C)c(OC)c1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	97971838	BTENIZLVUHQZGI-MRXNPFEDSA-N	552.532	4.479	10	40	KICB	biogenic
CCCn1c(=O)/c(=C2/C=Cc3ccccc3N2CC)s/c1=C1/SC(=S)N(c2ccc(C)cc2)C1=O	100087936	GYVOAZVODQCFHQ-OVSCGYIVSA-N	519.717	4.463	10	40	KICB	
CCOc1cc(Br)c(/C=C2/C(=O)N(CCOC)C(=O)N(c3ccccc3)C2=O)cc1OCC	409009479	AINNGCFUNBHEBQ-AQTBWJFISA-N	517.376	4.272	10	40	KICB	
COc1ccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)cc2OC)cc1	409379293	VTNFTTGLAYKLOK-NDENLUEZSA-N	580.391	4.150	10	40	KICB	
O=C1NC(=S)N=C(O)/C1=C\c1ccc(-c2c(Br)cc([N+](=O)[O-])cc2Br)o1	832871	DAIYGQLBCFNHPU-UHFFFAOYSA-N	501.112	4.134	10	40	KICB	
O=C(NC1CCCCC1)[C@H](c1ccc(N2CCOCC2)cc1)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21	905914	XRFGPASIKWGDLY-PMERELPUSA-N	556.667	4.080	10	40	KICB	
O=C1/C(=C/c2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1	13748914	XMUKLDIDKBMNQT-JHRFGPFWSA-N	514.632	4.241	10	40	KICB	
CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c1	97961040	LAXFUYDCYDGAKO-FYYJVHHASA-N	554.719	4.170	10	40	KICB	
COc1cc(/C=C2\SC(=S)N([C@@H]3CC(=O)N(CCCCCC(=O)O)C3=O)C2=O)ccc1OCc1ccc(F)cc1	100971776	PSLAJPCQFFWGFB-SPMKTWQFSA-N	586.663	4.387	10	40	KICB	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OCc1ccc(F)cc1	101396578	VDOAOQMUWXGIJE-BTGMWCQSSA-N	530.603	4.203	10	40	KICB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c1C	223231809	UQPJPSJATFUGHT-LOSJGSFVSA-N	508.648	4.330	10	40	KICB	
COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409023371	SJUTVXVSMWYZIB-MFOYZWKCSA-N	506.334	4.051	10	40	KICB	
Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C3\SC(=S)N(NC(=O)c4cccs4)C3=O)cc2)cc1	409197374	DBCJIGHXVRMYTR-MOSHPQCFSA-N	537.644	4.398	10	40	KICB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(C(=O)O)cc1	409407633	NCXKYKMORHEARP-ODLFYWEKSA-N	523.339	4.196	10	40	KICB	
COc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	9353602	QQNGADNQGISPNE-RNDHPAASSA-N	514.523	4.245	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC	59433133	GEKAYBNQQRMCAN-ABBNRAPFSA-N	527.646	4.214	10	40	KICB	
CCOc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(Cl)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	100517656	NNNJDCFIWIEAGO-RJGXRXQPSA-N	501.922	4.434	10	40	KICB	
CC[C@@H](C)N1C(=O)/C(=C/c2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc3ccc(C)cn3c2=O)SC1=S	100763091	HLSUQXBCCVBOGN-QHSFOXILSA-N	577.732	4.054	10	40	KICB	
COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C(=O)O)ccc2C)c1C	223728203	XMCLRWKDOQHHOP-RPBOFIJWSA-N	506.628	4.421	10	40	KICB	
O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1	408695665	XFNLXTIKYCSHQU-XDHOZWIPSA-N	514.332	4.341	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(C(=O)O)cc4C)o3)C2=O)c(OCC)c1	408963523	ZUYRGWSWCORAQV-DEDYPNTBSA-N	504.495	4.417	10	40	KICB	
CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1	409003714	KGEINTSMAVHBGJ-LFVJCYFKSA-N	513.550	4.110	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	409022043	CWSMRQKVZMGOSI-MIUGUJGPSA-N	584.698	4.001	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1cc(OC)ccc1OC	8424302	MVGGCDAOSMQIQZ-XGLZOBASSA-N	644.588	4.433	10	40	KICB	
CC(C)C(=O)N[C@H](Oc1ccc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc1)C(Cl)(Cl)Cl	97947594	QXOARTSOSHWIES-HOFZKYPUSA-N	525.863	4.210	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OCC)ccc4ccccc34)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	97966080	XLVJIAYGWZNZAH-FHMSYZJOSA-N	541.673	4.416	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	100230352	IAVCCYNPXJJNSK-FYJGNVAPSA-N	571.007	4.490	10	40	KICB	
CCN(CC)c1ccc(CNC(=O)C2CCN(S(=O)(=O)Cc3cccc(Br)c3)CC2)cc1	225776425	GFSGDLSKKBIQPQ-UHFFFAOYSA-N	522.509	4.154	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC(=O)c4ccc(Br)cc4)c(OC)c3)C2=O)cc1	408537774	XEAXLIRYRLSAFD-DEDYPNTBSA-N	551.349	4.352	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408897344	ROOOCQXKQJPODK-UNOMPAQXSA-N	634.473	4.207	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Br)c1OCc1ccc2ccccc2c1	408914339	PHWHCWYDWPUMBM-VCHYOVAHSA-N	511.397	4.446	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1	409045120	FOPJPJGRUCDKMK-UDWIEESQSA-N	519.941	4.341	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OS(=O)(=O)c1ccc(Cl)cc1	409069800	WSXPMVZFWMSSIB-YBFXNURJSA-N	547.372	4.436	10	40	KICB	
CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)O)cc4)c(OC)c3)C(=O)NC2=S)cc1	9933315	FAYZIRFQRGNERG-HYARGMPZSA-N	516.575	4.366	10	40	KICB	
Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@@H](c1ccc(O)c(O)c1)[C@@H](O)C2	150357797	MOJZMWJRUKIQGL-ZFZMAKKZSA-N	866.781	4.444	10	40	KICB	biogenic,in-vitro
CCN(CC)c1cc2[nH]c(O)nc2cc1N/C=C1\C(=O)N(c2ccc(I)cc2)N=C1C	408526759	CIBPIRPHULLLRD-VBKFSLOCSA-N	530.370	4.438	10	40	KICB	
CCC(=O)Oc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O	408529726	CZBKAWFRKYVHKD-DHDCSXOGSA-N	511.250	4.450	10	40	KICB	
O=C(COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Br)Nc1ccccc1	409259384	YTZLCAOMVJVUAB-UYRXBGFRSA-N	536.407	4.298	10	40	KICB	
COc1ccc(N2CCN(C(=O)CN(CCc3ccccc3)S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1	14414004	OCDTZLTWFGHVRZ-UHFFFAOYSA-N	535.710	4.203	10	40	KICB	
CN(C)c1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)Cn2nnc(-c3ccccc3F)n2)cc1	100329718	LEQKKECXYYPIQQ-LJAQVGFWSA-N	555.658	4.374	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCC(=O)Nc1ccccc1	409059159	UNPWRPXBMWLLOK-CPNJWEJPSA-N	519.941	4.341	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409226760	WNPRYMUCYDUYGV-CIAFOILYSA-N	549.967	4.437	10	40	KICB	
O=C(O)Cc1c(-c2ccc3c(c2)OCCO3)oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c12	524729817	KJJVENNANYQRPB-UHFFFAOYSA-N	518.430	4.094	10	40	KICB	biogenic
COCCN1C(=O)/C(=C/c2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)SC1=S	97947385	SOBGKUSMLSWKGC-VBKFSLOCSA-N	518.414	4.097	10	40	KICB	
COc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1OC	100555566	WCZCDXNIWJETFO-XPWALMASSA-N	562.372	4.161	10	40	KICB	
O=C(Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc21)Nc1ccc(Cl)cc1	103843358	KQSKCQLXVUKWCN-SRZZPIQSSA-N	542.935	4.329	10	40	KICB	
O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1	408773264	JQVVOUWFDGHFJD-GZTJUZNOSA-N	586.313	4.374	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCCOCCOc1ccccc1	408969603	QOHTVAOGMMKBFT-JWGURIENSA-N	536.968	4.489	10	40	KICB	
O=C1NC(=S)NC(=O)C1=Cc1cc(Br)cc(Br)c1OCc1ccc(Br)cc1	409041650	KIVJWZBOGAVPNB-UHFFFAOYSA-N	575.076	4.467	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1OCC(=O)Nc1ccccc1Cl	409254991	GONBPATXZOWUAE-UNOMPAQXSA-N	521.016	4.432	10	40	KICB	
COc1ccccc1NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC	409376732	AMZKWVISMRANQD-XDHOZWIPSA-N	549.967	4.350	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1ccc(Br)cc1	2185165	NPYFYZYMBUDPHU-YMSBRDKKSA-N	570.509	4.113	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)OCC)cc4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	2992391	CTKPUFPLWSOYBG-RYOBIWAXSA-N	585.682	4.301	10	40	KICB	
CCC(C)(C)NC(=O)[C@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1C	6077457	DLRYHGJHXVLPCN-QHCPKHFHSA-N	536.702	4.200	10	40	KICB	
COc1ccc(N2CCN(C(=O)COc3ccc(N(Cc4ccccc4Cl)S(C)(=O)=O)cc3)CC2)cc1	59928913	HVQRFWMNMUCXRB-UHFFFAOYSA-N	544.073	4.042	10	40	KICB	
COC(=O)c1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc1OC	101570962	CWSLHLNONBMTBL-LPYMAVHISA-N	543.532	4.004	10	40	KICB	
CC(=O)N(C(=O)CC(=O)N1N=C(c2ccccc2)[C@H](/N=N\c2ccccc2[N+](=O)[O-])C1=O)c1ccc(Cl)cc1	104306208	NOCFURHLBZOEFG-WEBDSESRSA-N	546.927	4.443	10	40	KICB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(I)c(OC(C)C)c(OC)c2)C1=O	408869376	CLRPVDARTVASAJ-YBEGLDIGSA-N	534.350	4.316	10	40	KICB	
CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C(=O)O)cc(C(=O)O)c4)o3)C2=O)cc1	409160942	YJNPNCDFXDUAPS-CIAFOILYSA-N	536.518	4.417	10	40	KICB	
CCCCN1C(=O)/C(=C\c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC1=S	9540816	MOXZLEVKIUIMKA-HEHNFIMWSA-N	523.659	4.162	10	40	KICB	
CCCCCOC(=O)CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)OCCCCC)C2=O)SC1=S	17595863	ZRBBKTNDLCLMLT-ISLYRVAYSA-N	546.758	4.166	10	40	KICB	
Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1	408897598	YTZVXCPWKUUUNR-KGENOOAVSA-N	510.955	4.391	10	40	KICB	
CCOc1cc(/C=C2/C(=O)N(CCOC)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCC	409010013	AYOPUOODQGWPFI-AQTBWJFISA-N	564.376	4.114	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)N1CCOCC1	409200294	RFWVADXMVFEPGF-HAHDFKILSA-N	512.653	4.346	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1	409266995	ZTRZUGKJCAAQBV-MOSHPQCFSA-N	521.982	4.197	10	40	KICB	
COc1cc(Br)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)Nc1cccc(F)c1	409404089	BWGDABXAWFFZAQ-RGVLZGJSSA-N	540.345	4.076	10	40	KICB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(Br)c(O)c(I)c1	100192693	JFPUVUCMVBDASN-WZUFQYTHSA-N	547.530	4.079	10	40	KICB	
CCOc1ccccc1N1C(=O)[C@H]2[C@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O	100415714	SMCXJBKSVYHVDA-VJBWXMMDSA-N	501.922	4.434	10	40	KICB	
O=C(NCc1ccc(N2CCCCC2)cc1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1	216299863	XXBAQDRWTAIBJD-UHFFFAOYSA-N	508.059	4.328	10	40	KICB	
COc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1Br	408744148	YXCSSGJQUFMEHK-NTUHNPAUSA-N	510.207	4.360	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	408983456	KKZGLJXQFBWKLR-XSTKMXAKSA-N	615.708	4.342	10	40	KICB	
Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(I)o3)SC2=S)c(Cl)c1	409149948	WJWVKQCIVZWMJQ-GHXNOFRVSA-N	504.758	4.392	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1ccccc1Cl	2163913	XVSUAWIMTNWRFS-XPCGLTFESA-N	526.058	4.004	10	40	KICB	
COc1ccc(N2CCN(C(=O)CCc3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)CC2)cc1	28208822	VAGFCTMDKXFJEP-UHFFFAOYSA-N	519.667	4.118	10	40	KICB	
CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/N2N=C(c3ccc(Cl)cc3)C[C@@H]2C(=O)O)SC1=S	256055522	JPXOUMQCVMLMEX-XMCGGYMHSA-N	544.054	4.079	10	40	KICB	
COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2C)cc1	408742782	PWXHAQRVRBQSRP-BKUYFWCQSA-N	522.355	4.310	10	40	KICB	
COc1cc(I)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c1OC	408852624	LZWWOXFPSLCDCI-YRNVUSSQSA-N	563.200	4.447	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)cc3C)c(=O)n2[C@@H]1c1cc(Br)ccc1OC	409061564	FRGQCFQUGLQDQI-LMSRTUJASA-N	596.547	4.478	10	40	KICB	
O=C(COc1ccc(Br)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O)Nc1ccccc1F	409401740	ZLVKRAXSLUAEMT-AQTBWJFISA-N	510.319	4.067	10	40	KICB	
O=C(O)Cc1c(-c2ccc3c(c2)OCO3)oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c12	604405285	YPGGMSQDFOEIJR-UHFFFAOYSA-N	504.403	4.051	10	40	KICB	biogenic
COc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)cc(Cl)c1OCCOc1ccc(NC(C)=O)cc1	97964883	VLOJPBCAIBFLQO-JWRAQDAWSA-N	527.990	4.404	10	40	KICB	
CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(N(CC)CC)cc3)c2=O)=N1	103827648	BXZRAUMFLSGPQQ-FHMSYZJOSA-N	563.720	4.442	10	40	KICB	
O=C(c1ccccc1)c1cc(Cl)ccc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	112234705	ALZIYBVERVBBPY-UHFFFAOYSA-N	524.986	4.443	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1	408979031	BNVAXYCJZGNZOW-RGFRMHDHSA-N	585.682	4.001	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4cccc(C)c4)c(Br)c3)C2=O)cc1	409042768	CPBSKFDHNRPREF-FYJGNVAPSA-N	592.402	4.228	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCC(=O)O	409053260	BNTDPBCFFVXVQV-RGVLZGJSSA-N	581.375	4.167	10	40	KICB	
CCOC(=O)COc1c(I)cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1OC	409344605	HNHGMCXOQQCTIW-LICLKQGHSA-N	632.885	4.441	10	40	KICB	
COc1ccc2c(c1)N(C)/C(=c1/s/c(=C3/C(=O)N(c4ccccc4)N=C3C)n(C3CCCCC3)c1=O)S2	97964007	WJJAWEINVFZCJI-YFMKTMAWSA-N	532.691	4.305	10	40	KICB	
COc1ccc(N2CCN(c3nc4c(C)cccn4c(=O)c3/C=C3\SC(=S)N(Cc4ccco4)C3=O)CC2)cc1	100762443	NTQMJTTULTXVHI-ULJHMMPZSA-N	573.700	4.333	10	40	KICB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1cccc2ccccc12	101393977	JAKAXVYUFJKBOZ-ZKZDLDBDSA-N	520.592	4.049	10	40	KICB	
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1	409011028	FLSUDYZOTALJSV-PCLIKHOPSA-N	527.577	4.419	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(Br)c1OCC(=O)N1CCOCC1	409232312	QAFYSDKBYUPMGU-MOSHPQCFSA-N	563.495	4.410	10	40	KICB	
O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1	29747484	KADDFPRHLNNLBU-UHFFFAOYSA-N	522.582	4.461	10	40	KICB	
Cc1ccccc1OCCCOc1ccc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)cc1	101162979	ZZZLDSQAHPYOKZ-XEQYNKKRSA-N	531.638	4.475	10	40	KICB	
CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OCC	408983946	OTQDWINJPRDZGD-PXNMLYILSA-N	521.353	4.309	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)OC	408985516	XFFVWLQLOIUTGH-CHHVJCJISA-N	551.777	4.028	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)c(=O)n2[C@@H]1c1cccs1	408985632	OBSLJYNKFBYZSH-XSZPGNIMSA-N	561.685	4.054	10	40	KICB	
COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1	409003078	DAONPJKBDURBTP-ZVHZXABRSA-N	563.994	4.069	10	40	KICB	
CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(N(CC)CC)cc4)c(=O)n32)cc1	409041750	VMMAKEXNOBKEMS-XKGHIZKOSA-N	533.694	4.432	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1	409046308	JWFRCAOLQKEUIT-UCQKPKSFSA-N	513.550	4.304	10	40	KICB	
Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1C	409263597	ICZWKJCMGZWHMA-BKUYFWCQSA-N	519.941	4.346	10	40	KICB	
COc1cccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)c(O)c2)c1	902660	ZWMCHDQDMOHLDX-MUUNZHRXSA-N	529.597	4.075	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(N3CCN(c4ccccc4F)CC3)nc12	97947734	VMJLATCVACYXNJ-KQWNVCNZSA-N	561.664	4.463	10	40	KICB	
COc1ccc(N2CCN([C@H](c3cc4cc(C)cc(C)c4[nH]c3=O)c3nnnn3Cc3ccccc3)CC2)cc1	6193458	WZNKCEXBNGDIFR-GDLZYMKVSA-N	535.652	4.100	10	40	KICB	
COc1ccc(N2CCN(C(=S)NC(=O)c3cccc(OCc4ccccc4)c3)CC2)c([N+](=O)[O-])c1	14273736	SKQFYBNMAZKPAC-UHFFFAOYSA-N	506.584	4.019	10	40	KICB	
COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](c3ccc(C)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O	18177646	AHBRPXHEGVOOHM-VABKMULXSA-N	501.922	4.352	10	40	KICB	
COC(=O)C[C@H](c1cc(OC)c2c(c1)OCO2)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12	96221615	FJUUYOHQHMARPT-OAHLLOKOSA-N	506.463	4.009	10	40	KICB	biogenic
COC(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12	96222913	ZGPFHESDMPHHKL-MRXNPFEDSA-N	522.506	4.298	10	40	KICB	biogenic
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(=O)OCC)cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	97971062	ZVXBGGPLJBVXBJ-OBDCIHEFSA-N	629.735	4.400	10	40	KICB	
CN1C(=O)C(=Cc2ccc(Sc3nnc(COc4ccccc4)n3-c3ccccc3)c([N+](=O)[O-])c2)C(=O)N(C)C1=O	103767265	DRXVUXQMJPRNNX-UHFFFAOYSA-N	570.587	4.340	10	40	KICB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1cccc(OC)c1	111469432	KYJQSBOVNODLEH-ZYSRDMNZSA-N	539.657	4.010	10	40	KICB	
Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O	408691331	ZJHHYVOQCCEMOE-SVMVAKDDSA-N	559.844	4.455	10	40	KICB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c(OCc2cccc([N+](=O)[O-])c2)c1	408804179	CWEVFBRIYQFGSR-LPYMAVHISA-N	501.495	4.466	10	40	KICB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCc1c(C)ccc2ccccc12	408876989	SIDGDMBTLCHDIZ-UHFFFAOYSA-N	511.397	4.413	10	40	KICB	
CCN(CCc1c(/C=C2\C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)[nH]c2ccccc12)C(C)=O	9129206	WAQKRZZHZDOTCS-XSFVSMFZSA-N	512.488	4.264	10	40	KICB	
CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Br)c1OCCOc1ccc(C)cc1	13940301	WRVOWPGOYKAYPZ-UHFFFAOYSA-N	517.376	4.048	10	40	KICB	
CCN1C(=O)C(=Cc2ccc(OC(=O)c3cccc(Br)c3)c(OC)c2)C(=O)N(CC)C1=S	16681451	UVFKNVMKCSMNHG-UHFFFAOYSA-N	517.401	4.056	10	40	KICB	
COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)c2C)c(OC)c1	103592012	LDVSYDULIXCAJL-CCDSKFFISA-N	534.642	4.133	10	40	KICB	
Cc1cc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc(C)c1Br	408690636	WEOAYTFUYOWOKA-BDTNDASRSA-N	539.426	4.110	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1	408695388	SXQWQPBRMOYVHT-XDHOZWIPSA-N	603.413	4.112	10	40	KICB	
CCOc1cccc(N2C(=O)/C(=C/c3cc(Br)c(OC)c(Br)c3)C(=O)NC2=S)c1	408743186	ZOPSUZJWWRNLCE-VGOFMYFVSA-N	540.233	4.450	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1	408896759	HVKSQLGHAQFJFK-FYJGNVAPSA-N	519.941	4.341	10	40	KICB	
COc1ccc(OCCOc2c(Cl)cc(/C=C3\C(=N)N4N=C(C)SC4=NC3=O)cc2OC)cc1	32109354	VVVYHDCBDDCPDK-ZMXGXFJXSA-N	500.964	4.454	10	40	KICB	
CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C\NN1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O	408536800	YEUUYWWDZRGPKQ-JCMHNJIXSA-N	574.435	4.155	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br	409079601	LDIZCOIABMMZOP-ITIZVALFSA-N	600.535	4.034	10	40	KICB	
O=C(Cn1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c2cc(Br)ccc21)NC[C@@H]1CCCO1	409132116	OVPSXJVLXIGHHU-INQBOMSASA-N	571.522	4.495	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(C)c(Cl)c4)cc3)C2=O)cc1	409270395	FHEGEBLFNAGHRI-LPYMAVHISA-N	519.941	4.341	10	40	KICB	
O=C(NCc1ccccc1)[C@H](c1ccc(O)c(O)c1)N(C(=O)Cn1nnc2ccccc21)c1cccc(F)c1	922662	GTCGPPJALCTNEI-NDEPHWFRSA-N	525.540	4.073	10	40	KICB	
COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCCC3)cc2)c2ccc(F)cc2)cc1	13631829	XFKMMGBLTXEDBJ-UHFFFAOYSA-N	511.619	4.336	10	40	KICB	
COC(=O)c1c(-n2c(C)cc(/C=C3\C(=O)N(C)c4ccc(S(=O)(=O)N5CCOCC5)cc43)c2C)sc(C)c1C	101377546	UZWGHHQSOQDAGV-UCQKPKSFSA-N	569.705	4.097	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408797130	BJMDWAUIJCONJT-DJKKODMXSA-N	552.883	4.410	10	40	KICB	
COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1	409014938	QVOYSJAKWRLHGS-MFKUBSTISA-N	527.577	4.337	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(F)cc1	409023105	DLFADTQYZLKGMD-XQNWCSQWSA-N	558.679	4.411	10	40	KICB	
O=C1NC(=O)C(=Cc2cc(Br)c(OCc3cccc(Cl)c3)c(Br)c2)C(=O)N1	409044294	BQKCESZKCHTQFU-UHFFFAOYSA-N	514.557	4.193	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(Br)c(Br)c1O	409239560	YZZHQZGREUVHGX-KPKJPENVSA-N	540.233	4.374	10	40	KICB	
COc1ccc(N2CCN(C(=O)[C@H](C)Nc3ccc4c(cc3=O)[C@@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)CC2)cc1	108450513	WSQAMABLBJEJGH-KMRXNPHXSA-N	630.742	4.021	10	40	KICB	biogenic
CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1	408880613	GBSPKAAHWSTZBS-KOEQRZSOSA-N	543.576	4.201	10	40	KICB	
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1	408949800	IWQKJCGIVWBRLA-YBFXNURJSA-N	521.323	4.423	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)Nc4ccc(F)cc4)c(OC)c3)C2=O)cc1	409362630	ITLNZGHXLAHCNW-RGVLZGJSSA-N	553.930	4.180	10	40	KICB	
COc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)cc2Cl)cc1	409381629	VAZQBJSHZXVBTI-FYJGNVAPSA-N	535.940	4.041	10	40	KICB	
COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc2c(cc1Br)OCO2	631851	DWUAYLPAXUEWNN-YVLHZVERSA-N	530.371	4.110	10	40	KICB	
O=C(NCc1ccccc1)[C@H](c1ccc(O)c(O)c1)N(C(=O)Cn1nnc2ccccc21)c1cnc2ccccc2c1	906305	YGECADKLNRDFJL-HKBQPEDESA-N	558.598	4.482	10	40	KICB	
Cc1cc(C)cc(N2C(=O)[C@H]3[C@H](c4ccccc4O)N[C@@](Cc4c[nH]c5ccccc45)(C(=O)O)[C@@H]3C2=O)c1	13556975	IIVZPOSHWDJSRJ-NHICWYPXSA-N	509.562	4.007	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@@H]1c1ccc(C)cc1	408823257	DNIJYIXMMWOSIS-WQNUKSJVSA-N	555.656	4.243	10	40	KICB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(O)c(OC)c3)C2=O)cc1OCC	409190050	VHRVFAGAAOYESN-CXUHLZMHSA-N	533.375	4.013	10	40	KICB	
CCOc1c(Br)cc(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc1OC	409328695	ZYUVPKYWRNQNCI-GZTJUZNOSA-N	523.430	4.411	10	40	KICB	
O=C(COc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O)Nc1ccc(F)cc1	409363779	NKUZZZGKOYMTBK-MOSHPQCFSA-N	538.329	4.272	10	40	KICB	
CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCCC1)c1ccc(N(C)C)cc1	6134432	WQRZADFOXPFZKD-RUZDIDTESA-N	564.712	4.126	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@H]1c1ccc(C)cc1	8445167	GLUZJZQZSIXAAM-QPJBPQEWSA-N	555.656	4.212	10	40	KICB	
COc1ccc(C)cc1-n1c(C)cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)c1C	9193233	KCQHHNNDKVBHGP-IHRWIMNOSA-N	518.643	4.433	10	40	KICB	
O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1	22913740	WNGXNLYLGITIOR-UHFFFAOYSA-N	532.710	4.113	10	40	KICB	
COc1cc([C@H]2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)cc(OC)c1OC	96115165	BUOFDUVLHVPTGD-CQSZACIVSA-N	506.463	4.044	10	40	KICB	biogenic
N=C1/C(=C\c2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12	101114711	CPZYESKCENXNAH-ZXLLOHKYSA-N	547.040	4.211	10	40	KICB	
COC(=O)C[C@H](c1cc(F)c(F)c(F)c1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	108447695	JMENGWLUNFMAEC-LLVKDONJSA-N	518.396	4.100	10	40	KICB	biogenic
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)c3cnccn3)c3cc(OC)ccc32)S1	408735876	XTMOEHCPFVYTIH-UHFFFAOYSA-N	543.648	4.000	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc(I)c1OCC	408781197	ANKLMNPBEOETNC-NTUHNPAUSA-N	600.793	4.426	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	408902293	HBKNQNUWENRHQC-VXLYETTFSA-N	586.345	4.420	10	40	KICB	
CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(I)o3)C(=O)NC2=S)cc1	408950515	FXSXANILOCCPTJ-KPKJPENVSA-N	531.169	4.040	10	40	KICB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccccc3F)C2=O)cc1OC	409378850	SJZLYJGXWDIDJN-HKWRFOASSA-N	547.539	4.307	10	40	KICB	
COc1ccc(N2CCN(C(=O)CN(C3CCCCC3)S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1	14414266	IRZSVQKFGWAHRA-UHFFFAOYSA-N	513.704	4.293	10	40	KICB	
O=C1[C@@H]2[C@@H](c3ccccc3O)N[C@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@@H]2C(=O)N1c1ccc(Cl)cc1	102780385	RGTNXIYIQXCACV-UKWMHNODSA-N	515.953	4.043	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	102869493	NMECJMQVTFBPMX-RJGXRXQPSA-N	574.383	4.321	10	40	KICB	
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(I)c1OCc1cccc(C)c1	103857141	WEYHMCIPRSWDAB-UHFFFAOYSA-N	550.418	4.176	10	40	KICB	
C[C@H](NC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccc(N2CCC[C@@H](C)C2)cc1	260843259	PWAVAOBMMQQXKP-RTWAWAEBSA-N	515.676	4.118	10	40	KICB	
CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)c(=O)n32)cc1	409044079	NSGZUAOKQMZPDB-FHMSYZJOSA-N	590.702	4.484	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4cccc(C)c4)c(Cl)c3)C2=O)cc1	409050170	ZULMXRPYGGHKJK-FYJGNVAPSA-N	519.941	4.341	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(Cl)cc1	409069715	VOMDVBHTUAXIHL-DEDYPNTBSA-N	544.944	4.312	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(OCC(=O)Nc4ccccc4C)c(OC)c3)C2=O)cc1	409262279	GLJSQUZAILLYCO-NDENLUEZSA-N	577.977	4.128	10	40	KICB	
COc1cccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccc(O)c(O)c2)c1	902658	ZWMCHDQDMOHLDX-NDEPHWFRSA-N	529.597	4.075	10	40	KICB	
CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CCN(c4ccc(OC)cc4)CC3)cc2c1	19940688	MDMMAHVOYYQEHF-HHHXNRCGSA-N	513.646	4.112	10	40	KICB	
COc1ccc(N2CCN([C@H](c3cc4c(C)cc(C)cc4[nH]c3=O)c3nnnn3C3CCCC3)CC2)cc1	19940932	HOQSNBRDFSEUKJ-HHHXNRCGSA-N	513.646	4.167	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	103842156	UBBHGSUDGBMYAP-QGMBQPNBSA-N	612.364	4.009	10	40	KICB	
Cc1c(Br)ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1C	408677560	AVRDRHAJKNZSNL-MZKRTTBSSA-N	539.426	4.110	10	40	KICB	
COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)O	409046768	LYQFHACINQKNBE-UHFFFAOYSA-N	506.898	4.395	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409048373	STDWFPLXJCZXQA-RGVLZGJSSA-N	609.389	4.358	10	40	KICB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)C1=O	409362163	FXYMCPRNGWOKGO-UYRXBGFRSA-N	507.905	4.471	10	40	KICB	
COc1ccc(N2CCN(c3nc4c(C)cccn4c(=O)c3/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)CC2)cc1	97946175	IYRRTOBRKNDWOG-PKAZHMFMSA-N	627.748	4.468	10	40	KICB	
O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Br)cc1)[C@@H](c1ccccc1O)N[C@]2(Cc1c[nH]c2ccccc12)C(=O)O	102782397	YHCPPBZNPZUVIH-MUCKBHKGSA-N	560.404	4.152	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	105499614	ZLKCSIVQLOZNKI-DLBLZJNESA-N	600.535	4.034	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	408883143	TTZNCKGHWPPMOR-KGENOOAVSA-N	520.563	4.055	10	40	KICB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)C1=O	408888873	CENOEFKETGAPJP-QNGOZBTKSA-N	520.563	4.000	10	40	KICB	
COc1ccc(Cl)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)cc3)c(=O)n21	409057863	MMMJAJGYBKKMHT-LMSRTUJASA-N	552.096	4.449	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1F	409382919	XXEZVJGEZYENGW-WQRHYEAKSA-N	598.381	4.376	10	40	KICB	
COc1cc(Br)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc([N+](=O)[O-])cc1	409409022	SOUMXHXVVMNADF-UDWIEESQSA-N	524.327	4.406	10	40	KICB	
COc1ccc(N2CCN([C@@H](c3cc4cc(C)cc(C)c4[nH]c3=O)c3nnnn3CCc3ccccc3)CC2)cc1	1362023	OYZDMBPEPAYGGF-PMERELPUSA-N	549.679	4.294	10	40	KICB	
COc1ccc(/C=C2/SC(N3CCN(C(=O)CCN4C(=O)/C(=C\c5ccc(OC)cc5)SC4=S)CC3)=NC2=O)cc1	100627031	KNIYVDDGACPPON-GJHDBBOXSA-N	608.767	4.110	10	40	KICB	
Cc1ccc(OCCCOc2ccc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)cc2)cc1	101123176	PBEFHLIJZLUAIY-DZMCVATHSA-N	531.638	4.475	10	40	KICB	
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)[C@@H]3CCCO3)c3cc(OC)ccc32)S1	105580335	HXEMWEUTPOFKSY-HNNXBMFYSA-N	535.665	4.076	10	40	KICB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(Cl)cc3Cl)c2=O)=N[C@@H]1c1ccc(N(C)C)cc1	408731481	KWOQQIGBUSKJMI-ZRELAVNMSA-N	516.450	4.280	10	40	KICB	
CCCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC	408805190	JJGJMRQZCLQQKT-OVCLIPMQSA-N	540.741	4.408	10	40	KICB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OC)cc2OS(=O)(=O)c2ccc(C)cc2)C1=O	408899886	RMEVIKQUAKUQEY-JCMHNJIXSA-N	520.563	4.000	10	40	KICB	
O=C(COc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1Br)N1CCOCC1	409374824	ADSGACIKPLJQQT-UHFFFAOYSA-N	606.498	4.435	10	40	KICB	
COc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2OC)cc1	409375463	LDXFIUPDTFCIKE-BKUYFWCQSA-N	535.940	4.041	10	40	KICB	
COC(=O)c1ccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4cccc(Br)c4)C3=O)c3ccccc32)o1	409393254	PKFJFBNTAWECNR-RGVLZGJSSA-N	548.349	4.498	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OC	1831363	LNSXFLRBHMVWBW-BIWBSIMWSA-N	545.636	4.354	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(I)cc4)o3)C2=O)cc1	408741566	QQKOBFLVAKZJGX-LDADJPATSA-N	514.275	4.226	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCC(=O)Nc3cccc(C)c3)C2=O)cc1	409038823	BIDKIFCZWSLRQS-HYARGMPZSA-N	519.941	4.341	10	40	KICB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(OCC(=O)Nc2cccc(C)c2)c1	409047211	NTFDBGMEIILVRF-LPYMAVHISA-N	564.392	4.450	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1	409053891	DILAGWYPPRBGBV-YBFXNURJSA-N	595.362	4.050	10	40	KICB	
Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2Br)cc1C	409269097	FBTMKYUFDYMTKH-MTJSOVHGSA-N	564.392	4.455	10	40	KICB	
Cc1ccccc1[C@@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12	18123203	JIPHVOKKOBXSDY-FSSWDIPSSA-N	516.347	4.453	10	40	KICB	
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1OCc1ccccc1F	59139787	NLNRNBLNXSWVPJ-UHFFFAOYSA-N	507.381	4.165	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(C(=O)O)cc1	100199687	RTPMMIUZEAXSAD-NDENLUEZSA-N	551.349	4.401	10	40	KICB	
CC[C@H](C)N1C(=O)/C(=C/c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC1=S	1451387	WVCLWBKXJFQYKH-TYYMKKSVSA-N	523.659	4.160	10	40	KICB	
COc1ccc(N2CCN([C@H](c3cc4c(C)ccc(C)c4[nH]c3=O)c3nnnn3Cc3ccccc3)CC2)cc1	6244951	SLZDINOAJFASEZ-GDLZYMKVSA-N	535.652	4.100	10	40	KICB	
O=C1/C(=C/c2ccc(SCCO)c([N+](=O)[O-])c2)SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2	32124599	PIXNLSIXTBABJU-OCKHKDLRSA-N	519.670	4.128	10	40	KICB	
O=C1c2cnc3ncnn3c2[C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H](c3cccc(Cl)c3)[C@@H]2N1Cc1ccccc1	97965938	OEGVVYYJFPDBND-AYRHNUGRSA-N	561.985	4.475	10	40	KICB	
Cc1ccc(N2C(=O)[C@@H]3[C@H](c4cccc(Br)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	100414018	YXVHEKDYNXNSHO-FKBYEOEOSA-N	516.347	4.453	10	40	KICB	
O=C1S/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1Br	106732784	PWSQEQKLGVKYSV-UNOMPAQXSA-N	504.362	4.430	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1	409066042	AFXVPPXWRWKCQX-WOJGMQOQSA-N	638.823	4.387	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	409069164	HYEMFMOIOGGIBO-VCHYOVAHSA-N	592.369	4.344	10	40	KICB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)cc([N+](=O)[O-])c1OCc1ccc(C(=O)O)cc1	409398402	AJQBJOSQUSBFIA-ODLFYWEKSA-N	538.310	4.096	10	40	KICB	
Cc1cc(C(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c(C)n1-c1cccc(C(F)(F)F)c1	14358617	GJRHGHCDZMMHPD-VDGAXYAQSA-N	504.505	4.403	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	102869488	NMECJMQVTFBPMX-VABKMULXSA-N	574.383	4.321	10	40	KICB	
CCOc1cc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc(Br)c1OCC(C)C	108422944	QENHMGFCPSOKRY-GRSHGNNSSA-N	536.448	4.336	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1	408901766	ZVIXVASUUWBPMD-UDWIEESQSA-N	564.392	4.450	10	40	KICB	
CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1I	408905395	YJPYEKXJFMMXTI-XNTDXEJSSA-N	506.365	4.138	10	40	KICB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\NC(=O)N(CC(=O)Nc4cccc(C)c4)C3=O)c2C)c1	408966379	MIOGAXJIOCESTR-IWIPYMOSSA-N	500.555	4.111	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@H]1c1cc(Br)ccc1OC	409057715	WCPUUGVFHLDFOG-RISWYLRJSA-N	596.547	4.478	10	40	KICB	
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1	409064858	QLOCCUTZLMKUKD-GHRIWEEISA-N	517.346	4.428	10	40	KICB	
COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)[C@H](C(=O)c2cc(OC)ccc2OC)[C@@]12C(=O)Nc1ccccc12	503924648	PCBLPBFRJXVKJK-INXMUBLWSA-N	524.573	4.275	10	40	KICB	biogenic
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	2055791	TXUVSHZBIQHLDT-DDBFQISPSA-N	583.710	4.452	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4)cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	8442737	NWDPSNJBWIEXRH-HSUOJCLFSA-N	553.684	4.443	10	40	KICB	
CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCc4ccc(Cl)cc4)c(Cl)c3)C(=O)N=C2S1	41077825	GYRWOFAVEMCSDF-YXZMWACZSA-N	509.396	4.194	10	40	KICB	
COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCc1ccc(Cl)cc1Cl	97964457	WFOOSNBXFDGEGV-DUIHUKNUSA-N	539.422	4.202	10	40	KICB	
COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(COc4ccc(NC(C)=O)cc4)c3)C(=O)NC2=S)cc1	100345573	JOLLOCWCPNXPBZ-BUVRLJJBSA-N	531.590	4.073	10	40	KICB	
CCOC(=O)c1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]23)cc1	100562406	QEPAUKLNPDFOAU-RJGXRXQPSA-N	529.932	4.212	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	408535364	NTZYWINSEKBGNR-ZLINDNQKSA-N	531.452	4.028	10	40	KICB	
O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)c(I)c1	408692002	BCWAOEXFHZCIQQ-GZTJUZNOSA-N	534.325	4.414	10	40	KICB	
O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(I)cc(I)c1O	408722309	GXBIKUHFJRLLAT-WUXMJOGZSA-N	610.598	4.086	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OCC)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1	408726940	CYDQUZWYAQZWIY-RYOBIWAXSA-N	569.683	4.383	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)C2=O)cc1	408815447	RHPSFISSXLRTIB-UDWIEESQSA-N	535.896	4.280	10	40	KICB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2	408898908	NEEHTPSZGJPDRE-VXLYETTFSA-N	508.328	4.252	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4cc(C)ccc4C)c(OC)c3)C2=O)cc1	409262420	DIFTYLQAPAQFGI-HYARGMPZSA-N	529.549	4.005	10	40	KICB	
CCOC(=O)COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1OCC	409361323	RWFWGNPSWUEAAV-UNOMPAQXSA-N	521.016	4.227	10	40	KICB	
COc1cc(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc(C(=O)O)cc1	409408539	RDBPBUBLTJHHJV-NDENLUEZSA-N	523.339	4.196	10	40	KICB	
Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(I)cc4)C(=O)[C@H]23)cc1	1246089	BSQRRGBVQCWNAM-FDFHNCONSA-N	563.347	4.295	10	40	KICB	
COc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCCN4C(=O)c3cccc(Cl)c3)CC2)cc1	20767314	HZVGYKNLTFJRIW-UHFFFAOYSA-N	526.058	4.453	10	40	KICB	
Cc1cc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)N4CCOCC4)C3=O)c2C)ccc1Br	106709336	AEECBAAUCARUCT-NDENLUEZSA-N	518.433	4.060	10	40	KICB	
COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C(=O)O)ccc2C)c1C	223728260	XMCLRWKDOQHHOP-JWQCQUIFSA-N	506.628	4.421	10	40	KICB	
Cc1ccc(OCCn2cc(/C=C3/C(=O)NC(=S)N(C)C3=O)c3cc(Br)ccc32)cc1C	409145130	MNNAQUNRJZTEEW-JAIQZWGSSA-N	512.429	4.356	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1C	409252995	AGZSJZLHWOCUEM-UNOMPAQXSA-N	564.392	4.450	10	40	KICB	
CCOc1c(I)cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc1OC	409351189	ZBOQCUVDYKDIOY-NTEUORMPSA-N	546.433	4.306	10	40	KICB	
COc1ccc(N2CCN(C(=O)c3ccc(N(C)S(=O)(=O)c4ccc(Cl)cc4)cc3)CC2)cc1	409406277	BGVDWHYZWYQBIG-UHFFFAOYSA-N	500.020	4.136	10	40	KICB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3cc(Cl)c(OCc4ccccc4F)c(OC)c3)C(=O)N=C2S1	97964756	RILGGLRXWCDYRX-PSKWXLMSSA-N	536.994	4.078	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1OC(C)C	408802101	CZEZEABLHOKXLP-MHWRWJLKSA-N	520.323	4.144	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCC(=O)Nc3ccccc3)C2=O)cc1	409048785	UBSYIAMSAXVEDC-KGENOOAVSA-N	550.365	4.142	10	40	KICB	
CCN(CC)c1ccc([C@@H]2N(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1	8856290	DYMDTYKJLVWRMD-AREMUKBSSA-N	513.685	4.235	10	40	KICB	
COc1ccc(OC)c(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(=O)(=O)c2ccc(C)cc2)c1	10113545	CIMVCINEJJZZQR-UHFFFAOYSA-N	523.655	4.124	10	40	KICB	
Cc1ccc(CNc2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1	16734686	JTOWINQKZXSGJS-VFAFIFLJSA-N	506.653	4.304	10	40	KICB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(F)cc1	111469754	RTRHHHYINXEAAU-HCWVEKLQSA-N	527.621	4.141	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC(=O)/C=C/c1ccccc1	408531204	GKYXJCGPEXCKFM-DXOFNELDSA-N	500.551	4.355	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)ccc1OCc1cccc(Cl)c1	408934470	AZTZNNQQHRWPLO-UDWIEESQSA-N	506.898	4.292	10	40	KICB	
COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1	409005246	SYJAWRLHSXTKAH-HYARGMPZSA-N	531.540	4.168	10	40	KICB	
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(C(=O)O)c1	409059197	VHKIWCPYTTVWOH-MOSHPQCFSA-N	521.323	4.393	10	40	KICB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)c(C)n1-c1ccc(C(=O)O)cc1	409196796	XWGTXPRAKHLKEN-PCLIKHOPSA-N	560.632	4.304	10	40	KICB	
CCOC(=O)[C@@H](C)Oc1c(OCC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c1Cl	409401387	XVFUHLQVLYQKET-YYTPVVGHSA-N	537.794	4.293	10	40	KICB	
C[C@H]1Cc2cc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)ccc2O1	100897608	IKDALLQSFLPWAU-BDIWLQQYSA-N	537.688	4.251	10	40	KICB	
C=C(Br)C(=O)Nc1ccc(S(=O)(=O)O)c(/N=N/[C@H]2C(=O)N(c3cc(Cl)c(S(=O)(=O)O)cc3Cl)N=C2C)c1	150345408	LSMLYSMFJGHQSH-OIUDPUMTSA-N	655.292	4.209	10	40	KICB	
Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccccc4I)C(=O)[C@@H]23)cc1	169617443	PGYGLHBMMKFPSD-YPAWHYETSA-N	563.347	4.295	10	40	KICB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c(OCc2ccc(C)c(C)c2)c1	408801276	UPQWFTFYCSWHFZ-FSJBWODESA-N	501.495	4.466	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OC(C)C	408866956	HPYWDRVWUBIMBH-YBEGLDIGSA-N	536.391	4.308	10	40	KICB	
CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)c(O)c(OCC)c3)C2=O)cc1	408898390	LZBFDBVDOQYNMO-BOPFTXTBSA-N	550.349	4.241	10	40	KICB	
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c2=O)=N1	409029861	CQZBCQHQLMYRJV-MKWGYRPRSA-N	542.617	4.114	10	40	KICB	
COc1ccc(N2CCN(C(=O)CN(Cc3cccc(Cl)c3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1	409051177	BJAMYKJFFMTCBB-UHFFFAOYSA-N	528.074	4.197	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)ccc3OCC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1	409270887	ILRHHBRSXAMFAU-UCQKPKSFSA-N	561.978	4.427	10	40	KICB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1C	409404445	CTZDXBBVUWMJIN-UNOMPAQXSA-N	536.382	4.245	10	40	KICB	
COc1cc(Br)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)Nc1ccc(F)cc1	409408696	RMFRCBJEYDMFAA-UDWIEESQSA-N	540.345	4.076	10	40	KICB	
CC(C)(C)Oc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)C=[N+]=[N-])cc1	58632829	CGONKNHDBTYOOC-SVBPBHIXSA-N	542.636	4.299	10	40	KICB	in-vitro
CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)C1=O	59302441	JYTMYEPVMLZNFO-KGENOOAVSA-N	500.507	4.201	10	40	KICB	
Cc1ccc(N2C(=O)[C@H]3[C@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c(Br)c1	102947424	UUGBDJJZXFXZHN-FSSWDIPSSA-N	516.347	4.453	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(C)c4)c(OC)c3)C2=O)cc1	408807441	CWYUCLKWECBQKN-HYARGMPZSA-N	500.507	4.036	10	40	KICB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(OS(=O)(=O)c2ccc(C)cc2)c1	408879156	FRLASAYIBSODIE-CIAFOILYSA-N	526.954	4.091	10	40	KICB	
COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1cc2c(cc1Br)OCO2	409002712	WKSBFIJKOOHVLN-ZDLGFXPLSA-N	500.345	4.102	10	40	KICB	
COc1c(I)cc(I)cc1/C=C1\SC(NC(=O)c2ccccc2)=NC1=O	409127154	PDBRVOAARVHIIT-ZSOIEALJSA-N	590.180	4.305	10	40	KICB	
CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3C)N(CC(=O)OC)C2=S)cc1	409143399	NCYUVMFTKJWKFG-QRQIAZFYSA-N	619.700	4.385	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C	409255522	LQGOHPPWEOARJC-JAIQZWGSSA-N	594.418	4.464	10	40	KICB	
CCOc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(C(=O)OC)o4)c4ccccc34)C(=O)NC2=S)cc1	409392841	NXILQMNDBVCQNF-HYARGMPZSA-N	529.574	4.299	10	40	KICB	
O=C(COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br)Nc1ccccc1F	409398859	FCCREJOQUCATTL-ATVHPVEESA-N	510.319	4.067	10	40	KICB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCc4cccc(C(=O)O)c4)cc3)C(=O)NC2=S)cc1	4473941	VMFXAYLPGHHRPG-HAHDFKILSA-N	502.548	4.194	10	40	KICB	
CCOC(=O)COc1c(I)cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N=C2O)cc1OCC	97960536	HDTSLBGIQUCEHM-YVLHZVERSA-N	578.359	4.447	10	40	KICB	
CCOC(=O)c1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]23)cc1	100562407	QEPAUKLNPDFOAU-VJBWXMMDSA-N	529.932	4.212	10	40	KICB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)ccc3OC(=O)c3ccc4c(c3)OCO4)C2=O)cc1	408531839	HHDYUSCHYTYHIQ-ODLFYWEKSA-N	549.333	4.372	10	40	KICB	
COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccccc3OCC(=O)Nc3ccccc3)SC2=S)cc1	409344780	HDDPZYFLUKXACR-PXLXIMEGSA-N	519.604	4.259	10	40	KICB	
COc1ccc(N2CCN(C(=O)CCc3nc4sc5c(c4c(=O)[nH]3)CC[C@H](C(C)(C)C)C5)CC2)cc1	21882622	CXQRLZJXEOPPLU-SFHVURJKSA-N	508.688	4.426	10	40	KICB	
CN(C)c1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccc3c(c2)OCO3)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1	100329814	MWMWGSWKUFSHHY-WJOKGBTCSA-N	613.694	4.493	10	40	KICB	
Cc1ccc(S(=O)(=O)NC2CCCCC2)cc1C(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	103061569	WUOWUOOLKJPRFO-UHFFFAOYSA-N	560.628	4.177	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCC(=O)O	408947355	CDJFKVMIABFRFT-FOKLQQMPSA-N	530.577	4.293	10	40	KICB	
Cc1ccccc1NC(=O)COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O	409261513	CPDOFBDOBDMKMQ-XSFVSMFZSA-N	534.366	4.441	10	40	KICB	
O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(I)c1	409371833	IOLGZWFVZNZIBT-WOJGMQOQSA-N	528.302	4.125	10	40	KICB	
CCOCCCN1C(=O)/C(=C\c2c(N3C[C@H](C)C[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S	8769324	CRJICTMTYYSERK-LNSJNNGNSA-N	500.690	4.113	10	40	KICB	
CN1C(=O)/C(=C\c2cn(Cc3cccc(F)c3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21	8777621	LUUICMDWVSRLON-QQXSKIMKSA-N	531.609	4.367	10	40	KICB	
Cc1ccc(/C=C2\SC(=S)N(CCC(=O)N3CCN(CCNC(=O)CCN4C(=O)/C(=C\c5ccc(C)cc5)SC4=S)CC3)C2=O)cc1	97945902	JTGQMSBHUJZORY-PLNZPELQSA-N	707.969	4.447	10	40	KICB	
COc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4Br)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	100124935	NPKNPXIUMNKCIR-BHIFYINESA-N	532.346	4.153	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](c4cccc(Cl)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	100524542	AUDIHLFGQUCBRC-XPWALMASSA-N	529.932	4.212	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1	408805668	BPLDDNSJCDNIJP-UDWIEESQSA-N	580.347	4.389	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)c(=O)n2[C@@H]1c1ccc(C)cc1	408834329	VWELHAZSGUBMMO-XQNWCSQWSA-N	569.683	4.301	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408884840	YNPWOAXTBXINCU-BOPFTXTBSA-N	544.944	4.230	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)cc(Br)c3OC)C2=O)cc1	409043920	AFERORXAOUNFEX-OQLLNIDSSA-N	524.165	4.285	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccccc1	409074024	RKAHAIBVEMKTQU-XDHOZWIPSA-N	636.395	4.263	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc([N+](=O)[O-])c1O	409143941	WYKGXHMBFTZCHH-LSCVHKIXSA-N	503.602	4.148	10	40	KICB	
N=C1/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12	101052988	KRLBVSXFIDGMHH-WZOBNIDESA-N	526.622	4.352	10	40	KICB	
COC(=O)COc1ccc(Br)cc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2Cl)C1=O	408851953	ODZPDYRMBMQGNH-XYOKQWHBSA-N	544.210	4.139	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1	408911717	COYHQIVGOTZPTR-OVCLIPMQSA-N	509.809	4.337	10	40	KICB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1	409098008	IBXWVTYCNATFFN-FCYPAOMHSA-N	580.110	4.265	10	40	KICB	
CC(C)CN1C(=O)/C(=C/c2cn(CC(=O)N3CCOCC3)c3ccc(Br)cc23)SC1=S	409147894	WTGIIFLWKCZGTA-OCKHKDLRSA-N	522.490	4.120	10	40	KICB	
O=C(Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c2ccccc21)Nc1ccc(F)cc1	9260027	UTOGWEIWBLGMMI-LPYMAVHISA-N	500.461	4.225	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1	103788174	FWYYFDGWIWVCJV-ASZNLBCTSA-N	587.698	4.232	10	40	KICB	
Cc1cc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(C4CCCC4)C3=O)c2C)ccc1I	408692133	DZQPJWZGWZBNLF-UNOMPAQXSA-N	517.367	4.412	10	40	KICB	
CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)C(=O)NC1=S	408777648	DYGRTJFSNQDTIW-XIEYBQDHSA-N	514.651	4.324	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OS(=O)(=O)c4ccccc4)c(Br)c3)C2=O)cc1	409069599	LUFZVEUONUTABU-WOJGMQOQSA-N	664.284	4.432	10	40	KICB	
O=C(COc1ccc(Br)cc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O)Nc1ccc(F)cc1	409364916	RJHODPPVONRODE-MOSHPQCFSA-N	554.397	4.437	10	40	KICB	
CCOc1cccc(N2C(=O)/C(=C\c3ccc(OCc4cccc(C(=O)O)c4)cc3)C(=O)NC2=S)c1	4473901	VOPHPYLWKDKRJJ-UCQKPKSFSA-N	502.548	4.194	10	40	KICB	
COc1ccc(CNc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1	16732981	KNGOLDGHBUBGKN-MOSHPQCFSA-N	504.593	4.310	10	40	KICB	
CCCCN1C(=O)/C(=C/c2c(N3CCN(c4ccc(F)cc4)CC3)nc3c(C)cccn3c2=O)SC1=S	97947283	JAYRHIMXPFMATP-XLNRJJMWSA-N	537.686	4.470	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1	100345008	XYUGDSODDSJOQQ-KGENOOAVSA-N	571.405	4.200	10	40	KICB	
COc1ccccc1N1C(=O)[C@@H]2[C@@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C1=O	102668280	SYMMNTVNUXJENJ-BHDDXSALSA-N	532.346	4.153	10	40	KICB	
COC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc(I)cc3)c2C)C1=O	409070945	ZSXYSJHUPZERQD-NWRYFCBHSA-N	510.353	4.297	10	40	KICB	
NC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Cl	409226845	VYGIKSREBHNVTM-VXLYETTFSA-N	540.359	4.103	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1	409232913	SVOFLWGPZHMOTG-YVLHZVERSA-N	554.431	4.457	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409263918	JLJSDXMWYRAZBF-NDENLUEZSA-N	627.460	4.457	10	40	KICB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c1C	9291472	NSKYMGLEIFZRNX-PERRAXLGSA-N	525.034	4.388	10	40	KICB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc(I)c1O	59136310	YXJCTNVBSYOHLP-YRNVUSSQSA-N	512.300	4.206	10	40	KICB	
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)[C@H]3CCCO3)c3ccc(C)cc32)S1	59471501	QLEVAMDTCHCVNG-OAHLLOKOSA-N	519.666	4.375	10	40	KICB	
CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCCSc4ccc(Cl)cc4)cc3)C(=O)N=C2S1	97964502	WDWPPMPLEZWNCD-YOUSBUAYSA-N	521.045	4.132	10	40	KICB	
CCOC(=O)c1ccc(NC(=O)CCN2C(=O)C[C@H](N3C(=O)/C(=C/C(C)=C/c4ccccc4)SC3=S)C2=O)cc1	101174786	AQMNLJMSJMBWEM-PQWQPHTBSA-N	577.684	4.167	10	40	KICB	
COc1ccc(CN2C(=O)[C@@]3(SC2=S)[C@@H](c2ccncc2)CN(C)[C@]32C(=O)N(C)c3ccc(Cl)cc32)cc1	101557395	PIAGVSRZVXHIRF-OFEZKSIWSA-N	565.120	4.444	10	40	KICB	
O=C(CN1C(=O)C[C@H](N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)C1=O)Nc1cccc(C(F)(F)F)c1	254896134	BYRMONTUGSKGTD-YJKXZOLRSA-N	545.564	4.229	10	40	KICB	
CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/N2N=C(c3ccc(Cl)cc3)C[C@@H]2C(=O)O)SC1=S	256055521	JPXOUMQCVMLMEX-QUYYUFTNSA-N	544.054	4.079	10	40	KICB	
CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(s/c(=C\c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c2=O)=N1	408827503	KCFBKZHRNMBMDE-VPHSIRQSSA-N	613.692	4.413	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCc1ccccc1	408950390	JRCWFRZBUMMBIT-GIJQJNRQSA-N	506.898	4.323	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccccn4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	408992851	TXKBRMAZDVSBIX-CCOQBKANSA-N	546.674	4.004	10	40	KICB	
COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1	409020983	WNTIBJBOLYSKIV-HYARGMPZSA-N	512.971	4.289	10	40	KICB	
COc1cc(/C=C2\SC(=S)NC2=O)cc(I)c1OCC(=O)Nc1ccccc1Cl	409249792	ORZAKTNNZAAOIS-NVNXTCNLSA-N	560.822	4.460	10	40	KICB	
Cc1ccc2c(CCNC(=O)[C@@H]3CCC(=O)NCCCCCOc4ccc(Cl)cc4C(=O)N3)c(C)n(C)c2c1	643570986	PQAXVKWTFMGMLD-VWLOTQADSA-N	553.103	4.365	10	40	KICB	
O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2c1c(O)cc(O)c2[C@H]1C(=O)c2c(O)cc(O)cc2O[C@@H]1c1ccc(O)cc1	26189526	IMIXFUXOSFSXPC-DETITRACSA-N	558.495	4.433	10	40	KICB	endogenous,in-man
C/C(NCCCCN[C@H](C)[C@H]1N=C(c2ccc(Cl)cc2)OC1=O)=C1\N=C(c2ccc(Cl)cc2)OC1=O	97944450	IPFLJLUJCGYYEL-BHGKIZALSA-N	529.424	4.248	10	40	KICB	
CC(C)C[C@]1(C(=O)O)N[C@@H](c2cc(Br)ccc2O)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]21	98005172	XRGPWTFBQSRQLZ-KGYLXKDPSA-N	566.246	4.237	10	40	KICB	
CCc1ccc2c(c1)[C@@]1(C(=O)N2)N(C)C[C@@H](c2cccc([N+](=O)[O-])c2)[C@]12SC(=S)N(Cc1ccco1)C2=O	98007440	BNLSNCSCPDAPFO-NJTBCWBZSA-N	548.646	4.426	10	40	KICB	
COc1ccc(N2CCN(C(=O)c3ccc(NS(=O)(=O)c4ccc(C)cc4)c(Cl)c3)CC2)cc1	216472251	ZGWKYXSGJBAKMB-UHFFFAOYSA-N	500.020	4.420	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3cccc(Cl)c3)C2=O)cc1	408797819	HCLKZSIVSYJGDW-LPYMAVHISA-N	520.925	4.381	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc(I)c1OCC	408806559	FIUBGDRKYKLVMN-MHWRWJLKSA-N	534.350	4.372	10	40	KICB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5ccc(OC)cc5)c4C)c(=O)n32)cc1OCC	408935263	NCESQTNELJKZME-UDFIABOWSA-N	587.698	4.232	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409361898	DTAXBKXEKPSQBR-JAIQZWGSSA-N	598.381	4.376	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409364551	QEAKSCXUYDUFPR-ODLFYWEKSA-N	539.972	4.337	10	40	KICB	
CCOc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1OC	852851	QPNRQSQHSHHCSX-VGOFMYFVSA-N	587.233	4.292	10	40	KICB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1cccs1	1799493	ZZWKLWAMYDIWQS-BDPRQDHOSA-N	515.660	4.063	10	40	KICB	
CCOc1cc(/C=C2/C(=O)N(C)C(=S)N=C2O)cc(Br)c1OCc1ccc(C(=O)O)cc1	97960907	CUVKNBMYIMBFQC-OVCLIPMQSA-N	519.373	4.222	10	40	KICB	
COc1ccc(N2C(=O)[C@H]3[C@@H](c4cccc(Br)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	100414015	UKTNVCORPVFHQM-BHIFYINESA-N	532.346	4.153	10	40	KICB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(C)n1-c1ccc(O)cc1	409018804	ZILCAQDCHPLEBJ-KOEQRZSOSA-N	516.623	4.185	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1	409081794	OKOGWUDOKDZMOJ-PNZYDNNZSA-N	627.517	4.078	10	40	KICB	
CCc1cccc2c(/C=C3\SC(=S)N(Cc4cccnc4)C3=O)cn(CC(=O)NCCCOC)c12	409130146	KMDBMMUQFRQQNT-XKZIYDEJSA-N	508.669	4.153	10	40	KICB	
C=CC(=O)N1c2ccc(OCC)cc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C	6631046	DNONTHAWHVLAJL-UHFFFAOYSA-N	505.639	4.473	10	40	KICB	
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCOCC3)cc2)c2cccc(Cl)c2C)cc1	10113340	ZWACHELZJCMHEB-UHFFFAOYSA-N	528.074	4.305	10	40	KICB	
Cc1ccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@@H](C(=O)NC(C)(C)C)c2ccc(N(C)C)cc2)cc1	12470726	BHRIMZVOOCPZEC-AREMUKBSSA-N	529.645	4.305	10	40	KICB	
Cc1ccc(CN2C(=O)[C@@H]3[C@@H](c4ccc(I)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	97944193	RKMGYIRQIVYSRR-RJGXRXQPSA-N	577.374	4.290	10	40	KICB	
COC(=O)c1ccc(C(=O)OC)c(/N=N/[C@@H](C(C)=O)C(=O)Nc2ccc(NC(=O)[C@@H](/N=N/c3cc(C(=O)OC)ccc3C(=O)OC)C(C)=O)cc2)c1	150345363	BZKXDIAAIOXKAH-ANOFCUARSA-N	716.660	4.193	10	40	KICB	
COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(I)c1OCc1ccc(I)cc1	164432959	CKVYPWUDYFVHIY-UHFFFAOYSA-N	648.260	4.082	10	40	KICB	
COC(=O)c1cccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4ccc(OC)cc4OC)C3=O)c3ccccc32)c1	408540957	AAAFJITWMJTHLX-OEAKJJBVSA-N	539.544	4.160	10	40	KICB	
O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1	408817362	TUQWQNRGCKGEJV-YBFXNURJSA-N	538.310	4.308	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1	408855945	GQBLNBVAUKAXRD-ASZNLBCTSA-N	563.720	4.440	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccc(C(=O)O)cc4)c(OC)c3)C2=O)cc1	409074616	UFOACGQXAFZGOQ-RGVLZGJSSA-N	656.385	4.030	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1OC	409387595	RQZSLAHGCYPUGJ-ZHZULCJRSA-N	549.967	4.431	10	40	KICB	
COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC(C)(C)C)c2ccc(N(C)C)cc2)cc1	6074960	LLDSQRLSZSYJRY-MHZLTWQESA-N	514.630	4.195	10	40	KICB	
CCCCN1C(=O)/C(=C/c2c(N3CCN(c4ccc(OC)cc4)CC3)nc3ccccn3c2=O)SC1=S	100861709	OYYZIMOOLFZBTP-PYCFMQQDSA-N	535.695	4.031	10	40	KICB	
COc1ccc(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	113624634	RFAIZMGIFARFNS-UHFFFAOYSA-N	538.626	4.024	10	40	KICB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1	408529934	DKRUEYBFCBAWLX-AQTBWJFISA-N	539.313	4.482	10	40	KICB	
COc1cccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)ccc3OC(=O)c3cc(OC)c(OC)c(OC)c3)C2=O)c1	408536250	QRRIGQHXKHKCTR-JAIQZWGSSA-N	611.401	4.369	10	40	KICB	
CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(N)=O	409225895	SIPKOADUEZHQJI-UHFFFAOYSA-N	611.392	4.137	10	40	KICB	
CN1CCN(C(=O)CN2CCC(c3ccccc3)CC2)CCOc2ccc(N3CCOCC3)cc2Cc2cccc(c2)C1=O	643568180	NRRXXAFEZGBAEQ-UHFFFAOYSA-N	596.772	4.287	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1ccccc1	2063080	UDAQUGISLYDNFS-SJJVXOANSA-N	515.610	4.345	10	40	KICB	
COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(N(C)C)cc5)c(=O)n42)c2ccccc2CC3)cc1OC	16186397	UJUOEOWPPWUISA-NULZLWRNSA-N	523.658	4.402	10	40	KICB	
O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCOCC2)cc1	100080008	MQFCQFOYCDCQIO-UHFFFAOYSA-N	534.465	4.342	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408942663	ZXJNGYRSVGWNHU-UDWIEESQSA-N	676.441	4.131	10	40	KICB	
COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(N5CCCC5)cc4)c(=O)n32)c1	409058397	NAYMFHYZKZLNGC-ACJNQYEBSA-N	550.684	4.483	10	40	KICB	
COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)c(OC)c3)SC2=S)cc1	409329048	CDDVSKVUWJQXCE-UDWIEESQSA-N	538.563	4.346	10	40	KICB	
O=C1[C@H]2[C@H](c3cccc(Br)c3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	4119521	AOSXLTXVKBUZQN-HKBOAZHASA-N	547.317	4.052	10	40	KICB	
COc1cccc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)c1OCc1ccccc1Cl	96193372	NJYUDNSDJUNHLH-STZFKDTASA-N	511.987	4.381	10	40	KICB	
COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc([N+](=O)[O-])ccc2OC)c1C	223728465	RUHIOJWBAWEPHE-DQEYMECFSA-N	523.615	4.332	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCC(=O)Nc3cccc(C)c3C)C2=O)cc1	409268922	ZRVGVWVUYRSNOU-XQNSMLJCSA-N	513.550	4.386	10	40	KICB	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)COc3ccc4c5c(c(=O)oc4c3)CCC5)c2C)cc1	3365795	ZPFKIXDPYDGVKQ-UHFFFAOYSA-N	529.545	4.281	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)c(OCC)c(OCC)c3)C2=O)cc1	100241335	JDJUYLNPPNGZCS-BOPFTXTBSA-N	550.349	4.154	10	40	KICB	
Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4cccc(Br)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	100414022	YXVHEKDYNXNSHO-FDFHNCONSA-N	516.347	4.453	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408531386	GVEHLQXCSJRGJJ-XDHOZWIPSA-N	566.320	4.252	10	40	KICB	
CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1	408531815	RMVUBKOVVGMHDR-ODLFYWEKSA-N	532.416	4.280	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc(Cl)c1OCc1cccc(F)c1	408941210	OXMUEMFXJMBJTG-VXLYETTFSA-N	524.888	4.431	10	40	KICB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCOCC4)cc3)c(=O)n2[C@H]1c1ccc(OCC)cc1	409058441	OTRVHYSQDGTTDY-QSZUEBKQSA-N	595.721	4.171	10	40	KICB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC(=O)O)c(OCC)c3)C2=O)cc1OCC	409194572	PBLJUGGEQRCHLD-VCHYOVAHSA-N	605.438	4.161	10	40	KICB	
CCOc1ccc(NS(=O)(=O)c2ccc(N/C=C3/C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc2)cc1	2740737	ZSZNEHBDSBAXJL-JCMHNJIXSA-N	540.985	4.118	10	40	KICB	
COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(N(C)C)cc5)c(=O)n42)c2ccccc2CC3)cc1OC	33621972	UJUOEOWPPWUISA-USDTVRPUSA-N	523.658	4.402	10	40	KICB	
CCOc1ccc(OCC)c(N2C(=O)N=C(O)/C(=C/c3cc(I)c(O)c(OC)c3)C2=O)c1	97960531	DCNDBXFJHSOILO-ZSOIEALJSA-N	552.321	4.310	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Br)c1OCC(=O)O	408859749	YTBGPUGPTRZVRB-IZZDOVSWSA-N	574.236	4.449	10	40	KICB	
COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1	408911060	YJAHJMMPLOZRSC-YZSQISJMSA-N	541.604	4.067	10	40	KICB	
COc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)Nc4cccc(C)c4)c4ccccc34)C(=O)NC2=S)cc1	409015156	APJNSOHHLPSKIC-BUVRLJJBSA-N	524.602	4.428	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1	409058362	OCGFAOLXYGZDGU-ZMIGGIFCSA-N	522.070	4.360	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	409069245	VIMMBRIFQMSMSZ-WOJGMQOQSA-N	547.372	4.436	10	40	KICB	
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Cl)ccc1OS(=O)(=O)c1ccccc1	409070622	CVUSKBMQVVGNRA-GHRIWEEISA-N	517.346	4.428	10	40	KICB	
O=C1NC(=O)C(=Cc2cc(I)c(OCc3cccc4ccccc34)c(I)c2)C(=O)N1	409078043	HLUVQLOFFVRAPA-UHFFFAOYSA-N	624.172	4.377	10	40	KICB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cccc(OS(=O)(=O)c4ccc(C)cc4)c3)C2=O)cc1OC	409144205	DWACZMMQKDBRGW-JLPGSUDCSA-N	564.616	4.222	10	40	KICB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(O)c(OCC)c3)C2=O)cc1OCC	409191827	OELNTUGXFFBUPN-LICLKQGHSA-N	502.951	4.294	10	40	KICB	
CCOC(=O)COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OC	409197346	CGSMLYDYCDNLIA-UHFFFAOYSA-N	516.575	4.385	10	40	KICB	
CCOc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)ccc1OCCOc1ccc(NC(C)=O)cc1	41107965	HCKYMEQHKUALOK-ZQCYNNBZSA-N	507.572	4.141	10	40	KICB	
CCc1ccc2c(c1)[C@@]1(C(=O)N2)N(C)C[C@@H](c2cccc([N+](=O)[O-])c2)[C@@]12SC(=S)N(Cc1ccco1)C2=O	98007442	BNLSNCSCPDAPFO-PUUVEUEGSA-N	548.646	4.426	10	40	KICB	
CN(C)c1ccc(/C=c2/s/c(=C\S(=O)(=O)c3ccc(Cl)cc3)n(CC(=O)c3ccc(Cl)cc3)c2=O)cc1	102909286	IYXNTHVMGABSJI-BWYHIUGVSA-N	573.523	4.206	10	40	KICB	
Cc1cc(N2C(=O)NC(=O)/C(=C\c3ccc(I)cc3)C2=O)ccc1Br	408761844	HJYYXPMOLQOEBS-NTEUORMPSA-N	511.113	4.029	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc(I)c1OCC	408815215	PRJQLRLSTNYMQI-MHWRWJLKSA-N	534.350	4.372	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1cccc(C)c1	408956409	WNPSHGFJYBTGHB-CIAFOILYSA-N	500.507	4.368	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(OC)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409049203	YEMUQFLAKTVFGJ-PEPUGYCWSA-N	659.761	4.165	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1C	409263628	NFUILLQVVHRXAS-GRSHGNNSSA-N	609.389	4.358	10	40	KICB	
COc1ccc(CCN2C(=O)/C(=C/c3c(NC(C)C)nc4c(C)cccn4c3=O)SC2=S)cc1OC	2345956	FRHCTCQZDMXGCK-STZFKDTASA-N	524.668	4.284	10	40	KICB	
O=C1[C@H]2[C@H](c3cccc(Br)c3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(F)cc1	8397507	NBXPXDCZYDEKLP-HKBOAZHASA-N	520.310	4.283	10	40	KICB	
COc1ccc(N2CCN(C(=O)CSc3nc4ccsc4c(=O)n3Cc3ccccc3F)CC2)cc1	67689915	CCZYHHWGOSXISR-UHFFFAOYSA-N	524.643	4.095	10	40	KICB	
COC(=O)c1c(-n2c(C)cc(/C=C3\C(=O)N(C)c4ccc(S(=O)(=O)N5CCOCC5)cc43)c2C)sc2c1CCCC2	101378588	MCAHHXAYYMXNPJ-JLPGSUDCSA-N	595.743	4.359	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	103846304	ZUQBPJYYCNWPPO-QGMBQPNBSA-N	596.346	4.340	10	40	KICB	
COc1ccc(N2CCN(C(=O)[C@H](C)Nc3ccc4c(cc3=O)[C@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)CC2)cc1	252570424	WSQAMABLBJEJGH-RBTNQOKQSA-N	630.742	4.021	10	40	KICB	
CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1Br	408843880	AZOCWCPCHHUGJZ-LZYBPNLTSA-N	580.229	4.437	10	40	KICB	
COC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1cc(Cl)ccc1OC	408948314	RDUGGZAGXPIIEH-ZFWDJNJRSA-N	593.061	4.386	10	40	KICB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(s/c(=C/c3ccc(N4CCCC4)cc3)c2=O)=N1	409056228	FVTXAKLOLWPNDO-BSGTYYGESA-N	531.678	4.187	10	40	KICB	
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C\c1cccc(OS(=O)(=O)c2ccc(Cl)cc2)c1	409068994	VDRZAGXPOCJMGE-AQTBWJFISA-N	517.346	4.428	10	40	KICB	
O=C(NC1CCCCC1)[C@@H](c1ccc(O)c(O)c1)N(C(=O)Cn1nnc2ccccc21)c1cccc(F)c1	902684	IBRHDOPJQAUIHN-HHHXNRCGSA-N	517.561	4.205	10	40	KICB	
COc1ccc(CNC(=O)[C@@H](c2ccc(N(C)C)cc2)N(C(=O)c2snc(C(N)=O)c2N)c2cc(C)cc(C)c2)cc1	6193941	NHMKZSQCRNSNRG-HHHXNRCGSA-N	586.718	4.220	10	40	KICB	
CN1C(=O)C(=Cc2cc(I)c(OCc3cccc(F)c3)c(I)c2)C(=O)N(C)C1=S	164430804	XZADDZROCFUQAL-UHFFFAOYSA-N	636.224	4.213	10	40	KICB	
CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N1CCOCC1	408532403	MOAUUMKIKNAUHE-VBKFSLOCSA-N	525.407	4.203	10	40	KICB	
Cc1cccc(COc2c(Br)cc(/C=C3\C(=O)NC(=S)N(C)C3=O)cc2Br)c1	408911640	APUARWYVINUYRV-VGOFMYFVSA-N	524.234	4.356	10	40	KICB	
COc1ccccc1NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1	409377399	HUAVYWCRYWNTJY-XSFVSMFZSA-N	550.365	4.142	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(OC)cc1	409383152	UWLKWROIFWQKKU-XKZIYDEJSA-N	652.454	4.327	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(C(=O)O)o1	409385427	LSBYWBVJGXGIBL-LICLKQGHSA-N	557.378	4.159	10	40	KICB	
CC(C)CN1C(=O)/C(=C\c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC1=S	9541037	AXOYTXFAIBTQFE-RCCKNPSSSA-N	523.659	4.017	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1	100189641	WZDFHMILTLGENP-YNMQQHPQSA-N	579.719	4.148	10	40	KICB	
CCCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1OCC	408817616	UFZRXIBBIWWKBP-GZTJUZNOSA-N	534.350	4.454	10	40	KICB	
COc1cc([N+](=O)[O-])cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c1O	408952589	OJRBUUBXBXNHOI-LSHDLFTRSA-N	517.538	4.443	10	40	KICB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c1C	409142107	LGAHFXSDQDDLGU-UDWIEESQSA-N	504.568	4.459	10	40	KICB	
O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(I)c1	409372868	NLAZAPPBXVJGHH-VCHYOVAHSA-N	546.292	4.264	10	40	KICB	
COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H](c3cccc(C)c3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O	18249903	OYLSGWYWXMSVDU-XPWALMASSA-N	501.922	4.352	10	40	KICB	
Cc1ccc(COc2ccc(/C=C3/C(=N)N4N=C(CC(=O)N5CCOCC5)SC4=NC3=O)cc2Cl)cc1	101102566	OWLUWOBUZXZRRZ-XQWBAOJFSA-N	538.029	4.095	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	408533161	JMPZHEVRBWJDBT-PZBCRXGTSA-N	545.479	4.418	10	40	KICB	
O=C(O)COc1ccc(Br)cc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O	409039307	CKVANXFVYWEDNV-UHFFFAOYSA-N	521.323	4.496	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(C)cc4)c(Cl)c3)C2=O)cc1	409226167	PIYFTLUYVOTUGC-FYJGNVAPSA-N	547.951	4.119	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C	409254791	FZBQZNTVEJCJEP-JAIQZWGSSA-N	594.418	4.464	10	40	KICB	
Cc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Br	409258143	WRAGXKHECIBFOV-UYRXBGFRSA-N	534.366	4.441	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)N1CCCC1	409355795	LJYFMFMNOCVZSI-STZFKDTASA-N	546.070	4.286	10	40	KICB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1	409400946	WGLJXFDLJUYZIH-ZDLGFXPLSA-N	539.298	4.306	10	40	KICB	
CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)c1	1876620	LAXFUYDCYDGAKO-VQYZLWMVSA-N	554.719	4.170	10	40	KICB	
CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCC(C(N)=O)CC3)=NC2=O)c1	13514474	ATQCNMHMDAQGAW-KQWNVCNZSA-N	501.612	4.106	10	40	KICB	
O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c1cc(O)c(O)c2c(=O)c(O)cc([C@H]3Oc4cc(O)c(O)cc4C[C@H]3OC(=O)c3cc(O)c(O)c(O)c3)cc12)c1cc(O)c(O)c(O)c1	150339283	FSBSEOILEKZRTH-JZWGTZJTSA-N	868.709	4.176	10	40	KICB	
COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(OC)cc2[N+](=O)[O-])c1C	223727896	XABWLWUAEUUWMU-JWQCQUIFSA-N	523.615	4.332	10	40	KICB	
CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN(C)CCO)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C	263605849	QFLPZXIHCBNNDG-ZOSQTRRUSA-N	784.900	4.178	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1cccc(C(=O)O)c1	408694564	JTNVQWMGGPRWKO-YBFXNURJSA-N	512.946	4.420	10	40	KICB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2Cl)cc1	408882035	PSJICNQNFQMBFB-UYRXBGFRSA-N	512.996	4.247	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4cccc(C)c4)c(OCC)c3)C2=O)cc1	409048649	UCAAUEKQYJAXHU-LFVJCYFKSA-N	543.576	4.476	10	40	KICB	
CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(I)c1OC	409180602	XVBKFQSHPBCOLV-LFIBNONCSA-N	540.404	4.245	10	40	KICB	
COc1ccccc1NC(=O)COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1	409380072	GVMALEDTDMCEQL-DEDYPNTBSA-N	519.941	4.341	10	40	KICB	
O=C(Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c2ccccc21)Nc1ccc(F)cc1	13550181	UKGDDVQIKJTJKF-DEDYPNTBSA-N	516.529	4.390	10	40	KICB	
O=C1C[C@H](c2cc(Cl)cc3c2OCOC3)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1	108448007	MFKONQFDLJACHR-CYBMUJFWSA-N	524.865	4.243	10	40	KICB	biogenic
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@@H]1c1ccc(F)cc1	408841053	HKMAEXJVHGPLGN-LMSRTUJASA-N	559.619	4.043	10	40	KICB	
O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(C(=O)O)cc1	409073047	FYNJDKCGNSAADB-RGVLZGJSSA-N	521.869	4.192	10	40	KICB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1	409226464	TXWNWCYCIVARQI-FYJGNVAPSA-N	579.363	4.350	10	40	KICB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)C1=O	409363157	JXOHJVNSFVBLEF-CIAFOILYSA-N	507.905	4.471	10	40	KICB	
COc1ccccc1NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1	409384290	CNFNWXNLCBMXRP-DEDYPNTBSA-N	519.941	4.341	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@@H]1c1ccc(C)cc1	8445165	GLUZJZQZSIXAAM-QTTRZTASSA-N	555.656	4.212	10	40	KICB	
CN(C)c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc1	59678151	FELDJQVJDLYMHR-QPJBPQEWSA-N	508.603	4.293	10	40	KICB	
CCN(CC)c1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(Cc2cccs2)C(=O)Cn2nnc3ccccc32)cc1	100336541	SABBRXZRAHQZII-OUTSHDOLSA-N	560.724	4.404	10	40	KICB	
O=C1c2ccccc2C(=O)c2c(O)c(Nc3ccc(S(=O)(=O)O)cc3)cc(Nc3ccc(S(=O)(=O)O)cc3)c21	111391176	LUHXAYBRFPDKFS-UHFFFAOYSA-N	566.569	4.148	10	40	KICB	
O=c1sc2cc(S(=O)(=O)NCc3ccc(N4CCOCC4)cc3)ccc2n1Cc1ccccc1Cl	225802158	KKVGLTJVQKHERY-UHFFFAOYSA-N	530.071	4.080	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(C(=O)O)cc1	408763847	KRGHZCWQIZFTSX-JAIQZWGSSA-N	506.898	4.292	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1	408888815	BEZRRIBKLQBZDS-PXLXIMEGSA-N	540.981	4.481	10	40	KICB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c(C)c1	409258747	VUVABLZRCSELTI-BKUYFWCQSA-N	519.941	4.346	10	40	KICB	
COc1cc(Br)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)Nc1ccccc1C	409404487	DCCXTLXCBAHSAV-DEDYPNTBSA-N	536.382	4.245	10	40	KICB	
COc1ccc(N2CCN(c3nc(C)c4c(n3)C[C@@H](c3cc(OC)c(OC)c(OC)c3)CC4=O)CC2)cc1	20101918	HVKRGVAXLSEEOI-LJQANCHMSA-N	518.614	4.059	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4Br)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	100416806	ZASFDPRXZLMBFX-VABKMULXSA-N	574.383	4.321	10	40	KICB	
Cc1cc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)N4CCOCC4)C3=O)c2C)cc(C)c1Br	106711540	NCBPDPDFCFPHRZ-NDENLUEZSA-N	532.460	4.369	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	408858466	SHRPECFECPINDC-FYJGNVAPSA-N	505.458	4.378	10	40	KICB	
CCOc1ccc(N(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)S(=O)(=O)c2ccc(SC)cc2)cc1	408921750	WNKLFXITSZHTLC-UHFFFAOYSA-N	555.722	4.360	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1cccc(F)c1	408934310	DRFUFZBTLUCYIW-FYJGNVAPSA-N	505.458	4.378	10	40	KICB	
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409088375	IZDSDPHFLHMAIG-UHFFFAOYSA-N	591.236	4.159	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCC(=O)N1CCOCC1	409242469	VDTOTMNALUTSFU-MOSHPQCFSA-N	563.495	4.410	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408537719	WTDPYTCFDJBRQS-KGENOOAVSA-N	515.478	4.188	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1	409049605	XETKHKMHGPFTAA-FYJGNVAPSA-N	622.428	4.318	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1	409056390	LXIWZNCDDVMFRM-RGVLZGJSSA-N	609.389	4.440	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C(=O)O)cc4)c(OCC)c3)C2=O)cc1	409064486	HHKDDNXNLXPTEH-HZHRSRAPSA-N	530.533	4.428	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1C	409266652	XSKVZYLVIGPQDK-QNGOZBTKSA-N	515.591	4.243	10	40	KICB	
CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(I)c1OCC(=O)OC	409344277	IQEMFDNHHQLKRJ-LICLKQGHSA-N	632.885	4.441	10	40	KICB	
COC(=O)c1ccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c3ccccc32)o1	409392419	MKVVZWKRPIOLQW-UDWIEESQSA-N	503.898	4.389	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(N3CCN(c4ccccc4)CC3)nc12	100870228	BEPQQMSLAFKAKJ-QJOMJCCJSA-N	543.674	4.324	10	40	KICB	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OCc1ccc(C)cc1	101394279	CURPSDCPVHNWIG-ONAIEWRJSA-N	533.031	4.247	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OC(C)C	408803432	OTNCAVXZRAMMCX-OVCLIPMQSA-N	540.741	4.407	10	40	KICB	
CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OCC	408858630	RAHUVKFIOCOJGP-VCHYOVAHSA-N	545.386	4.073	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCc1ccc(F)cc1	408952520	ODAXWPJHPZBGTG-QGMBQPNBSA-N	616.339	4.413	10	40	KICB	
CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(Br)c2)n2c(s/c(=C/c3ccc(N4CCOCC4)cc3)c2=O)=N1	409057551	HIDDZPLAQKAKPP-CSJROMOCSA-N	626.573	4.186	10	40	KICB	
Cc1cccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2Cl)c1	409260700	UXHVGVIEKAWTPM-MOSHPQCFSA-N	505.983	4.497	10	40	KICB	
COc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Br	409380031	GEPDKZOAOBRYTC-PDGQHHTCSA-N	595.362	4.050	10	40	KICB	
Cc1c(NC=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(=O)n(-c2ccccc2)n1C	1307339	WGTZLSDCADJRGH-UHFFFAOYSA-N	509.591	4.145	10	40	KICB	
CCCCCCN1C(=O)/C(=C/c2c(NCCCn3ccnc3)nc3c(C)cccn3c2=O)SC1=S	8858069	NDKXHCZKJBTSFH-SILNSSARSA-N	510.689	4.483	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccccc1OC	408724820	DAXUSHQKWOIEIG-QPJBPQEWSA-N	572.643	4.123	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)ccc1OCc1cccc(F)c1	408942599	ZMWQJVRDYRZRIL-FYJGNVAPSA-N	504.470	4.168	10	40	KICB	
Cn1c(=O)n(C)c2cc(/C=C3\C(=O)NC(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)ccc21	408950330	JGCHWXSMLWVRMH-FSJBWODESA-N	510.594	4.011	10	40	KICB	
Cc1cc(N2CCCC2)ccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(N3CCOCC3)cc2)C1=O	408962252	XRECOOLOOIVSIT-ULJHMMPZSA-N	506.628	4.107	10	40	KICB	
O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Cl)c(OS(=O)(=O)c2ccccc2)c(Cl)c1	409075223	PXANDXYSKQTPQY-LICLKQGHSA-N	562.343	4.336	10	40	KICB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@H]1c1ccccc1OC	409105878	JNEXFJSZOSMSHF-QYTZQGLJSA-N	544.721	4.021	10	40	KICB	
COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4OC)C3=O)c2C)c1C	409171646	BUYNSVRYPNKVFN-XSFVSMFZSA-N	503.580	4.029	10	40	KICB	
COC(=O)COc1ccc(Br)cc1/C=C1\SC(=S)N(c2ccc([N+](=O)[O-])cc2)C1=O	409327593	LBUTZZAGGAYUCV-SXGWCWSVSA-N	509.359	4.315	10	40	KICB	
COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OS(=O)(=O)c4ccccc4)c(OC)c3)SC2=S)cc1	409343394	HEWLGRWRXMBRAS-JCMHNJIXSA-N	556.643	4.018	10	40	KICB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1	2063523	XDOUIMCIFZEDMR-IGSWSUAKSA-N	554.510	4.360	10	40	KICB	
O=C1/C(=C/c2ccc(I)o2)C(O)=NC(=S)N1c1ccc(Br)cc1	59198490	GHXIOAHOSCCRQN-YRNVUSSQSA-N	503.115	4.318	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OS(=O)(=O)c1ccccc1	409067699	PLGREVLMEOYPKE-GZTJUZNOSA-N	547.372	4.436	10	40	KICB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1	409070996	ZWEPOOCXSHLUEP-LDADJPATSA-N	517.346	4.428	10	40	KICB	
O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12	409190831	REHPSQWGWBZERT-LPYMAVHISA-N	526.530	4.127	10	40	KICB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1NC(=O)c1ccccc1	409207895	CEOGEDCWTZDDAT-UDWIEESQSA-N	523.412	4.083	10	40	KICB	
O=C(COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O)Nc1ccc(Cl)cc1	409217523	CWKZEQGXDWIBGS-UDWIEESQSA-N	570.783	4.492	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409363291	LHNSIPQRBWOASE-GRSHGNNSSA-N	568.901	4.080	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(OCC(=O)Nc4ccccc4F)c(OC)c3)C2=O)cc1	409379887	AYWGYKFRQLBNQV-WQRHYEAKSA-N	626.391	4.067	10	40	KICB	
CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](CNc1cc(C)c(C)cc1/N=N/c1ccc([N+](=O)[O-])cc1)OC(C)=O	4522857	IHOVYQIUFLJFMV-RBSCGTJYSA-N	572.571	4.397	10	40	KICB	
COC(=O)C(Cc1ccc2c(c1)C(=O)c1ccccc1C2=O)(Cc1ccc2c(c1)C(=O)c1ccccc1C2=O)C(=O)OC	8453467	QMOXYMMCCBRYKD-UHFFFAOYSA-N	572.569	4.355	10	40	KICB	
CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c1	25397284	NPYUVQIXQPRQSJ-UHFFFAOYSA-N	501.580	4.059	10	40	KICB	
CN1C(=O)C(=Cc2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)C(=O)N(C)C1=S	103856201	MWULMPHCYHBUNK-UHFFFAOYSA-N	568.243	4.088	10	40	KICB	
O=C(O[C@@H]1Cc2cc(O)c(O)cc2O[C@H]1c1cc(O)c(=O)c2c(O)c(O)cc([C@H]3Oc4cc(O)cc(O)c4C[C@H]3OC(=O)c3cc(O)c(O)c(O)c3)c2c1)c1cc(O)c(O)c(O)c1	150339285	FSBSEOILEKZRTH-OXSAIQKVSA-N	868.709	4.176	10	40	KICB	
COc1ccc(N2CCN(C(=O)c3ccc(CN(c4cc(C)ccc4C)S(C)(=O)=O)cc3)CC2)cc1	225212600	NBVJATYKYYBTHV-UHFFFAOYSA-N	507.656	4.241	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	408916324	BXJNVFRAEBYQGR-GRSHGNNSSA-N	557.962	4.476	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409362491	GQHSYFQDOXCNHS-OCKHKDLRSA-N	613.352	4.189	10	40	KICB	
COc1ccc(CN2C(=O)[C@H]3[C@@H](c4ccc(Cl)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	9777924	GNLLPJOVKLZKET-XPWALMASSA-N	501.922	4.039	10	40	KICB	
O=C1NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C(=O)/C1=C\c1cc(Br)ccc1OC(=O)c1ccc2c(c1)OCO2	408536535	RVLZBWJRWCIDGM-KQFSHUCBSA-N	553.365	4.047	10	40	KICB	
COc1cc(Br)cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c1O	408742903	TZXATYWBKISFCQ-QPEQYQDCSA-N	526.206	4.066	10	40	KICB	
COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1	408785761	YZQKRIMNEMZCEX-QCOJXGBLSA-N	518.610	4.361	10	40	KICB	
CCOC(=O)COc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(C)c(Cl)c2)C1=O	408986327	BVJBVBPGIDYWHQ-SXGWCWSVSA-N	521.751	4.019	10	40	KICB	
CCOCCCN1C(=O)/C(=C/c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	97947296	CQEKYOPWRSBJFA-QJOMJCCJSA-N	567.712	4.096	10	40	KICB	
COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(I)c1OCc1ccccc1Cl	103855679	CWDKOLZQWKZPIR-UHFFFAOYSA-N	556.809	4.131	10	40	KICB	
O=C1[C@H]2[C@@H](C(=O)N1Cc1ccccc1)[C@@H](c1ccc(Br)cc1)OC21C(=O)c2ccccc2C1=O	169617692	VGHAMNDXUYCJOT-YPAWHYETSA-N	516.347	4.140	10	40	KICB	
COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C	223039926	UTFAXUVUKLEXMJ-SVBPBHIXSA-N	505.688	4.335	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	408884956	WEKGQUWPGJPJHZ-PXLXIMEGSA-N	520.563	4.136	10	40	KICB	
COc1cccc(OCCOc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2OC)c1	9434905	KZOMLHZHTGZBPW-HMAPJEAMSA-N	522.941	4.481	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1ccc(Cl)cc1	59418473	IEOROJKAXCEKHB-IGSWSUAKSA-N	526.058	4.004	10	40	KICB	
O=C1C[C@@H](c2ccccc2Br)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1	96221058	OZTYHYCCVVRPNN-LBPRGKRZSA-N	511.280	4.486	10	40	KICB	biogenic
Cc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c(C)n1-c1cccc2ccccc12	102761702	BLRPHYQFLSGWSN-CSEHATQYSA-N	526.622	4.115	10	40	KICB	
COc1cc(COc2c(Br)cc(C=C3C(=O)NC(=O)NC3=O)cc2OC)ccc1OCc1ccccc1	408537382	DHGUQLRQZLBNEP-UHFFFAOYSA-N	567.392	4.374	10	40	KICB	
COC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccccc3)CCCC4)c2C)C1=O	408548914	NHFOOCHOZXTVLD-KGENOOAVSA-N	532.622	4.352	10	40	KICB	
CCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Br	409046044	ICRFBGCCHLMGTG-RIYZIHGNSA-N	524.165	4.372	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OS(=O)(=O)c1ccccc1	409070863	ZOJRYSKTDPUEIF-UDWIEESQSA-N	632.432	4.351	10	40	KICB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCC(=O)Nc4ccccc4OC)c3)C2=O)cc1OC	409386265	MDXXJUVHQQPRQX-JWGURIENSA-N	559.575	4.177	10	40	KICB	
O=C1[C@@H]2[C@@H](c3cccc(Br)c3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	33353557	AOSXLTXVKBUZQN-PCCBWWKXSA-N	547.317	4.052	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1ccc(Cl)cc1	59418472	IEOROJKAXCEKHB-YMSBRDKKSA-N	526.058	4.004	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(CC)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	96298813	RYWBKIOCJMLTKQ-DSNGMDLFSA-N	523.541	4.121	10	40	KICB	
COc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2OC)cc1	100711419	VHLPDPVJFCWVES-SBXLSMMXSA-N	520.489	4.343	10	40	KICB	
C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1	103102132	PBTYBADWMXRNGJ-IBGZPJMESA-N	580.618	4.397	10	40	KICB	
CCOC(=O)CN1C(=O)S/C(=C/c2ccc(N(CC)CC)cc2OCC(=O)Nc2cccc([N+](=O)[O-])c2)C1=O	205736918	UHXPVNBDFYCVFA-WSDLNYQXSA-N	556.597	4.058	10	40	KICB	
COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1cc(C)n(-c2ccc([N+](=O)[O-])cc2)c1C	409061878	JNAKWVQUQPFBPU-UCQKPKSFSA-N	520.567	4.159	10	40	KICB	
O=C(COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O)Nc1ccccc1F	409378299	NMQBIKKZEQLIKG-LDADJPATSA-N	511.868	4.302	10	40	KICB	
COc1cc(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1Oc1ccc([N+](=O)[O-])cn1	409404875	FEYIQLFTLBLJQW-YVLHZVERSA-N	511.288	4.015	10	40	KICB	
CCOc1ccc(OCC)c(N2C(=O)N=C(O)/C(=C\c3cc(I)c(O)c(OC)c3)C2=O)c1	977326	DCNDBXFJHSOILO-RIYZIHGNSA-N	552.321	4.310	10	40	KICB	
CCOCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(OC)cc2)C1=O	8859266	PFGQWIRWDOHNRI-QNGOZBTKSA-N	524.668	4.251	10	40	KICB	
COc1ccccc1NC(=O)[C@@H](/N=N/c1ccc(-c2nc3ccc(C)c(S(=O)(=O)O)c3s2)cc1S(=O)(=O)O)C(C)=O	95731740	JEPNNQGUMUZZHF-GHFCYRQVSA-N	618.671	4.454	10	40	KICB	
COC(=O)C[C@@H](c1ccc(OC(C)C)cc1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	96114041	QVAIQTXCQZTXTG-KRWDZBQOSA-N	522.506	4.470	10	40	KICB	biogenic
O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1cc(C(F)(F)F)ccc1Cl	408690202	UFXYKFAZLFHFNU-LVCYWYKZSA-N	534.918	4.403	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3ccccc3Cl)C2=O)cc1	408884464	XFTNDGKCEKXTKK-FYJGNVAPSA-N	520.925	4.381	10	40	KICB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5ccc(NC(C)=O)cc5)c4C)c(=O)n32)cc1OCC	408935280	NFPPXZMTGZIQKS-HJRUQSCCSA-N	614.724	4.181	10	40	KICB	
COc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O	409379194	VOZTUBMORUKDFT-RGEXLXHISA-N	550.365	4.142	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(C(=O)O)o1	409386613	VTEFKTHWRBFSHK-LICLKQGHSA-N	512.927	4.050	10	40	KICB	
CN(C)c1ccc([C@@H](c2nnnn2Cc2ccc(F)cc2)N2CCN(c3nc4ccccc4s3)CC2)cc1	13496353	ODJZAFKLRXVZBM-SANMLTNESA-N	528.661	4.448	10	40	KICB	
COc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4Br)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1	101483882	NPKNPXIUMNKCIR-BHDDXSALSA-N	532.346	4.153	10	40	KICB	
CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC	408988062	QGZNIOLLXRLKQT-VGOFMYFVSA-N	540.741	4.327	10	40	KICB	
COC(=O)COc1c(I)cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1OC	409346598	LQRKYPVMXBRUHN-WQRHYEAKSA-N	584.457	4.323	10	40	KICB	
COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N(CCO)Cc3ccccc3)C2=O)cc1	8820118	LOIIJYMZDDTDAE-NKFKGCMQSA-N	526.680	4.256	10	40	KICB	
COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)O)c(Cl)c4)c3C)C(=O)NC2=S)cc1	59248180	XVEGVMKFFRWZMD-RGVLZGJSSA-N	509.971	4.286	10	40	KICB	
CC(C)CN(Cc1c(O)c(CN(CC(C)C)CC(C)C)c2occ(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)c(=O)c2c1O)CC(C)C	150344931	ZIRVAXSEFMJJME-BVBIKTOJSA-N	714.897	4.278	10	40	KICB	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3cc(I)c(NC)c(I)c3)C2=O)c1	164341357	YVEYXZFFHFEBGZ-RIYZIHGNSA-N	661.234	4.401	10	40	KICB	
COc1ccc(N/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)cc1CN1C(=O)c2ccccc2C1=O	408536696	XJUVNJRHVFAYHV-FYJGNVAPSA-N	603.429	4.450	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1	408554254	RAWCNNZEWWTZKP-UNOMPAQXSA-N	568.369	4.464	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1O[C@H](C)CC	408695104	PIMZFDMZDIIADB-BVTUPMQUSA-N	526.371	4.272	10	40	KICB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5ccc(C)c([N+](=O)[O-])c5)c4C)c(=O)n32)cc1OCC	408943049	XWWOMOLMTAWSEW-MGQZUQOPSA-N	616.696	4.440	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)Nc4cccc(C)c4)c(OC)c3)C2=O)cc1	409048214	RLNNFBDKABEELM-CIAFOILYSA-N	549.967	4.350	10	40	KICB	
CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1	409063835	NMFXOHNXTCURNA-BUVRLJJBSA-N	557.563	4.125	10	40	KICB	
Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C2=O)c(C)c1	409373327	GYMGMGFZYUMRMS-BKUYFWCQSA-N	510.572	4.032	10	40	KICB	
COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)[C@H](C(=O)c2cc(OC)ccc2OC)[C@]12C(=O)Nc1ccccc12	503924651	PCBLPBFRJXVKJK-NLOYNPKYSA-N	524.573	4.275	10	40	KICB	biogenic
C[C@H](c1ccccc1)N1C(=O)/C(=C/c2c(NCCCn3ccnc3)nc3ccccn3c2=O)SC1=S	8834855	SZTGWZPNTVDPLI-TVJQZGFISA-N	516.652	4.356	10	40	KICB	
O=C1[C@H]2[C@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1Cc1ccccc1	100323942	VGHAMNDXUYCJOT-FSSWDIPSSA-N	516.347	4.140	10	40	KICB	
CN(Cc1ccccc1)C(=O)CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)N(C)Cc3ccccc3)C2=O)SC1=S	101002440	SFGZYOXPHYWTLQ-WCWDXBQESA-N	612.824	4.016	10	40	KICB	
CN1C(=O)/C(=C\c2ccc(OCC(=O)N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)cc2)SC1=S	101093714	IXSZSTAOUVAIFT-UDWIEESQSA-N	566.583	4.172	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(=O)c1ccc2c(c1)OCO2	408538048	YRIVVFOZLFNEDB-GIJQJNRQSA-N	554.433	4.328	10	40	KICB	
O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1	408691988	AOMHBZAOCHFMEM-WOJGMQOQSA-N	514.332	4.341	10	40	KICB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1cccc(I)c1	408850312	LDMUIRZARBULTO-DJKKODMXSA-N	555.328	4.094	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)c(=O)n2[C@H]1c1cccs1	408985633	OBSLJYNKFBYZSH-XXMKCSCWSA-N	561.685	4.054	10	40	KICB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1	409225389	PZHWUGYYFXQZQH-CIAFOILYSA-N	579.363	4.350	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(N3CCCCC3)nc12	1474165	MHJGNGCZZCLYOG-BKUYFWCQSA-N	520.636	4.123	10	40	KICB	
COc1cc(/C=C2/C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	8494258	JEBWVXZKTSICPE-OHMBLGONSA-N	562.629	4.469	10	40	KICB	
O=C1C[C@H](c2ccccc2Br)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1	96221059	OZTYHYCCVVRPNN-GFCCVEGCSA-N	511.280	4.486	10	40	KICB	biogenic
CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Br	103851620	FTLNABHGPXNBBU-KPKJPENVSA-N	586.233	4.124	10	40	KICB	
COC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br	103858534	ZOCDRMKBHQWYPY-AWNIVKPZSA-N	572.593	4.083	10	40	KICB	
CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](CNc1cc(C)c(C)cc1/N=N\c1ccc([N+](=O)[O-])cc1)OC(C)=O	104361026	IHOVYQIUFLJFMV-LTGJDWQGSA-N	572.571	4.397	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@H]1c1ccc(F)cc1	408841056	HKMAEXJVHGPLGN-RISWYLRJSA-N	559.619	4.043	10	40	KICB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)cc3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1	408894184	BMUQBCVFEBKAFK-JLPGSUDCSA-N	550.589	4.227	10	40	KICB	
O=C(COc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Br)Nc1ccc(F)cc1	409364300	OYGBEXJQACJDSK-GRSHGNNSSA-N	583.326	4.180	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCCOc1ccc(C)cc1C	13687291	YSZVLKAUCLIOKY-JCMHNJIXSA-N	504.539	4.415	10	40	KICB	
CCOc1cc(/C=C2\C(=O)N(c3cc(C)cc(C)c3)C(=O)N=C2O)cc(Br)c1OCC(=O)O	15012478	OSZMOTIILJKSQD-PXNMLYILSA-N	517.332	4.435	10	40	KICB	
COc1ccc(N2CCN([C@@H](c3cc4ccc(C)c(C)c4[nH]c3=O)c3nnnn3C3CCCC3)CC2)cc1	19826479	DHYBUBPTQWNINZ-MHZLTWQESA-N	513.646	4.167	10	40	KICB	
Cc1ccc(N2C(=O)/C(=C/c3cc(Br)c(I)o3)C(=O)NC2=S)cc1C	103610387	ZPFNGAMIEYIHKM-WUXMJOGZSA-N	531.169	4.095	10	40	KICB	
CCOc1ccc(N(CC(=O)NCc2ccc(N(CC)CC)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	225824442	VRVBQVPPHUVRDA-UHFFFAOYSA-N	555.697	4.460	10	40	KICB	
COc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OC	409228921	HFDWFAKVOXSWBC-AWNIVKPZSA-N	515.307	4.316	10	40	KICB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(OC)cc4)cc3)C2=O)cc1OC	409380193	JZLQFRSHNWPGIH-JLPGSUDCSA-N	559.575	4.177	10	40	KICB	
Cc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br	409401793	ZZQULLRAKYMWHR-UYRXBGFRSA-N	506.356	4.236	10	40	KICB	
Cc1ccc2occ([C@H]3CC(=O)Oc4cc(O)c5c(=O)c(O)c(-c6ccc(O)c(O)c6)oc5c43)c(=O)c2c1	96221857	ZNKNNZWUSIVXIK-CYBMUJFWSA-N	514.442	4.138	10	40	KICB	biogenic
COc1ccc(CN2C(=O)/C(=C/c3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)nc4ccccn4c3=O)SC2=S)cc1	104150011	PBXVACODAKSZSM-PKAZHMFMSA-N	627.748	4.155	10	40	KICB	
COC(=O)Cn1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c2cc(Br)ccc21	409123789	HXQYRABGIFVFIX-WSVATBPTSA-N	502.415	4.373	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(=O)N1CCOCC1	409258672	YPPZICJXDXAZKK-MPGAHLTBSA-N	512.653	4.285	10	40	KICB	
O=C(NC1CCCCC1)[C@H](c1ccc(O)c(O)c1)N(C(=O)Cn1nnc2ccccc21)c1cccc(F)c1	902681	IBRHDOPJQAUIHN-MHZLTWQESA-N	517.561	4.205	10	40	KICB	
COc1ccc(N2CCN([C@H](c3cc4cc(C)c(C)cc4[nH]c3=O)c3nnnn3C3CCCC3)CC2)cc1	19940762	PDDKVZGGDNSBSP-HHHXNRCGSA-N	513.646	4.167	10	40	KICB	
COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1CN1C(=O)c2ccccc2C1=O	102452458	VAEMWYNJPPTXLO-FYJGNVAPSA-N	576.428	4.085	10	40	KICB	
Cc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)c3cccc4cccnc34)c(O)c3ncccc23)cc1	256055641	OHHDBNWXTHNWLE-UHFFFAOYSA-N	505.577	4.431	10	40	KICB	
O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc(Br)c(Cl)c1	408677977	BDSZKPQPXMNUFU-UEXGIBASSA-N	545.817	4.147	10	40	KICB	
Cc1cc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c(C)cc1Br	408690595	WAODWGNDXBHQSD-VIZSFHNOSA-N	539.426	4.110	10	40	KICB	
CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCCC5)c(C)c4)c(=O)n32)cc1	409061314	CVPCTTDMFIGZCR-OXWVMCNISA-N	545.705	4.494	10	40	KICB	
CC[C@H](C)N1C(=O)/C(=C/c2c(N3CCN(c4ccccc4)CC3)nc3c(C)cccn3c2=O)SC1=S	1450043	NBLWOEUOWJWYJI-WDUNQMNWSA-N	519.696	4.329	10	40	KICB	
COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C	223743336	PCGMXCXRCNMJHG-RPBOFIJWSA-N	506.628	4.201	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc(Cl)c1OCC	408823384	FKXTYIZXPIGQQN-NTUHNPAUSA-N	509.342	4.474	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc(C(=O)O)c4)c(OC)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	408837841	OTXAZDUCOJRXHM-JLKMOJGBSA-N	627.719	4.150	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1	408955278	UBZKYFRAAVKXGE-VXLYETTFSA-N	563.950	4.151	10	40	KICB	
CCOC(=O)COc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OCC	408985752	YJISESKSUJCWLO-PXNMLYILSA-N	612.804	4.260	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409224579	MNHYQQIRHOMNTK-RGVLZGJSSA-N	535.940	4.047	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	409270529	QLKYIEOYNIQFQA-YVLHZVERSA-N	556.358	4.392	10	40	KICB	
COc1cc(OC)cc(N(C(=O)CSCC(=O)Nc2cc(C)on2)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)c(O)c2)c1	100286135	QJKOXJNUSJDSPV-GDLZYMKVSA-N	612.705	4.307	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3ccc(Cl)cc3)C2=O)cc1	408800218	NWBHVHXNUXOXAY-LPYMAVHISA-N	520.925	4.381	10	40	KICB	
CCc1cccc2c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)cn(CC(=O)NCc3ccco3)c12	409128803	KXVUCUDUKCYQHZ-CXFFPLRNSA-N	509.653	4.493	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1	409221958	BVYKQTRKFVCTAT-UDWIEESQSA-N	568.369	4.464	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(C(C)=O)cc3)C2=O)cc(OC)c1OC	11852871	SGDLSHMVFUKGTA-MOSHPQCFSA-N	500.598	4.145	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)ccc1OC(=O)/C=C/c1ccc(OC)cc1	104073920	BSFNKMDLAOQRDI-YCIFGCQNSA-N	559.687	4.101	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC)c(I)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	163720275	QNDFDSLRZAVGRC-CVGPFBNFSA-N	743.405	4.472	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)NC2=O)cc(I)c1OCC(=O)Nc1ccccc1	408529031	GMNPQZPSGDRUCY-YBEGLDIGSA-N	540.404	4.196	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)ccc1OC(=O)c1ccccc1	408535678	OKVXLUWEEYKPIU-CPNJWEJPSA-N	568.323	4.185	10	40	KICB	
CCOc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1	408874062	XZKOPWRSTPRRPW-CXUHLZMHSA-N	541.139	4.119	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1	409047465	NWQVQKMIXJCUOJ-DEDYPNTBSA-N	519.941	4.423	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1	409065537	JECHZSWYGANPMX-XDHOZWIPSA-N	575.382	4.214	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccccc1	409068695	HPBPMUJATKBSQB-VCHYOVAHSA-N	547.372	4.436	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1	409262579	HZROLVBJDFAIKE-IWIPYMOSSA-N	571.586	4.173	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br	97966305	MQEPJGKVQPNGLB-GRXWAMFVSA-N	644.588	4.433	10	40	KICB	
O=C1/C(=C/c2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc(F)cc1	101070241	VICBLXCSBYIUPT-NBOCOGBRSA-N	532.622	4.381	10	40	KICB	
O=C(NN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccccc3Br)C2=O)SC1=S)c1ccccc1Br	150401057	SDOFWSZVGXJQIR-BUHFOSPRSA-N	658.400	4.134	10	40	KICB	
COc1cc(/C=C2\SC(=S)NC2=O)cc(I)c1OCc1ccc(C(=O)O)cc1	408533406	YLLOYPHRBMSNDU-NVNXTCNLSA-N	527.361	4.066	10	40	KICB	
CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)C(=O)NC2=S)cc1	408776503	ZWTVVFLCXAXYJV-NLRVBDNBSA-N	514.651	4.324	10	40	KICB	
CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OCC)cc3)C2=O)cc1Br	408809828	RWBFLEFAJKBHGG-SFQUDFHCSA-N	501.333	4.081	10	40	KICB	
CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3ccc(N4CCCC4)cc3)c2=O)=N1	409052869	IUDOYDDUBCDIDI-ZMIGGIFCSA-N	522.070	4.440	10	40	KICB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(C(=O)O)cc1	409270230	GOIKUENFPCAMDR-LSHDLFTRSA-N	519.535	4.196	10	40	KICB	
Cc1cc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2NCCO)c(C)n1-c1cccc(C(F)(F)F)c1	13129240	MQJXLTJXJXXVDA-UHFFFAOYSA-N	505.449	4.465	10	40	KICB	
COc1ccc(N2CCN(C(=O)c3ccc(Cl)c(S(=O)(=O)Nc4cccc(C)c4)c3)CC2)cc1	408547435	JLJRUKLTGGFEPD-UHFFFAOYSA-N	500.020	4.420	10	40	KICB	
O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1cc2c(cc1Br)OCO2	408849401	WMHJCJBKACLRAB-WTKPLQERSA-N	500.157	4.316	10	40	KICB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5ccc(OC(C)=O)cc5)c4C)c(=O)n32)cc1OCC	408936639	PLNOFBNMRJPVEG-HJRUQSCCSA-N	615.708	4.148	10	40	KICB	
COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1	409004796	RUMQGWPNYBHOQZ-SSDVNMTOSA-N	569.401	4.109	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3OC(C)C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	409021651	RVLFPGIDFMFQQD-XSZPGNIMSA-N	540.085	4.305	10	40	KICB	
CCOc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1	9310596	ZFVZREZXJSXUPD-GIJQJNRQSA-N	506.989	4.042	10	40	KICB	
CCC(=O)Oc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(I)cc2)C1=O	408528642	BQRUAHOOUOLNBQ-GDNBJRDFSA-N	569.149	4.036	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3OC)C2=O)ccc1OC(=O)c1ccc(Cl)cc1	408537504	VTFNEMRFOGECBF-QGOAFFKASA-N	506.898	4.243	10	40	KICB	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3cc(Cl)cc(I)c3O)C2=O)c1	408852725	MXELDULAGFIINL-RIYZIHGNSA-N	556.740	4.114	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Cl)cc4)c3)C2=O)cc1	409226001	SDHLFEMJZATZGY-HMAPJEAMSA-N	505.914	4.033	10	40	KICB	
CC(C)N1C(=O)/C(=C/c2c(N3CCN(c4cccc(Cl)c4)CC3)nc3ccccn3c2=O)SC1=S	1476911	OUQTZPAAPSHADU-HKWRFOASSA-N	526.087	4.284	10	40	KICB	
O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)cc1)[C@@](Cc1c[nH]c3ccccc13)(C(=O)O)N[C@H]2c1ccccc1O	20547030	RGTNXIYIQXCACV-IMBSWCNGSA-N	515.953	4.043	10	40	KICB	
COc1ccc(CN2C(=O)[C@@]3(SC2=S)[C@H](c2cccnc2)CN(C)[C@]32C(=O)N(C)c3ccc(Cl)cc32)cc1	97957112	ITCRFMWLNNZYHU-ZGOJTZKKSA-N	565.120	4.444	10	40	KICB	
COc1cc(S(=O)(=O)Nc2ccccc2C)ccc1N/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O	97961093	JZOHETBJVXEMLL-RGEXLXHISA-N	540.985	4.037	10	40	KICB	
CCOC(=O)CC1=NN(c2ccccc2)C(=O)/C1=c1/s/c(=C2\Sc3ccc(Cl)cc3N2C)c(=O)n1Cc1ccccc1	102154633	CTNGUGAURMSAIE-FDMCKTFZSA-N	617.152	4.426	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br	408767724	GNULBVJKUXNGDZ-ZYDFGXJWSA-N	665.404	4.407	10	40	KICB	
O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	409371759	HGZANLDNHCATPZ-VCHYOVAHSA-N	526.299	4.191	10	40	KICB	
Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4I)C(=O)[C@@H]23)cc1	100497441	PGYGLHBMMKFPSD-BHIFYINESA-N	563.347	4.295	10	40	KICB	
CN1C(=O)C(=Cc2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N(C)C1=S	164428871	OFSVWQHMRAAVJY-UHFFFAOYSA-N	616.231	4.140	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1	408694178	DQYQFFCXUGRCQS-XDHOZWIPSA-N	511.962	4.161	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)ccc1OCc1ccc(C(=O)O)cc1	408911774	DHPIVAGHYMURFH-CIAFOILYSA-N	504.470	4.168	10	40	KICB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(C)n(-c5ccc([N+](=O)[O-])cc5)c4C)c(=O)n32)cc1OCC	408932025	AWIBJMZCQLPFPN-FZLFTDMCSA-N	602.669	4.131	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)ccc1OCc1ccc(Br)cc1	408937358	IZFNOTCUHJFEKW-UDWIEESQSA-N	551.349	4.401	10	40	KICB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OC)c(OCC)c3)C2=O)cc1OC	409135854	WETZWFNEDYNRJB-LICLKQGHSA-N	594.402	4.158	10	40	KICB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cccn2-c2ccc(I)cc2)C1=O	409232360	QHEATAQUGKDUHI-NBVRZTHBSA-N	527.318	4.147	10	40	KICB	
COc1ccc2c3c(n(C[C@H](c4ccccc4)N4CCN(C)CC4)c(=O)c2c1OC)-c1ccccc1C3=O	604406301	FPRQWVMXNZHAHO-XMMPIXPASA-N	509.606	4.219	10	40	KICB	biogenic
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(N4CCOCC4)cc3)cc2Cl)cc1	22519909	KMOOFFIPFHETFT-UHFFFAOYSA-N	500.020	4.216	10	40	KICB	
O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc(Br)cc1Cl	408684046	JHOQESDTEOYKQT-WFXMLNOXSA-N	545.817	4.147	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OCc1cccc(F)c1	408899154	ZMPNBTVCXRWJBB-HYARGMPZSA-N	518.497	4.256	10	40	KICB	
COC(=O)C[C@H](c1cc(OC)c(OC)cc1OC)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12	96221655	XJXIEABGQBHTMS-MRXNPFEDSA-N	522.506	4.298	10	40	KICB	biogenic
CCOc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OC(=O)c1cccc(OC)c1	97964810	PARVTHAMOSQODO-XCAKCUFHSA-N	527.562	4.376	10	40	KICB	
Cc1cccc(C)c1OCCOc1ccc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)cc1	101396603	UJXHQXLKPDYGNK-NKFJNAIASA-N	526.640	4.161	10	40	KICB	
COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccccc2Br)OC32C(=O)c3ccccc3C2=O)cc1	101483881	NPKNPXIUMNKCIR-YPAWHYETSA-N	532.346	4.153	10	40	KICB	
CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C\Nc1cc2c(cc1N1CCCC1)n(C)c(=O)n2C	408535014	SAHRRNCWQHFRJD-JXAWBTAJSA-N	523.435	4.267	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCC	408984873	TZFLOILIVMVMCU-BOPFTXTBSA-N	534.350	4.317	10	40	KICB	
CCN(CC)S(=O)(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccc(O)c(O)c2)cc1	6511955	WSLPSXLYIJYKGI-HKBQPEDESA-N	634.759	4.096	10	40	KICB	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OC(=O)c1cccs1	101396297	IRGJSVAWWIWPFP-WTZVULCFSA-N	546.652	4.013	10	40	KICB	
O=C1C[C@H](c2ccc(O)cc2)Oc2c1c(O)cc(O)c2[C@@H]1C(=O)c2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1	229756996	BTRRHXATSDHYNW-SGNYCRIWSA-N	558.495	4.433	10	40	KICB	biogenic,in-vitro
COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)Nc4ccc(C)c(C)c4)cc3C)CC2)cc1	408674875	LJGCWMLTKRJXSD-UHFFFAOYSA-N	523.655	4.149	10	40	KICB	
Cc1cc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(O)c(I)c3)C2=O)ccc1Br	408754177	DVOHLOZCUVLWMF-VZUCSPMQSA-N	606.008	4.497	10	40	KICB	
CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4C)c3C)C(=O)NC2=S)cc1	408912131	PQJXPPFZIWRIOE-HYARGMPZSA-N	503.580	4.331	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4F)c(Br)c3)C2=O)cc1	409380242	AFJSOCSJDTYEGG-LDADJPATSA-N	568.355	4.281	10	40	KICB	
COCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCC3)c2)SC1=S	2593525	LQFARLBQLPRECK-QJOMJCCJSA-N	554.719	4.171	10	40	KICB	
COC(=O)c1cccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)c1	13025075	ZBPYABJTGCRYFS-HHHXNRCGSA-N	531.609	4.350	10	40	KICB	
O=C1C[C@H](c2ccc(O)cc2)Oc2c1c(O)cc(O)c2[C@H]1C(=O)c2c(O)cc(O)cc2O[C@H]1c1ccc(O)c(O)c1	38143739	BTRRHXATSDHYNW-RVBRUHEGSA-N	558.495	4.433	10	40	KICB	biogenic,in-vitro
O=C1[C@H]2[C@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1	96298819	LKDDVTHACFNPGB-HKBOAZHASA-N	502.320	4.144	10	40	KICB	
CC(C)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)SC1=S	101335215	OMAXJMWQSJLLQC-JLPGSUDCSA-N	568.746	4.417	10	40	KICB	
CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	409086864	BPDUADGUBORKCA-WOJGMQOQSA-N	539.429	4.030	10	40	KICB	
CCN(CC)c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(O)c1	409090535	NSKVBYSWNHLXGM-NNAGEYCMSA-N	568.699	4.434	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409225498	QHQBSGLHMRZMPD-RGVLZGJSSA-N	656.389	4.200	10	40	KICB	
CCOc1ccccc1N1C(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O	18143012	SMCXJBKSVYHVDA-RJGXRXQPSA-N	501.922	4.434	10	40	KICB	
Cc1cc(/C=C2\C(=O)N(c3cccc(Br)c3)C(=S)N=C2O)c(C)n1-c1ccc(S(N)(=O)=O)cc1	97960905	XIEWIAHDQUIKGM-JAIQZWGSSA-N	559.467	4.176	10	40	KICB	
S=C(NCc1ccc(N2CCCC2)cc1)Nc1nc(N2CCCC2)cc(N2CCN(c3ccccc3)CC2)n1	225951661	SYVNBPXMUKMVGS-UHFFFAOYSA-N	542.757	4.490	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1	408855947	GQBLNBVAUKAXRD-YNMQQHPQSA-N	563.720	4.440	10	40	KICB	
CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)c(O)c1	408919852	DHNHKVBYIZQHLK-LMSRTUJASA-N	551.734	4.461	10	40	KICB	
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(N4CCOCC4)cc3)c(Cl)c2)cc1	44845381	CAXCDNNDFNEGIT-UHFFFAOYSA-N	500.020	4.216	10	40	KICB	
COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)c([N+](=O)[O-])c1	223190257	OKYCXMUZFFYJRM-SXOMAYOGSA-N	550.685	4.101	10	40	KICB	
O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1cccc(Cl)c1Cl	408688893	RHMJXRZDXMGAJL-HLIPFELVSA-N	501.366	4.038	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408808504	MGMCIVMGCUIXDS-DJKKODMXSA-N	644.334	4.362	10	40	KICB	
COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)Nc4ccc(C)cc4)C3=O)c2C)c1	409016898	LJKRGWKOYXANIJ-YDZHTSKRSA-N	500.555	4.029	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C	409270803	RGKDXDIIRLBRCL-JCMHNJIXSA-N	513.550	4.386	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1ccc(F)cc1	1759098	MTDKLOZOPGSNNU-LMSRTUJASA-N	533.600	4.484	10	40	KICB	
O=C1[C@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1Br	18180629	KSAZRMOMQDSNSF-QHAWAJNXSA-N	502.320	4.144	10	40	KICB	
CN1C(=O)[C@]2(c3cc(Cl)ccc31)N(C)C[C@H](c1ccccn1)[C@@]21SC(=S)N(Cc2ccccc2)C1=O	102899103	ZBUYIQUXICGXFL-PHXCCWLDSA-N	535.094	4.435	10	40	KICB	
O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/Nc1ccc([N+](=O)[O-])cc1O	408527195	FJPZORLNXLVZRM-KGENOOAVSA-N	502.527	4.347	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1	409224536	MHWXLVXYIQKLGO-FYJGNVAPSA-N	535.940	4.128	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(Sc4nccc(C)n4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	409271983	XBKHSTYARFBEQD-YJADQXIJSA-N	640.585	4.469	10	40	KICB	
COc1ccc(Cl)cc1-c1nc(S/C(=C/c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)C(=O)O)n[nH]1	408632286	PRESRJSKYGWEGS-UDWIEESQSA-N	530.994	4.012	10	40	KICB	
CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(N(C)C)cc3)c2=O)=N1	409034371	NPNSWNFYGGGFRL-XXMKCSCWSA-N	540.085	4.307	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OS(=O)(=O)c1ccccc1	409065054	GWTRVOFFHNYFTB-QGOAFFKASA-N	526.954	4.091	10	40	KICB	
O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(OCC(=O)N2CCOCC2)cc1	409220742	FEYBMJANXFBUEI-LQKURTRISA-N	569.658	4.058	10	40	KICB	
CCc1ccc(NC(=O)COc2c(I)cc(/C=C3\SC(=S)NC3=O)cc2OC)cc1	409230901	HFOGCDXKJLWFPI-YVLHZVERSA-N	554.431	4.369	10	40	KICB	
Cc1cccc(-n2c(C)cc(CN3CCC4(CCCCNC(=O)c5ccccc5OCCNC4=O)CC3)c2C)n1	643566779	VZTZAVJIWPGDBP-UHFFFAOYSA-N	543.712	4.489	10	40	KICB	
CCOC(=O)c1cccc(-c2ccc(/C=C3\C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)o2)c1	9303512	UPVMOPVAJAMHQP-ZHIXYLIPSA-N	519.583	4.145	10	40	KICB	
O=C1[C@@H]2[C@H](c3cccc(Br)c3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	100413988	AOSXLTXVKBUZQN-ACRUOGEOSA-N	547.317	4.052	10	40	KICB	
O=C1[C@H]2[C@@H](C(=O)N1c1ccc(F)cc1)[C@H](c1ccc(Br)cc1)OC21C(=O)c2ccccc2C1=O	100414063	OICVASDHEJUTFN-NJYVYQBISA-N	520.310	4.283	10	40	KICB	
Cc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c(C)n1-c1ccc(C(C)C)cc1	103593295	XGSRNNBXJFHGQL-JHKOBTARSA-N	518.643	4.086	10	40	KICB	
COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc([N+](=O)[O-])ccc2OC)c1C	223728593	RUHIOJWBAWEPHE-JWQCQUIFSA-N	523.615	4.332	10	40	KICB	
O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc(Cl)cc1Cl	408685259	LDCPCGYEUJEALQ-LVCYWYKZSA-N	501.366	4.038	10	40	KICB	
O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1cccc(Cl)c1Cl	408688891	RHMJXRZDXMGAJL-FUHIMQAGSA-N	501.366	4.038	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	408742707	SFVCCMLANNPQGW-FYJGNVAPSA-N	503.536	4.322	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(C(=O)O)cc1	408758762	QRTIAIGOZCMQBG-XKZIYDEJSA-N	516.575	4.421	10	40	KICB	
CC[C@@H](C)N1C(=O)/C(=C/c2c(N3CCN(c4ccccc4)CC3)nc3ccccn3c2=O)SC1=S	1449944	IUHITAKGNVFRGX-QUWSGOTNSA-N	505.669	4.021	10	40	KICB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C2/C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)cc1	408537295	UYWADADOGIUQID-BKUYFWCQSA-N	551.349	4.352	10	40	KICB	
COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1	409013160	LRDDMJRNFVWTTP-MFKUBSTISA-N	527.577	4.337	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1	409068346	SFBAPAMERPZAHC-XDHOZWIPSA-N	547.372	4.436	10	40	KICB	
COc1ccccc1N1C(=O)/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)NC1=S	409174425	SVPDQAPZXPIMIS-KGENOOAVSA-N	512.547	4.438	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409235782	QNUYRYYZRLUCCF-WQRHYEAKSA-N	565.467	4.460	10	40	KICB	
COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1I	409330662	LQOSMEPDCAYZEM-DHDCSXOGSA-N	530.796	4.499	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(OC)cc1	409378151	MRSNILAIVHFMOW-MTJSOVHGSA-N	594.964	4.339	10	40	KICB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1sc2c(c1C(=O)O)CCCC2	409386806	SCCACLOYNTWBQV-VCHYOVAHSA-N	533.562	4.128	10	40	KICB	
Cc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@H](C(=O)NC3CCCC3)c3ccc(N(C)C)cc3)n2)cc1	887362	VLAQRCBJAXWYJK-HKBQPEDESA-N	595.704	4.272	10	40	KICB	
COc1ccc(OC)c(NC(=O)COC(=O)CCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)c1	35229352	PKJNYZSACQNMNP-VMGASSTCSA-N	512.609	4.033	10	40	KICB	
COc1ccc(Cl)cc1[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]12	101654745	UQUJGCNSYQQTBP-RJGXRXQPSA-N	501.922	4.352	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1ccc(Br)cc1	8444698	XEKMBHXIVNOCHQ-WLJFKGHSSA-N	605.352	4.389	10	40	KICB	
CC(C)CCN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4)CC3)nc3ccccn3c2=O)SC1=S	8859261	KBBZMMWKCHOUPP-PYCFMQQDSA-N	519.696	4.268	10	40	KICB	
O=C1/C(=C/c2c(NC[C@@H]3CCCO3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1Cl	16734435	GAFVNVPSGMSNPI-JJBLJPBOSA-N	513.044	4.340	10	40	KICB	
O=C1c2cccc3c(Br)ccc(c23)C(=O)N1N/C=C1\C(=O)N(c2cccc(Cl)c2)C(=O)N=C1O	97944459	XEFSEOPFNSXFCZ-YBEGLDIGSA-N	539.729	4.364	10	40	KICB	
CCN1/C(=c2/s/c(=C3/C(=O)N(c4ccccc4)N=C3C)n(-c3ccccc3)c2=O)C=Cc2ccccc21	100501656	GBXJZNXMVRRIMU-IQAPSFSXSA-N	504.615	4.134	10	40	KICB	
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(I)c1OCc1ccc(C)cc1	103857138	HDXKMYJGLRIWNU-UHFFFAOYSA-N	550.418	4.176	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408528495	BKFYPCFFYOBMCE-XDHOZWIPSA-N	613.320	4.094	10	40	KICB	
CCOC(=O)COc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OCC	408848012	OWSWDUOUBQHMGA-VCHYOVAHSA-N	545.386	4.073	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)ccc1OCc1ccccc1Cl	408938611	LEPUVPMBQKOREW-XDHOZWIPSA-N	506.898	4.292	10	40	KICB	
Cc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1	408968288	XWLFJTMKCFOFMF-UHFFFAOYSA-N	556.669	4.490	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](c4ccccc4Cl)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	4131717	RXXRZUJATITGHV-VJBWXMMDSA-N	529.932	4.212	10	40	KICB	
O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1	17200644	GUBSSQMCKPXWTE-UHFFFAOYSA-N	508.555	4.466	10	40	KICB	
CC(C)C[C@]1(C(=O)O)N[C@@H](c2cc(Br)ccc2O)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]21	100137177	XRGPWTFBQSRQLZ-YWNPBTLJSA-N	566.246	4.237	10	40	KICB	
COc1ccc(N2C(=O)[C@@H]3[C@@H](c4cccc(Br)c4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1	101130321	UKTNVCORPVFHQM-BHDDXSALSA-N	532.346	4.153	10	40	KICB	
COc1ccc(N2CCN(C(=O)CN(C3CCCCC3)S(=O)(=O)c3ccc(Br)cc3)CC2)cc1	409058689	KIUNXDKUKKIYFP-UHFFFAOYSA-N	550.519	4.130	10	40	KICB	
O=C(COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Br)Nc1ccc(F)cc1	409364926	RLCWLLWUVALUPM-UNOMPAQXSA-N	554.397	4.437	10	40	KICB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1	409399786	MIDKKHWKHPSGFI-UNOMPAQXSA-N	540.313	4.030	10	40	KICB	
COc1cc(/C=C2/C(=O)N(C)C(=S)N=C2O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	658439	LOIOKXGBKLDXQV-VGOFMYFVSA-N	506.334	4.042	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(NCCCOC(C)C)nc12	2591564	UZHJKCVABSWWEK-XKZIYDEJSA-N	552.678	4.360	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(I)c1OC(C)C	14133167	OHOOTTLQFCZHMI-OQLLNIDSSA-N	520.323	4.062	10	40	KICB	
CCCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1OC	408803878	BFCZCNWYWIEXGG-GZTJUZNOSA-N	534.350	4.317	10	40	KICB	
COc1ccc(NC(=O)COc2c(Br)cc(/C=C3\C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)cc2OC)cc1	409381834	WMTADBGBWQFELZ-CIAFOILYSA-N	610.417	4.159	10	40	KICB	
CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(OC)c(N4CCCC4)cc3OC)C2=O)cc1	9721057	SWXYDSOPWRWEEB-UCQKPKSFSA-N	511.600	4.378	10	40	KICB	
COc1ccc(/C=C2/C(=O)N=C(O)N(c3cc(OC)c(OC)c(OC)c3)C2=O)cc1COc1ccc(NC(C)=O)cc1	97967330	WBJDQWLBWYVRNM-QRVIBDJDSA-N	575.574	4.129	10	40	KICB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1ccc(N2CCOCC2)cc1	223213064	UIGWRYPKELIHSM-IZLXSDGUSA-N	518.731	4.250	10	40	KICB	
COc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)sc(=O)n4Cc3ccc(Cl)cc3)CC2)cc1	225785411	TXKKLXMLIHWURU-UHFFFAOYSA-N	530.071	4.284	10	40	KICB	
CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1	408855701	GRTYJKFBPJCJCJ-BUVRLJJBSA-N	563.994	4.464	10	40	KICB	
CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409025150	MRKWJOQMKUGEGN-ZDLGFXPLSA-N	567.361	4.284	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1C	409253882	VUFXVPOOPQAICW-GRSHGNNSSA-N	656.389	4.200	10	40	KICB	
CC(C)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1	897382	BLSQLHNBWJLIBQ-ZEQKJWHPSA-N	532.472	4.463	10	40	KICB	biogenic,in-vitro
COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Br)c1OCC(N)=O	8452863	HULZABRTPFNDRY-UNOMPAQXSA-N	506.356	4.156	10	40	KICB	
O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C/c1ccccc1OS(=O)(=O)c1ccccc1	8913996	FVHOZCUANIPBSC-LYBHJNIJSA-N	505.621	4.247	10	40	KICB	
O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(OCCOCCOc3ccc(N4C(=O)c5ccc(C(=O)O)cc5C4=O)cc3)cc1)C2=O	97994451	GKVDPOWFQKYXEB-UHFFFAOYSA-N	636.569	4.159	10	40	KICB	
O=C1/C(=C/c2c(NCc3ccc4c(c3)OCO4)nc3ccccn3c2=O)SC(=S)N1CCc1ccccc1	100762770	HZVZRWYHGDDDRB-HAHDFKILSA-N	542.642	4.479	10	40	KICB	
Cc1ccc2nc(N3CCC(C)CC3)c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1	100831010	UEDRBAUBGOHYTB-UUYOSTAYSA-N	534.663	4.369	10	40	KICB	
CCOc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OC	408760412	YFDUDGJGQVBKIO-ZSOIEALJSA-N	585.192	4.436	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)C2=O)cc1	408807262	KUEAUHVDQQCBNU-UDWIEESQSA-N	535.896	4.280	10	40	KICB	
CCOc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1	408875688	KAQASNZEPIWAHI-LZYBPNLTSA-N	510.715	4.318	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3ccccc3Br)C2=O)cc1	408890212	PSOHLXPTSWVNIW-FYJGNVAPSA-N	565.376	4.490	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1	409218003	GRYMLPKHJFTFLW-PXLXIMEGSA-N	519.941	4.423	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCC(=O)Nc3ccccc3F)C2=O)cc1	409384129	BHFOZTTURNHQGN-CPNJWEJPSA-N	568.355	4.281	10	40	KICB	
Cc1cc(NC(=O)CSCC(=O)N(c2ccc(F)cc2)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)c(O)c2)no1	8686626	QDJSDTQFLDOIIG-HHHXNRCGSA-N	570.643	4.428	10	40	KICB	
O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2cc([N+](=O)[O-])ccc2O)C(=O)N1c1ccc(Br)cc1	102732190	SEKXHFOHRWWZLY-PCCBWWKXSA-N	510.300	4.114	10	40	KICB	
Cc1ccc(N2C(=O)[C@H]3[C@@H](c4cccc(I)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	102902301	XQGYDRQSSLEJSU-BHIFYINESA-N	563.347	4.295	10	40	KICB	
Cc1cc(N2C(=O)NC(=O)/C(=C\Nc3nc4ccc(Cl)cc4s3)C2=O)c(C)cc1Br	408534409	VMBFCJYNNBIWFU-XYOKQWHBSA-N	505.781	4.908	10	40	KICB	
CCCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OCC	408780002	PMWNHVFBHAIWAT-GZTJUZNOSA-N	534.350	4.454	10	40	KICB	
COC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1Br	408857785	OVSHBXCKRYTFPB-YRNVUSSQSA-N	544.210	4.139	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(CNS(=O)(=O)c4ccc(C)cc4)o3)C(C(=O)OC)=C2C)cc1	409017759	VTWWTIOXEOZMGX-PCLIKHOPSA-N	564.616	4.120	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(C(=O)O)cc3)C2=O)cc1	409067509	FBKWKYBKXIPSKD-FYJGNVAPSA-N	534.908	4.070	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(C(=O)O)cc3)C2=O)cc1	409068572	TXYRAZAOFDDGNM-FYJGNVAPSA-N	506.898	4.292	10	40	KICB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)c(Cl)c1	409069460	CZROQYNSNOKVJN-WOJGMQOQSA-N	517.346	4.428	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)cc3C)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC	409075721	ZOHBDWMHCOSPJH-LMSRTUJASA-N	552.096	4.369	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1	409265267	RQYOOHIEPFVWHT-JCMHNJIXSA-N	515.591	4.243	10	40	KICB	
COc1ccc(N2CCN([C@@H](c3cc4cc(C)c(C)cc4[nH]c3=O)c3nnnn3CCc3ccccc3)CC2)cc1	1362236	BIJYIZKNHJDFSI-PMERELPUSA-N	549.679	4.294	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@@H]1c1ccc(OCC)cc1	2164043	TYUFXLVMJAVCKW-QUNTYYFUSA-N	585.682	4.333	10	40	KICB	
CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OCC	103859279	HUTUHKPAJXMODP-CXUHLZMHSA-N	551.777	4.110	10	40	KICB	
O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408533659	KKKORJMAQATYGL-ATVHPVEESA-N	554.284	4.382	10	40	KICB	
COc1ccc(N2C(=O)/C(=C\c3cccc(OS(=O)(=O)c4ccc5ccccc5c4)c3)C(=O)NC2=S)cc1	408754079	PHSOIYAEHLXAPP-XYGWBWBKSA-N	544.610	4.447	10	40	KICB	
COc1ccc(N2C(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc5ccccc5c4)cc3)C(=O)NC2=S)cc1	408761734	HBVCYMPRWKGPIE-XYGWBWBKSA-N	544.610	4.447	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1	409046965	SQTNRXCJESBXNL-ZSJKCPIUSA-N	614.562	4.423	10	40	KICB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c(C)n1-c1cccc(I)c1	409188738	AAICJKNJJNEFBL-RGVLZGJSSA-N	571.396	4.228	10	40	KICB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4F)cc3)C2=O)cc1Cl	409382272	QQWQFQNHMAOCBJ-XDHOZWIPSA-N	507.905	4.471	10	40	KICB	
COc1ccc(N2CCN(C(=O)c3ccc([C@H]4SCC(=O)N4CCc4ccccc4)cc3)CC2)cc1	9907585	QKZANFPYPJJYHP-GDLZYMKVSA-N	501.652	4.474	10	40	KICB	
O=C(O)COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1I	408791445	YXWUJVABVQWZDS-XCVCLJGOSA-N	687.011	4.332	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccc(F)cc1	408954786	SLZQSMCSXIRGND-RGVLZGJSSA-N	504.470	4.199	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C(=O)O)cc4)c(Cl)c3)C2=O)cc1	409068966	TUARZTXQBMJNCE-UDWIEESQSA-N	506.898	4.292	10	40	KICB	
COC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc(I)cc3)c2C)C1=O	409070950	ZSXYSJHUPZERQD-OMJMQIJPSA-N	510.353	4.297	10	40	KICB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12	409102095	CLFQGUMNOSUSRG-UOFRAYPZSA-N	596.753	4.102	10	40	KICB	
Cc1ccc(NC(=O)COc2cccc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2)cc1Cl	409253930	HCCZNUPOLSMYCY-CIAFOILYSA-N	507.905	4.471	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc(C(=O)O)o1	409386671	WLRCJDPUZVDUMP-RQZCQDPDSA-N	557.378	4.159	10	40	KICB	
COc1ccc(N2CCCCC2)cc1C(=O)N1CCC2(CCCCNC(=O)c3ccccc3OC[C@@H](C)NC2=O)CC1	643560772	HTUVDDQXKMVCPT-XMMPIXPASA-N	576.738	4.405	10	40	KICB	
COC(=O)C[C@H](c1ccnc2ccccc12)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	96222517	JAIJLTALXAQIJH-MRXNPFEDSA-N	515.474	4.231	10	40	KICB	biogenic
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OCC)cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	100185763	ZVXBGGPLJBVXBJ-ITNPZBTBSA-N	629.735	4.400	10	40	KICB	
COc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]23)cc1OC	101156930	RQTMGQSVONNSPC-YTFSRNRJSA-N	517.921	4.052	10	40	KICB	
COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCCOc1ccccc1	8739058	RVIHCYPBBOOAFP-XSFVSMFZSA-N	509.356	4.377	10	40	KICB	
CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)N(C)c4ccc(S(=O)(=O)N5CCOCC5)cc43)c2C)cc1	8777683	JJXIGQSXNYGJBI-ONUIUJJFSA-N	521.639	4.031	10	40	KICB	
COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)c2C)cc1Cl	9458005	BPKWCQCBBVQXLB-PERRAXLGSA-N	525.034	4.388	10	40	KICB	
O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1c1c(O)cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc12	26187321	GFWPWSNIXRDQJC-LMSSTIIKSA-N	556.479	4.499	10	40	KICB	biogenic
COc1ccc(/C=C2/C(=O)N=C(O)N(c3ccc(Br)cc3)C2=O)cc1CN1C(=O)c2ccccc2C1=O	97967547	OPRYQQXZDARNBK-BKUYFWCQSA-N	560.360	4.125	10	40	KICB	
Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccccc2O)N[C@]3(Cc2c[nH]c3ccccc23)C(=O)O)c1	102781216	IIVZPOSHWDJSRJ-JALVRWGXSA-N	509.562	4.007	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OC)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	163721759	COHROQBPHOQVJP-ZRELAVNMSA-N	635.378	4.398	10	40	KICB	
COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)c([N+](=O)[O-])c1	223190376	OKYCXMUZFFYJRM-SVBPBHIXSA-N	550.685	4.101	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551392	KPUBKYPPJDIBKI-ZDLGFXPLSA-N	556.358	4.392	10	40	KICB	
CCOC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1I	408768618	YZCOAPIWWIAPTQ-VGOFMYFVSA-N	680.620	4.158	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1ccc(Br)cc1	408808026	MEXVIRZMTSBKTH-UDWIEESQSA-N	523.339	4.409	10	40	KICB	
CCOC(=O)COc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1I	408984044	PMLQDEVWAGXAHJ-SXGWCWSVSA-N	674.229	4.067	10	40	KICB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C(=O)O)cc4)c(OC)c3)C2=O)cc1OC	409148780	RQQIKDSEXBIZSD-OEAKJJBVSA-N	574.586	4.432	10	40	KICB	
COc1cccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c1O[C@H](C)C(=O)O	409244947	KYBVTYCJKVOHJW-QGZVFWFLSA-N	502.548	4.295	10	40	KICB	
O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1Cl)Nc1ccccc1F	409381477	MOUQDSJUKYSUQI-LICLKQGHSA-N	511.868	4.302	10	40	KICB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(F)c1	409404063	BQRUOEBGBAMIDQ-GRSHGNNSSA-N	540.345	4.076	10	40	KICB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409408478	QVPBYOUAWLWRCS-NDENLUEZSA-N	536.382	4.245	10	40	KICB	
O=C(NC1CCCC1)[C@H](c1ccc(O)c(O)c1)N(C(=O)Cn1nnc2ccccc21)c1ccc(Br)cc1	902578	WNLXIBQDCNZKIH-SANMLTNESA-N	564.440	4.438	10	40	KICB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCC(C(N)=O)CC3)=NC2=O)c(C)c1	3652408	YXXQABXLBOBINF-HAHDFKILSA-N	501.612	4.024	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12	6354098	WSKFHMXEGDMDMD-OXIKZWMZSA-N	527.646	4.026	10	40	KICB	
CCOC(=O)[C@](CCCN1C(=O)c2ccccc2C1=O)(/N=N/c1cc2c(C)cc(=O)oc2cc1C)C(C)=O	97963937	LSNRJBPBMOIRBV-SADVANARSA-N	517.538	4.461	10	40	KICB	
COc1cc(OC)c(CN2C(=O)c3ccccc3C2=O)cc1/C=C1\C(=O)N=C(O)N(c2ccc(Cl)cc2)C1=O	97969137	NYDUZEGUNDLYEX-CIAFOILYSA-N	545.935	4.024	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccc(C)cc1	100180475	MJODOAWPBIRXCP-BIWBSIMWSA-N	556.644	4.422	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4Br)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1	101483891	ZASFDPRXZLMBFX-YTFSRNRJSA-N	574.383	4.321	10	40	KICB	
NS(=O)(=O)c1ccc(/N=N\C2C(=O)N(c3ccc(Cl)cc3)C(=S)N(c3ccc(Cl)cc3)C2=O)cc1	104240932	JYRFAMFLCHIYMX-RQZHXJHFSA-N	548.433	4.458	10	40	KICB	
CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1	3873934	BLSQLHNBWJLIBQ-JYFHCDHNSA-N	532.472	4.463	10	40	KICB	biogenic,in-vitro
C[C@@H]1CCCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)C1	16700396	BHUFZMNJPDMBMP-YQODDJSKSA-N	520.636	4.061	10	40	KICB	
O=S(=O)(c1ccc([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@H]32)cc1)N1CCOCC1	32192968	QMUANPPAJBPXTK-JQVVWYNYSA-N	522.408	4.139	10	40	KICB	
COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1C	223147829	BOJPAPYWEOXHIT-CLJLJLNGSA-N	526.106	4.456	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC(=O)c1ccc(Br)cc1	408530279	DTMCASVYWJWIMP-DFHJOZGCSA-N	539.382	4.327	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408947272	BOHUOOMRGBEECA-QGMBQPNBSA-N	596.346	4.340	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408956732	YCYRQUBADUTSIT-QGMBQPNBSA-N	596.346	4.340	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)c(Br)c(Br)c1O	409095879	IVTMUINQBQNBAN-KPKJPENVSA-N	586.258	4.164	10	40	KICB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2cccc(F)c2)c(I)c1	409399687	LUYREEAJXAESGO-UNOMPAQXSA-N	514.294	4.471	10	40	KICB	
O=C(NCc1ccccc1)[C@H](c1ccc(N2CCOCC2)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(F)cc1	922674	PWPAAJOEOYAVPE-YTTGMZPUSA-N	578.648	4.498	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N3CCN(c4cccc(Cl)c4)CC3)nc12	97946569	GVVLWNDSOMFLEK-BNDVRQRFSA-N	582.151	4.363	10	40	KICB	
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCOCC3)cc2)c2cccc(C(F)(F)F)c2)cc1	100074930	GWWGIGBSHAPUAA-UHFFFAOYSA-N	547.599	4.362	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(Br)cc1	100870546	LKINQJURZGRHJE-FOOJEKODSA-N	554.510	4.407	10	40	KICB	
CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/N2N=C(c3ccc(Br)cc3)C[C@@H]2C(=O)O)SC1=S	256055852	WILLSUXVEJTFFB-XMCGGYMHSA-N	588.505	4.188	10	40	KICB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1	408776278	YCMCKSWYXDKHEA-BUVRLJJBSA-N	521.042	4.415	10	40	KICB	
CCOC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1Br	408981756	BJIVYFXLFYFJHC-NVNXTCNLSA-N	521.751	4.019	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OS(=O)(=O)c1ccccc1	409072130	ILVBSNMBJJIFML-VCHYOVAHSA-N	638.823	4.387	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(C)cc4)c(OCC)c3)C2=O)cc1	409218820	HIQCLKVNKSPZOW-LFVJCYFKSA-N	543.576	4.476	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OS(=O)(=O)c1ccccc1	409331738	OTPJVHLWMBCCEC-UYRXBGFRSA-N	532.646	4.071	10	40	KICB	
COc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1	409387446	QKGOEPPKYLKGBI-STZFKDTASA-N	521.982	4.197	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(Cl)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	4091218	YDZPDPIZVJQGAK-XPWALMASSA-N	529.932	4.212	10	40	KICB	
COc1ccc(N2CCN(C(=O)c3ccc([C@@H]4SCC(=O)N4CCc4ccccc4)cc3)CC2)cc1	9907586	QKZANFPYPJJYHP-LJAQVGFWSA-N	501.652	4.474	10	40	KICB	
CCc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@@H]32)cc1	101484089	IPVRXYPKVIERMQ-VXNXHJTFSA-N	510.502	4.161	10	40	KICB	
O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/NN1C(=O)c2cccc3cc(O)cc(c23)C1=O	408534107	UVONBIAOJIAOBO-WGOQTCKBSA-N	576.609	4.281	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1	408803913	USILMJDUGXQTHI-RGVLZGJSSA-N	565.922	4.289	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@H]1c1ccc(SC)cc1	409060105	SRVUCIWZRYYEGQ-QXHVWWCLSA-N	519.692	4.120	10	40	KICB	
CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4)c(OC)c3)C(=O)NC2=S)cc1	409379831	ZXKUVYPQKRIQTB-PXLXIMEGSA-N	515.591	4.106	10	40	KICB	
COc1cc2c3c(c1)/C(=C1/SC(=S)NC1=O)C(=O)N3C(C)(C)C=C2CN1CCN(c2ccc(F)cc2)CC1	1554503014	AZFPNVKIUIJEMV-GYHWCHFESA-N	550.681	4.038	10	40	KICB	
COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1	8383790	FJGNAXWBKLSFTF-OEAKJJBVSA-N	571.449	4.393	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c(N3C[C@H](C)O[C@@H](C)C3)nc12	27016544	FGEHNEFXVJIBEO-KQWOTGNYSA-N	506.653	4.018	10	40	KICB	
CCn1c(/C=C2\C(=O)Nc3ccc(Br)cc32)nc2ccc(I)cc2c1=O	100023049	KISDYYZZVZDCTM-LCYFTJDESA-N	522.140	4.276	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC(=O)/C=C/c1ccccc1	408531208	GKYXJCGPEXCKFM-ROMUQREUSA-N	500.551	4.355	10	40	KICB	
CCN(CC)c1cc2[nH]c(O)nc2cc1N/C=C1/C(=O)NC(=O)N(c2cc(C)c(C)cc2Br)C1=O	408534264	QAEHPQPJPJRRNR-KAMYIIQDSA-N	541.406	4.073	10	40	KICB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(OCC(=O)O)c(Br)c3)C2=O)cc1Cl	408982130	GDBLEKTYIJKPDD-QCDXTXTGSA-N	572.593	4.303	10	40	KICB	
CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1	409015476	RGEJSFKSGSQEGI-LFVJCYFKSA-N	506.580	4.334	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@@H]1c1ccccc1	409022294	MEQUFBKHGPDTHY-XQNWCSQWSA-N	569.683	4.301	10	40	KICB	
CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(I)c1OCC	409126696	FNUOIFZTMNPINO-ATVHPVEESA-N	522.364	4.489	10	40	KICB	
Cc1ccc(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl	409265381	HYEYAKDDQMOMPU-JAIQZWGSSA-N	534.912	4.241	10	40	KICB	
CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc1OCC	409380379	LZHXWSRHXXRTIL-WOJGMQOQSA-N	561.454	4.183	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(N3CCN(c4ccccc4F)CC3)nc12	1449950	QXBNZQLOKJDIOP-QNGOZBTKSA-N	523.659	4.078	10	40	KICB	
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)CN3C(=O)c4ccccc4C3=O)c3cc(C)ccc32)S1	8395918	JKLYVBXHALZCEO-UHFFFAOYSA-N	608.719	4.493	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	8451452	DGKVVWYUCXUTNL-PKYOQBLNSA-N	615.708	4.311	10	40	KICB	
O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccc(C(=O)O)c(O)c1	8820053	GTOBRKJMNKWQNE-JAIQZWGSSA-N	514.581	4.219	10	40	KICB	
COC(=O)C[C@H](c1ccc(O)c(Cl)c1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	96115292	HXYZBOJQIXLMLJ-GFCCVEGCSA-N	514.870	4.042	10	40	KICB	biogenic
COc1cc(COc2ccc(Br)cc2C=C2C(=O)NC(=O)NC2=O)ccc1OCc1ccccc1	408539763	YRNNRJXGVMWMGI-UHFFFAOYSA-N	537.366	4.365	10	40	KICB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OC(C)C)c(OC)c3)C2=O)cc1	408804013	BWLLHVGNYQVWPS-LICLKQGHSA-N	534.350	4.316	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OC	408805143	IVRFGBFDSSOCBO-VGOFMYFVSA-N	540.741	4.327	10	40	KICB	
COc1ccc(OC)c([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCCC5)c(C)c4)c(=O)n32)c1	409061885	JPRWLHFQVCVBKT-FUFNRSNVSA-N	561.704	4.113	10	40	KICB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OC)c(OCC)c3)C2=O)cc1OC	409145067	PEFLBHKRSVGLNQ-LICLKQGHSA-N	547.402	4.316	10	40	KICB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4OC)C3=O)c2C)cc1	409169273	WKNZGAUGATZTCA-RCCKNPSSSA-N	503.580	4.111	10	40	KICB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cccc(OC)c2OCc2ccc(C(=O)O)cc2)C1=O	409190804	WJJSBUZUXUWVNC-RCCKNPSSSA-N	500.507	4.201	10	40	KICB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c(C)n1-c1cccc(Br)c1	409192742	ZZOIVZOKCKJXDU-RGVLZGJSSA-N	524.396	4.386	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4Cl)c(OC)c3)C2=O)cc1	409266920	ZAKQJDDHHKVJSO-XSFVSMFZSA-N	549.967	4.431	10	40	KICB	
COc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cc(C)n(-c4sc5c(c4C(=O)O)CCCC5)c3C)C2=O)cc1	409384886	FLOUMNYCGSLFLC-BKUYFWCQSA-N	548.621	4.273	10	40	KICB	
CCc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)cc1	6134742	MQFRAEZTDCTPHC-VWLOTQADSA-N	548.713	4.290	10	40	KICB	
O=C1/C(=C/c2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc(F)cc1	101070245	VICBLXCSBYIUPT-ODLJZMMESA-N	532.622	4.381	10	40	KICB	
Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2)cc1Cl	409269199	GWUYSJGAKUIGOV-MTJSOVHGSA-N	505.914	4.038	10	40	KICB	
O=C(COc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O)Nc1ccccc1F	409375307	ITNGEIFRIDTWBI-AQTBWJFISA-N	538.329	4.272	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCC(=O)Nc1ccc(Cl)cc1	409399811	MWTCVMMWKURJPH-NDENLUEZSA-N	536.928	4.126	10	40	KICB	
COc1ccc(N2CCN(S(=O)(=O)c3ccc(NC(=O)c4ccccc4Cl)c(F)c3)CC2)cc1	8810444	ZSJXWRFTWNLNFV-UHFFFAOYSA-N	503.983	4.251	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	59247801	IAQIPPWXSJGIRO-BIWBSIMWSA-N	588.642	4.041	10	40	KICB	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OCc1cccc(C)c1	101394276	KQPLDASZIKXPHA-ONAIEWRJSA-N	533.031	4.247	10	40	KICB	
COC(=O)C[C@H](c1coc2ccc(OC)cc2c1=O)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12	108450109	OSBPJMJOMFIWDL-MRXNPFEDSA-N	530.485	4.387	10	40	KICB	biogenic
CCOC(=O)COc1c(I)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OC	408903213	VTPVCEOLLNRDAT-LICLKQGHSA-N	520.323	4.048	10	40	KICB	
COC(=O)COc1c(I)cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC	409351470	UVERSRCLIKNIRI-CXUHLZMHSA-N	586.385	4.166	10	40	KICB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3F)cc2)C1=O	409382056	KBNZPSRHPJPWPE-AQTBWJFISA-N	507.905	4.471	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)cc(I)c1O	9234714	YLVOHSFOTATTBF-DHDCSXOGSA-N	500.383	4.351	10	40	KICB	
O=C(O)c1ccccc1NS(=O)(=O)c1ccc(NNC(=S)Nc2ccc(OC(F)F)cc2)c([N+](=O)[O-])c1	17466111	FLPRHUCJGALWQU-UHFFFAOYSA-N	553.525	4.009	10	40	KICB	
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O	18181594	AWHFENNDWCBMRU-BHIFYINESA-N	516.893	4.252	10	40	KICB	
COc1ccc(N2CCN(C(=O)c3ccc(OC)c(CN(C)S(=O)(=O)c4ccc(Cl)cc4)c3)CC2)cc1	224795050	UDVMWDAZTHWMHG-UHFFFAOYSA-N	544.073	4.140	10	40	KICB	
COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)ccc1NS(C)(=O)=O	225419135	DPGWXCFJQNMBQR-FTJBHMTQSA-N	548.694	4.441	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCC(=O)Nc3ccccc3)C2=O)cc1	409046456	KGVKMMSBAURMNR-PXLXIMEGSA-N	519.941	4.423	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OC(C)(C)C	409407552	MODGBLJAMSUDLZ-WJDWOHSUSA-N	506.340	4.329	10	40	KICB	
CCN(CC)c1ccc([C@H]2N(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1	1445636	DYMDTYKJLVWRMD-SANMLTNESA-N	513.685	4.235	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)ccc3OCc3ccccc3)C2=O)cc1	6579916	XGBBBFMBNYGWAW-STZFKDTASA-N	535.350	4.481	10	40	KICB	
Cc1ccc2nc(NCCCOC(C)C)c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1	97947285	OYGYWHDPIYPREU-UUYOSTAYSA-N	552.678	4.360	10	40	KICB	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3cc(OC)c(OCC)cc3Br)C2=O)c1	103842208	RKTNQAGRNLPPDC-MHWRWJLKSA-N	533.375	4.320	10	40	KICB	
CCOC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(I)cc3)c2C)C1=O	106746214	BTTBDWMRNONUQH-YVLHZVERSA-N	510.353	4.298	10	40	KICB	
COc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC(=O)c4ccc(Cl)cc4)c(OC)c3)C2=O)c1	408528447	BHGVCFLSSPVSFX-UDWIEESQSA-N	506.898	4.243	10	40	KICB	
COCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(NC(C)=O)cc3)c2C)C(=O)N(c2ccccc2)C1=O	409020999	WRRJZXPSGLRTMD-UQQQWYQISA-N	500.555	4.078	10	40	KICB	
O=C(COc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccccc1F	409389464	ZPWNBMLORXXBPV-WQRHYEAKSA-N	538.875	4.071	10	40	KICB	
CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)CC1	97947683	CKQAPLDQLFFOAJ-KQWNVCNZSA-N	578.716	4.192	10	40	KICB	
CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccc(Cl)cc4)c(Cl)c3)C(=O)N=C2S1	97964418	TUCBXHGIOLRVIW-ISFIWZGBSA-N	539.422	4.072	10	40	KICB	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(C(=O)O)cc3)C2=O)c1	103843771	LEJDZWVTNGDZSV-PXLXIMEGSA-N	530.533	4.428	10	40	KICB	
O=C1NN(C2=NNC3(C(=O)N2)c2ccccc2-c2ccccc23)C(c2ccccc2)=N/C1=C\c1ccc(Cl)cc1	103955655	QETSMULIVAOTPT-ITYLOYPMSA-N	545.002	4.389	10	40	KICB	
O=C1c2cnc3ncnn3c2[C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H](c3cccc(Cl)c3)[C@H]2N1Cc1ccccc1	107913847	OEGVVYYJFPDBND-ARMFNRFLSA-N	561.985	4.475	10	40	KICB	
COC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1Br	408779548	YGIRTVXIKOWOSP-VIZOYTHASA-N	566.202	4.047	10	40	KICB	
CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1I	408852261	RBQMSDNQHSVYCH-NTUHNPAUSA-N	606.129	4.100	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccccc4C)c3C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409037859	UIUJMKFHJLBWOX-PEPUGYCWSA-N	643.762	4.465	10	40	KICB	
CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3ccc(N4CCCC4)cc3)c2=O)=N1	409052867	IUDOYDDUBCDIDI-OWXSRONMSA-N	522.070	4.440	10	40	KICB	
COc1ccc(NC(=O)COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1	409377608	IRHOWASHXPTFOF-KGENOOAVSA-N	550.365	4.142	10	40	KICB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1cccs1	1799497	ZZWKLWAMYDIWQS-YPKVGQCMSA-N	515.660	4.063	10	40	KICB	
COc1ccc(N2CCN(c3ncnc4sc(C(=O)N5CCN(c6ccccc6)CC5)c(C)c34)CC2)cc1	9434285	WOQOSIPTLBLVFW-UHFFFAOYSA-N	528.682	4.297	10	40	KICB	
Cc1cccc(NC(=O)COc2ccc(/C=C3\C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)N=C3O)cc2)c1	33455799	PJMQMLDZMNJDEA-HMAPJEAMSA-N	500.467	4.427	10	40	KICB	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(OC)cc3)c3cc(C)ccc3O2)cc1	224734739	WLSPKCAUZFKMOI-MHZLTWQESA-N	523.655	4.123	10	40	KICB	
O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccccc1OCc1ccc(I)cc1	408694205	FRRRSLIISITFGD-CPNJWEJPSA-N	516.335	4.275	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc2c(c1)OCO2	408850716	CXDGNJIVCDMGSN-SRZZPIQSSA-N	500.507	4.286	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1O[C@@H](C)CC	408950399	JUQXOZSIOFGZED-MJOIQJIUSA-N	531.359	4.420	10	40	KICB	
COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1	409017883	GHXLKBZTQCJFHL-OEAKJJBVSA-N	533.968	4.374	10	40	KICB	
COc1c(I)cc(I)cc1/C=C1\SC(=S)N(C[C@@H]2CCCO2)C1=O	409084266	XJUYEGINYNUIOG-RYPVXOHGSA-N	587.242	4.285	10	40	KICB	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)cc1	32973808	HAUNHZLOMYGEPF-UHFFFAOYSA-N	507.534	4.139	10	40	KICB	
COc1ccc(C)cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)c1C	103593332	KCQHHNNDKVBHGP-ZVPJYGFCSA-N	518.643	4.433	10	40	KICB	
COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C	223743286	PCGMXCXRCNMJHG-DQEYMECFSA-N	506.628	4.201	10	40	KICB	
CCn1c(=O)n(CC)c2cc([N+](=O)[O-])c(N/C=C3\C(=O)N(c4ccc(Br)cc4)N=C3C)cc21	408532030	LUMCQHKISSJOKS-VBKFSLOCSA-N	513.352	4.232	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	408885681	DTKPOJUVEYLUGC-KGENOOAVSA-N	540.981	4.481	10	40	KICB	
O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Br)ccc1OS(=O)(=O)c1ccc(Cl)cc1	409064109	BRHWQPQQIGUDFT-XDHOZWIPSA-N	606.794	4.445	10	40	KICB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3cccc(C(=O)OC)c3C)c2C)C1=O	409243252	RCIDLOOAPAZIAC-RCCKNPSSSA-N	501.539	4.254	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1	8438592	HAPKCIXXSVAWOS-XQNWCSQWSA-N	585.682	4.001	10	40	KICB	
COc1ccc(OC)c(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(=O)(=O)c2ccccc2)c1	10113115	UFNXJYIFCWIFBB-UHFFFAOYSA-N	523.655	4.206	10	40	KICB	
C/C(NCCN1CCN(C(=O)CC(C)C)CC1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	20123497	AWFWWSPHMLUVNV-QLYXXIJNSA-N	530.698	4.101	10	40	KICB	
CCOc1ccc(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	100084831	SMXKFVGTVCSUIZ-UHFFFAOYSA-N	553.681	4.214	10	40	KICB	
COc1ccc(CCN2C(=O)/C(=C/c3c(NC[C@@H]4CCCO4)nc4c(C)cccn4c3=O)SC2=S)cc1	100913553	FTUHYMCQMFLAQV-AHFVYKFHSA-N	536.679	4.046	10	40	KICB	
CN1C(=O)[C@@]2(c3cc(Cl)ccc31)N(C)C[C@@H](c1cccnc1)[C@@]21SC(=S)N(Cc2ccccc2)C1=O	101387038	KYNOTMXSBHKBMJ-KWTBFXGESA-N	535.094	4.435	10	40	KICB	
O=C1S/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)N1Cc1cc2c(cc1Cl)OCO2	106736990	OKQDAFFCLYAWTQ-ZBKNUEDVSA-N	503.920	4.050	10	40	KICB	
COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1OCC(=O)Nc1ccc(C)cc1	408903399	SUOOQYQUPIOEFH-KGENOOAVSA-N	564.392	4.450	10	40	KICB	
Cc1c(C(=O)O)cccc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)o1	409196564	WDIZNJYCBQALFB-UUYOSTAYSA-N	520.519	4.399	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCC(=O)Nc1cc(C)ccc1C	409268492	UNDSQQFOHSWUBP-JAIQZWGSSA-N	641.418	4.306	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)N1CCCC1	409365383	ZCCIMRRNKRDTPD-UUYOSTAYSA-N	512.609	4.221	10	40	KICB	
CC(C)OC(=O)[C@@H](C(=O)C(F)(F)F)c1cc(NS(=O)(=O)c2ccc(Br)cc2)ccc1O	11852728	UBZPUBBGHFLNBA-MRXNPFEDSA-N	524.311	4.122	10	40	KICB	
COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c1OCc1ccc(C(=O)O)cc1	409187164	MYLFCOVPSKOABB-XSFVSMFZSA-N	502.548	4.112	10	40	KICB	
COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c1OCc1ccc(C(=O)O)cc1	409188153	BLUWJYCJKSHQPE-KGENOOAVSA-N	516.575	4.421	10	40	KICB	
O=C(COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O)Nc1ccccc1F	409381169	RWLGHHGQRXTWFG-QGOAFFKASA-N	538.329	4.272	10	40	KICB	
COCCn1c(C)c(CN2CCC3(CCCn4cc(nn4)COc4ccccc4CNC3=O)CC2)c2ccccc21	643589346	VSFKIBONLNIRCM-UHFFFAOYSA-N	556.711	4.459	10	40	KICB	
COc1cc(/C=C2\C(=O)N(c3cccc(C(F)(F)F)c3)N=C2C)cc(Br)c1OCC(N)=O	8444284	CHJIPEQGSPNEFJ-UUASQNMZSA-N	512.282	4.147	10	40	KICB	
Cc1ccccc1[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12	101099847	JIPHVOKKOBXSDY-YPAWHYETSA-N	516.347	4.453	10	40	KICB	
O=C1C(/N=N\c2ccc(S(=O)(=O)Nc3ncccn3)cc2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1	104240915	ROPMBMQGOCGNSH-FLWNBWAVSA-N	557.617	4.095	10	40	KICB	
CCC(=O)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)NC(=O)N(c2cccc(OC)c2)C1=O	408537574	WIXNGYFIRKKXFY-NVNXTCNLSA-N	552.175	4.202	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(I)c1OCc1ccc(C(=O)O)cc1	409073146	PFANUDHYAPNPGW-CIAFOILYSA-N	670.412	4.420	10	40	KICB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3c(C)n(Cc4ccc(C(=O)O)cc4)c4ccccc34)C2=O)o1	409400286	NRGDAEBUEYCPLE-XKZIYDEJSA-N	513.506	4.169	10	40	KICB	
Cc1cccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(S(=O)(=O)CC(C)C)SC4=NC3=O)cc2)c1	97964820	OOYNEQPBTMUTTA-TUKHXMGSSA-N	526.640	4.100	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(N3CCN(c4ccc(F)cc4)CC3)nc12	100860288	LKOVWPXCSCWDGB-XQNSMLJCSA-N	561.664	4.463	10	40	KICB	
CN1C(=O)[C@]2(c3cc(Cl)ccc31)N(C)C[C@H](c1ccco1)[C@]21SC(=S)N(Cc2ccco2)C1=O	106021795	OCHPSJZGZHFTPG-GAZXMLTASA-N	514.028	4.226	10	40	KICB	
COC(=O)C[C@@H](c1cc2ccc(OC)cc2[nH]c1=O)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12	108448189	VCPOBOYQWFUXKM-KRWDZBQOSA-N	529.501	4.122	10	40	KICB	biogenic
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OC(=O)c1ccc(OC)cc1	408537029	UKICARRKBNKIST-PXLXIMEGSA-N	500.507	4.288	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1	408903039	OFPJRRAHMBMVGQ-YBFXNURJSA-N	568.355	4.281	10	40	KICB	
COc1ccc(OC)c([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCCCC5)cc4)c(=O)n32)c1	409058868	LWIJOQCLUGPCMM-ASZNLBCTSA-N	561.704	4.194	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(F)cc4)c(OCC)c3)C2=O)cc1	409363247	KQQAQONZSVLUJV-HZHRSRAPSA-N	547.539	4.307	10	40	KICB	
COc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)ccc1O[C@H](C)c1ccccc1	9291911	XXRKKCFCSOEUOG-WKCLOKEXSA-N	517.611	4.467	10	40	KICB	
O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cc([N+](=O)[O-])ccc3O)[C@H]2C(=O)N1c1ccc(Br)cc1	102732192	SEKXHFOHRWWZLY-HKBOAZHASA-N	510.300	4.114	10	40	KICB	
COc1cc(Br)cc(C(=O)O)c1OCC(=O)N(Cc1ccccc1)Cc1ccccc1O	257332763	XYNZAQDCZSIDGV-UHFFFAOYSA-N	500.345	4.469	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1	408917246	PTFTYXNJKQAESK-ODLFYWEKSA-N	539.972	4.337	10	40	KICB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c1C	409014740	IXGNNQVUYWHHLW-CIAFOILYSA-N	504.568	4.459	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@@H]1c1ccc(SC)cc1	409058794	LGEOLYKNNMOTKJ-OGRZUZBBSA-N	533.719	4.429	10	40	KICB	
CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(N)=O	409223847	IWXIYLPPKAOYLK-UHFFFAOYSA-N	564.392	4.295	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCC(=O)Nc3ccc(F)cc3)C2=O)cc1	409363124	JRPWPTDIGHCJJN-FYJGNVAPSA-N	568.355	4.281	10	40	KICB	
COC(=O)c1ccc(C(=O)OC)c(N=NC(=O)[C@@H](Nc2ccc(N[C@H](C(C)=O)C(=O)N=Nc3cc(C(=O)OC)ccc3C(=O)OC)cc2)C(C)=O)c1	2356096475	JESXXRGFFLPJKL-HNRBIFIRSA-N	716.660	4.193	10	40	KICB	
COc1cc(/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	2283565	UPLJYZMLRKLEOP-RONKMWSCSA-N	500.554	4.203	10	40	KICB	
COc1cccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC(C)(C)C)c2ccc(N(C)C)cc2)c1	6074554	XAWLLWYCMBFIOT-HHHXNRCGSA-N	514.630	4.195	10	40	KICB	
CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(C3CCCCC3)C2=O)CC1	100860890	XCWNKKGHDAZAJX-PGMHBOJBSA-N	540.711	4.316	10	40	KICB	
COc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Br	103851069	KSGMZKCEGJWPHX-UXBLZVDNSA-N	514.170	4.191	10	40	KICB	
O=C1c2cnc3ncnn3c2[C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H](c3cccc(Cl)c3)[C@@H]2N1Cc1ccccc1	107913842	OEGVVYYJFPDBND-RNXOBYDBSA-N	561.985	4.475	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OC(=O)c1ccc2c(c1)OCO2	408530895	FZWZVOJWVNIGEV-UDWIEESQSA-N	514.490	4.008	10	40	KICB	
O=C(COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1	409044276	BMDFBHAAVTXBEG-DEDYPNTBSA-N	565.336	4.041	10	40	KICB	
COc1ccc(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	10113544	NWQRAZYHPGIEQC-UHFFFAOYSA-N	523.655	4.124	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N=C2O)cc(I)c1OCc1ccccc1Cl	27532435	UDRVJUBGXCLCTJ-UHFFFAOYSA-N	512.687	4.122	10	40	KICB	
COc1ccc(CCN2C(=O)/C(=C3/C(=O)N(CC(=O)NCc4ccccc4)c4ccccc43)SC2=S)cc1OC	97946548	CFROXLMFDGPZIO-RQZHXJHFSA-N	573.696	4.181	10	40	KICB	
COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NCCc1c[nH]c2ccc(OC)cc12	100206097	NZXPVWLSLOPFPN-BUVRLJJBSA-N	503.584	4.158	10	40	KICB	
CCc1ccc2c(c1)[C@]1(C(=O)N2)N(C)C[C@H](c2cccc([N+](=O)[O-])c2)[C@]12SC(=S)N(Cc1ccco1)C2=O	103019392	BNLSNCSCPDAPFO-SACAOSOOSA-N	548.646	4.426	10	40	KICB	
COc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccccc2OC(=O)c2ccc(Br)cc2)C1=O	408537996	YGQZHJSTDNQOCY-JXAWBTAJSA-N	521.323	4.343	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1	408814476	ZFVKTMOOQBHCLM-HZHRSRAPSA-N	515.478	4.017	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(I)c1O	408852978	OTYNABRDGHUJKA-WEVVVXLNSA-N	549.173	4.144	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1Cc1ccccc1F	408872255	BZOVAPDOUSVFHW-VXLYETTFSA-N	572.330	4.402	10	40	KICB	
CCN(CC)c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC(C)C)C(C(=O)OCCOC)=C(C)N=3)c(OC)c1	409020098	ZENBUDWTLTYPSD-NNAGEYCMSA-N	593.746	4.067	10	40	KICB	
COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)c2C)c([N+](=O)[O-])c1	409139094	MJVRNASRMRABSF-UDWIEESQSA-N	504.568	4.459	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(N3CCN(c4ccccc4)CC3)nc12	8859443	IBJMBQOCIIQAOY-JWGURIENSA-N	519.696	4.187	10	40	KICB	
Cc1ccc(S(=O)(=O)Oc2cccc(/C=C3\C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)c2)cc1	100266828	IKUDHYXWEUEPDJ-UGIGCIEISA-N	532.603	4.461	10	40	KICB	
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1	408528481	GEAIHQYWMKZWOI-DTQAZKPQSA-N	575.828	4.482	10	40	KICB	
COc1cccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)ccc3OC(=O)c3ccccc3)C2=O)c1	408537825	XLJSTSWTOVPLFS-MOSHPQCFSA-N	521.323	4.343	10	40	KICB	
CCc1cc(Br)ccc1NC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O	408682801	GXGHRQKLJWXTSF-XPNTWCBSSA-N	539.426	4.056	10	40	KICB	
CNc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1I	408742291	QNNZZNMJBRWCDD-WUXMJOGZSA-N	623.641	4.422	10	40	KICB	
Cc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2)cc1	409219582	OHQBKBDVINOTLJ-HMAPJEAMSA-N	534.366	4.441	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(OCC(=O)Nc4cccc(C)c4C)c(OC)c3)C2=O)cc1	409266750	YFKNJCAELVOOEK-MTJSOVHGSA-N	592.004	4.436	10	40	KICB	
N=C1/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12	9424352	NCYRVWOHWBQKLH-DEGVDWGGSA-N	514.586	4.460	10	40	KICB	
CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CC2)cc1OCC	12700213	XDBDKGYMUHRKPD-UHFFFAOYSA-N	511.644	4.038	10	40	KICB	
CCOc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	32109417	QCJXVXBCSPXMAD-SCORJZKRSA-N	512.613	4.437	10	40	KICB	
COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc([N+](=O)[O-])cc2OC)c1C	223727632	KNWQXSQGCKAKCE-LOSJGSFVSA-N	523.615	4.332	10	40	KICB	
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccccc1OCc1cccc(C(=O)O)c1	408901953	CUZXJIJWPREETP-DEDYPNTBSA-N	521.323	4.393	10	40	KICB	
O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	408947287	BTKVIRGCOWOLPY-ZVBGSRNCSA-N	532.509	4.343	10	40	KICB	
COC(=O)COc1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1I	409050200	SLZWPXQRUNQJIA-BJMVGYQFSA-N	566.220	4.345	10	40	KICB	
COc1ccc(C(=O)NN2C(=O)/C(=C\c3cc(Br)c(OC)c(OC)c3)SC2=S)cc1	409330333	KURZHQZTFBZZDZ-MHWRWJLKSA-N	509.403	4.021	10	40	KICB	
CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc1OCC	409376097	UIBCOCOWNPGTNJ-WOJGMQOQSA-N	517.003	4.074	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@H]1c1ccc(OCC)cc1	2164040	TYUFXLVMJAVCKW-SZYVSPPHSA-N	585.682	4.333	10	40	KICB	
Cc1cc(C)cc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCC(C)C)c2ccc(N(C)C)cc2)c1	6193897	WLAZQLYFDQPMIS-DEOSSOPVSA-N	536.702	4.057	10	40	KICB	
Cc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c(C)n1-c1ccc(Cl)c([N+](=O)[O-])c1	101108373	BFHYYEJOFKRWRI-IUSLSNNWSA-N	540.005	4.287	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3OC)C2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	408535884	OWOFFCPBVOFFGX-CPNJWEJPSA-N	576.558	4.005	10	40	KICB	
COC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1I	408763157	NSECDQLZVLKTMJ-AWNIVKPZSA-N	678.071	4.343	10	40	KICB	
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1OCc1ccc2ccccc2c1	409083433	OJCPWXRWKMEBMF-UHFFFAOYSA-N	542.329	4.172	10	40	KICB	
Cc1cc(C(=O)COC(=O)CCc2nc3ccccc3c(=O)[nH]2)c(C)n1-c1ccc(Br)cc1	3296229	FKIPJODLOVJSBH-UHFFFAOYSA-N	508.372	4.452	10	40	KICB	
COc1cc([C@@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)cc(OC)c1OC(C)=O	96114652	JGMRDGJDRDLWCL-INIZCTEOSA-N	518.474	4.255	10	40	KICB	biogenic
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O	100416890	AWHFENNDWCBMRU-FDFHNCONSA-N	516.893	4.252	10	40	KICB	
COc1ccc(N2CCN(C(=O)Cc3ccc(N(C)S(=O)(=O)c4ccc(Cl)cc4)cc3)CC2)cc1	225988176	LTNVZAPYMWYIGC-UHFFFAOYSA-N	514.047	4.065	10	40	KICB	
CC[C@@H](C)Oc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OC	408899755	QFLUTVPOZNEGHL-NGWPFTMJSA-N	534.350	4.452	10	40	KICB	
COCCN1C(=O)/C(=C/c2cn(CC(=O)Nc3ccccc3)c3ccccc23)C(=O)N(c2ccccc2)C1=O	409008926	AIZAYXBJRIRPEM-BWAHOGKJSA-N	522.561	4.305	10	40	KICB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)O)c(Cl)c3)C2=O)cc1OCC	409189790	ITSBWFJEODTDKB-LZYBPNLTSA-N	551.379	4.306	10	40	KICB	
Cc1cccc(OCCCOc2ccc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)cc2)c1	101117538	WTKOOXQIMNSNBL-DZMCVATHSA-N	531.638	4.475	10	40	KICB	
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1	103849720	FUMNDAQNAVSGNK-YBFXNURJSA-N	586.313	4.374	10	40	KICB	
CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1	205710639	YNWUZADICUCPRX-FSJBWODESA-N	570.624	4.446	10	40	KICB	
O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1cc(I)c(O)c([N+](=O)[O-])c1	408723250	SBHKRFYVPXHAPC-YCRREMRBSA-N	564.144	4.043	10	40	KICB	
COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1	408879243	BOVOAGMWGMIPON-HYARGMPZSA-N	519.019	4.417	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409363697	MMZTYGDVZKFQAI-JAIQZWGSSA-N	553.930	4.267	10	40	KICB	
CCOC(=O)COc1c(I)cc(/C=C2\SC(=S)N(CC)C2=O)cc1I	409370178	MJCQLVMIRPTSQZ-GHXNOFRVSA-N	603.241	4.059	10	40	KICB	
Cc1ccccc1NC(=O)COc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-]	409399806	MRYGVTMCDBAOBM-WQRHYEAKSA-N	551.353	4.145	10	40	KICB	
CCOC(=O)[C@@H](C)Oc1c(OC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c1Br	409401540	YZUORHUSXMIMLV-DYTQJMLRSA-N	568.218	4.012	10	40	KICB	
COc1cc(C(=O)Oc2ccc(Cl)cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OC	409407706	GWUAFRVQFIZSHH-UNOMPAQXSA-N	508.914	4.046	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](c4cccc(Br)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	6599850	JJYYJGBNPPQFRO-RJGXRXQPSA-N	574.383	4.321	10	40	KICB	
Cc1cc(/C=C2\C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c(C)n1-c1ccc(Br)cc1	8777670	XXBFNKNIUPBFSC-IWIPYMOSSA-N	556.482	4.395	10	40	KICB	
N=C1/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12	13514411	ULQZFGHISGXFIN-WTPQPOPRSA-N	505.575	4.426	10	40	KICB	
CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCCC2)cc1)c1ccc(Cl)c(C(F)(F)F)c1	13668974	JFPYTSZMIJWDEI-UHFFFAOYSA-N	503.974	4.432	10	40	KICB	
COc1cccc(N2C(=O)N=C3Nc4c(cnn4C(C)(C)C)[C@@H](c4cc(OC)c(O)c(O)c4OC)[C@@H]32)c1	66091705	ZPZAELBLQZMXRW-MOPGFXCFSA-N	507.547	4.040	10	40	KICB	
CCc1cc(C)cc(OCCOc2ccc(/C=C3/C(=N)N4N=C(S(=O)(=O)CC)SC4=NC3=O)cc2)c1	97964778	LXJDCHIJHBAPAW-HTWVIFJXSA-N	526.640	4.027	10	40	KICB	
CCOc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)ccc1OCc1ccc(F)cc1	101134899	FLZWNXOTGGBYMU-DEGVDWGGSA-N	535.601	4.435	10	40	KICB	
CCCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc1OC	408772900	IWLCIJFYRDMJAR-NTUHNPAUSA-N	600.793	4.426	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	408915133	VEOJQDNWFZGIOY-DJKKODMXSA-N	541.894	4.311	10	40	KICB	
COc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc(I)c1OC	409204256	FAJJONVXVLHGMT-OQLLNIDSSA-N	500.383	4.264	10	40	KICB	
COc1ccccc1NC(=O)COc1ccccc1/C=C1\C(=O)NC(=O)N(c2cc(Cl)ccc2C)C1=O	409375629	NFRJSGKRWPYJDX-CPNJWEJPSA-N	519.941	4.341	10	40	KICB	
CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=C/N5CNCCN5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C	936068992	NKXPHCMZBAUXAR-DYJKCZOGSA-N	808.926	4.092	10	40	KICB	
CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\c1c(C)nn(-c2ccc(I)cc2)c1O	997868	PBGYHHIKHIRCDP-WQRHYEAKSA-N	502.287	4.436	10	40	KICB	
O=C1[C@@H]2[C@H](c3ccccc3O)N[C@@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@@H]2C(=O)N1c1ccc(Cl)cc1	9487672	RGTNXIYIQXCACV-HXFQDRMMSA-N	515.953	4.043	10	40	KICB	
CCN1/C(=c2/s/c(=C3/C(=O)N(c4ccccc4)N=C3Nc3ccccc3)n(CC)c2=O)Sc2ccccc21	97994438	SEOUZIVBLBDIEU-ABHBNJMISA-N	539.686	4.251	10	40	KICB	
COc1ccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl	113623864	FFOCFWCXTDMNJJ-UHFFFAOYSA-N	544.073	4.005	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)ccc1OC(=O)/C=C/c1ccccc1	408528074	ARQRYMPYKUZXII-LQKQQMOUSA-N	512.518	4.379	10	40	KICB	
COc1ccc(C2=C/C(=C\c3cc(I)c(OC(C)=O)c([N+](=O)[O-])c3)C(=O)O2)cc1	408742148	NKLCLDSPGOQYQR-VGOFMYFVSA-N	507.236	4.115	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OS(=O)(=O)c4ccccc4)c(Cl)c3)C2=O)cc1	409068068	SPHWSHOMBHMAGH-WOJGMQOQSA-N	547.372	4.436	10	40	KICB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(C)n1-c1ccc(C(=O)O)cc1	409269747	DGVQCJDWYIXMGL-ZVHZXABRSA-N	515.591	4.414	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409363219	KIRNFNSTHKKEMS-ODLFYWEKSA-N	584.423	4.446	10	40	KICB	
Cc1ccc(-n2c(C)cc(CN3CCC4(CCCCNC(=O)c5ccccc5OCCNC4=O)CC3)c2C)nc1	643566591	TXBSAPHXCHVUDO-UHFFFAOYSA-N	543.712	4.489	10	40	KICB	
CN(C)c1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)Cn2nnc(-c3ccccc3F)n2)cc1	887356	LEQKKECXYYPIQQ-GDLZYMKVSA-N	555.658	4.374	10	40	KICB	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OC(=O)c1ccccc1Cl	97964699	CJCZCQWCGFYVME-QAGNQREPSA-N	561.041	4.358	10	40	KICB	
CN1C(=O)C(=Cc2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N(C)C1=S	103856259	SYZUZPQHUGCYJU-UHFFFAOYSA-N	524.780	4.188	10	40	KICB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(I)c(OCC(=O)O)c(I)c1	408782001	UZFFGJVNACUAGS-VGOFMYFVSA-N	588.139	4.165	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(Sc4ncccn4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	409098633	OMYDPFSMTVGRRL-VOSMRYOYSA-N	626.558	4.161	10	40	KICB	
CCOC(=O)COc1c(I)cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1OC	409348231	RRWZDKFQRJCYLQ-QGMBQPNBSA-N	599.424	4.376	10	40	KICB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	409389507	BRFYMRXGIJKDMW-OEAKJJBVSA-N	524.493	4.251	10	40	KICB	
COc1ccc(/C=C2\C(=O)N(c3ccccc3OC)C(=O)N=C2O)cc1CN1C(=O)c2ccccc2C1=O	9044033	RKBZTDKKFSWXKU-ZHZULCJRSA-N	511.490	4.007	10	40	KICB	
CCc1nnc(NS(=O)(=O)c2ccc(N/C=C3/C(=O)N(c4ccc(Cl)cc4)N=C3C)cc2)s1	13130529	OVMLUVFNPOQLMZ-LDADJPATSA-N	503.009	4.273	10	40	KICB	
COc1ccc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1	408531613	HCVNBDISTBHWHJ-ZHZULCJRSA-N	521.323	4.343	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1O[C@H](C)CC	408854511	HCOQZOIJEDQPFL-WJHGTXIHSA-N	578.359	4.262	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408956843	YRUXHDODTFSFIC-QGMBQPNBSA-N	596.346	4.340	10	40	KICB	
COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1cc(C)n(-c2ccc(Oc3ccc(OC)cc3)cc2)c1C	409123111	FAEVSWXJHSNMBD-IWIPYMOSSA-N	505.596	4.468	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc(Br)c1OCC(=O)N1CCOCC1	409243335	XURVDRPOZYAUNE-QNGOZBTKSA-N	577.522	4.139	10	40	KICB	
CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc(I)c1OC	409340135	QYTJTFXNVVUULA-GZTJUZNOSA-N	570.430	4.253	10	40	KICB	
Cc1nn2c(=O)cc(COc3ccc(/C=C4/C(=N)N5N=C(C6CCCCC6)SC5=NC4=O)cc3)nc2s1	97964333	UDZQWZQFJSFUPC-CCOMCPQUSA-N	533.639	4.238	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OCC)cc4)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC	100185758	ZVXBGGPLJBVXBJ-UAMLYEQYSA-N	629.735	4.400	10	40	KICB	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(C)cc3)c3ccc(C)cc3O2)cc1	223316517	LZGRPPKVCLVDMR-MHZLTWQESA-N	507.656	4.422	10	40	KICB	
Cc1c(Br)ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(S(=O)(=O)NCc4ccccc4)cc3)C2=O)c1C	408528172	FKHHOOCFIGSCOW-RCCKNPSSSA-N	583.464	4.123	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	408997060	QKBHADFPCPLLHA-RISWYLRJSA-N	592.073	4.476	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(I)c1OC	409086349	QKUURHGWNJJKAD-CDCQXCROSA-N	505.399	4.079	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(=O)NCc1ccccc1	409249882	JCJNGXDFQCPDBZ-SPMKTWQFSA-N	512.653	4.161	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C	409266329	QSJYZNNTWWSPMB-FYJGNVAPSA-N	517.513	4.135	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C	409267654	VLVJUVXGGMTMNR-DEDYPNTBSA-N	564.392	4.450	10	40	KICB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OCC(=O)Nc4ccccc4F)c3)C2=O)cc1Cl	409371333	VXTDIQATRBIFNR-XDHOZWIPSA-N	507.905	4.471	10	40	KICB	
O=C1N[C@H](c2cc(Br)cc(Br)c2O)[C@@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1	3180183	MHILTQZWXCCEAM-RWSFTLGLSA-N	544.143	4.083	10	40	KICB	
COc1ccc(N(C(=O)CSCC(=O)Nc2cc(C)on2)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)c(O)c2)cc1	8686622	JMANRMWYJJAUPD-MUUNZHRXSA-N	582.679	4.298	10	40	KICB	
CCOC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)N1CCN(c2ccc(OC)cc2)CC1	13564617	KFTLMYAIDHLIOW-UHFFFAOYSA-N	504.562	4.105	10	40	KICB	
Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(I)cc4)C(=O)[C@@H]23)cc1	100414973	BSQRRGBVQCWNAM-FSSWDIPSSA-N	563.347	4.295	10	40	KICB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C2/C(=O)NC(=O)N(c3ccccc3OC)C2=O)cc1	408535415	NZTZOUPKFSVESA-RGEXLXHISA-N	551.349	4.352	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)NC2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408758479	KRZNSSTYIRSIGR-YBEGLDIGSA-N	561.444	4.255	10	40	KICB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCc1ccccc1Br	408891601	TWBIROKBDYOUJL-UHFFFAOYSA-N	540.233	4.104	10	40	KICB	
Cc1cc(N2C(=O)NC(=O)/C(=C\Nc3c(C)nn(Cc4ccccc4)c3C)C2=O)ccc1Br	408996824	KARIHFJQPLQNFQ-XDHOZWIPSA-N	508.376	4.198	10	40	KICB	
CCCOc1ccccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OC)c(=O)n21	409018232	TWLKYORCJADDSI-ACJNQYEBSA-N	593.746	4.068	10	40	KICB	
CCN1C(=O)/C(=C/c2cc(C)n(-c3sc(C)c(C)c3C(=O)OC)c2C)c2cc(S(N)(=O)=O)ccc21	409198578	IANRLTUPUOPPIZ-RGVLZGJSSA-N	513.641	4.114	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc(Br)c1OCC(=O)N1CCOCC1	409222837	XULYURYZIVDZIR-UNOMPAQXSA-N	567.483	4.080	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCC(=O)Nc3ccccc3C)C2=O)cc1	409250170	LNFFDCTXWQKARQ-KGENOOAVSA-N	564.392	4.450	10	40	KICB	
Cc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C1\SC(=S)N([C@H](C)C(=O)O)C1=O	618255032	NOXSOUVDHMVDQZ-CCOVPTLTSA-N	535.441	4.449	10	40	KICB	
Cc1cc(NC(=O)CSCC(=O)N(c2ccccc2)[C@@H](C(=O)N[C@@H]2C=CCCC2)c2ccc(O)c(O)c2)no1	100326757	VCVGILBSZUNMAA-NFQMXDRXSA-N	550.637	4.065	10	40	KICB	
O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCCC2)cc1	113623738	AKUPCPZMTZPYHH-UHFFFAOYSA-N	575.472	4.403	10	40	KICB	
CCN(CC)c1ccc(CNC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)cc1	225502099	CHDVDUKUFFHGOP-UHFFFAOYSA-N	511.644	4.062	10	40	KICB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1cccc(I)c1	408550749	JNZZOXVZGXLJGE-YBFXNURJSA-N	535.407	4.357	10	40	KICB	
CCOC(=O)COc1cc(Br)c(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1OCC	408981306	AEBCIUYUARFEKC-WQRHYEAKSA-N	545.386	4.019	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)OC)cc4C)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	409119653	QGRLQTFWQQOKMX-RGFRMHDHSA-N	585.682	4.219	10	40	KICB	
COc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)cc2OC)c1	409258093	WJVMDNZPNFWVGT-JJUBJSHISA-N	514.625	4.102	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	2063088	UEMPXDCVOLNCIE-ASZNLBCTSA-N	558.679	4.411	10	40	KICB	
COc1cccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]23)c1	8435322	DXGIDUPULYCHNC-FKBYEOEOSA-N	532.346	4.153	10	40	KICB	
Cc1ccc2nc(NCC(C)C)c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1	9461467	YVDAHGVQLSRLRC-UKWGHVSLSA-N	508.625	4.201	10	40	KICB	
Cc1cc(Br)c(N2C(=O)NC(=O)/C(=C/NN3C(=O)c4cccc5c(Br)ccc(c45)C3=O)C2=O)cc1C	100959064	HIGVYMSSTWIXQT-YBEGLDIGSA-N	612.234	4.249	10	40	KICB	
CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCCC5)c(C)c4)c(=O)n32)cc1	409061313	CVPCTTDMFIGZCR-FHMSYZJOSA-N	545.705	4.494	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	2055793	TXUVSHZBIQHLDT-WWWKDLBZSA-N	583.710	4.452	10	40	KICB	
COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)CSc3nc(-c4cccs4)n[nH]3)c2C)c1	13133976	NQPDDLVBACIQAF-UHFFFAOYSA-N	510.597	4.489	10	40	KICB	
Cc1c(/C=C2/C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c(=O)oc2c3c4c(cc12)CCCN4CCC3	100745678	RIBDYOHTAQEBRP-BKUYFWCQSA-N	537.494	4.485	10	40	KICB	biogenic
CCOc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1I	164397305	UBAGTVTXMNBOBP-YRNVUSSQSA-N	622.197	4.265	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3cccc(C)c3)C2=O)cc1	408812883	MNKQFQDTSZZNAJ-OEAKJJBVSA-N	500.507	4.036	10	40	KICB	
CCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1Br	409043272	DPTCCHWZYLEQLS-OQLLNIDSSA-N	566.202	4.453	10	40	KICB	
O=C(COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Br)N1CCOCC1	409378599	QHLDOIBWDLCXOW-UHFFFAOYSA-N	590.430	4.270	10	40	KICB	
O=C1[C@@H]2[C@@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(F)cc1	727802	OICVASDHEJUTFN-PCCBWWKXSA-N	520.310	4.283	10	40	KICB	
O=C1/C(=C/NCCN2CCOCC2)C(CSc2ccc(Cl)cc2)=NN1c1nc2ccccc2s1	22921977	FCSGAYFCGUJQTG-XDJHFCHBSA-N	514.076	4.250	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	100533478	XDONUGPBVIBCDZ-HDFSHUSISA-N	598.681	4.352	10	40	KICB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1	408900163	RTXWMGYMUGJCNU-QJOMJCCJSA-N	520.563	4.218	10	40	KICB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409097856	JNTHOAITHOXGNL-LAUBZIAYSA-N	574.747	4.029	10	40	KICB	
COc1ccc(/C=C2/C(=O)NC(=S)N(C3CCCCC3)C2=O)cc1COc1ccc(NC(C)=O)cc1	2286664	GFMSNAOJHMXHON-HAHDFKILSA-N	507.612	4.192	10	40	KICB	
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCc4c(Cl)cccc4Cl)cc3)C(=N)N21	20205973	YHXQRCPDXXDIDY-MTLBIAMWSA-N	509.396	4.194	10	40	KICB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OCc1ccccc1F	101396102	OJLFRVYPHMPRAJ-XKPYOKEHSA-N	530.603	4.061	10	40	KICB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C	223190825	JKJDUPOIXFAPIB-RRPNLBNLSA-N	533.698	4.191	10	40	KICB	
COC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1I	408762176	NNBRRCKEIFPVFE-AWNIVKPZSA-N	725.071	4.185	10	40	KICB	
CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1	408778173	QAAZNNURGHAFII-BPTDDQHESA-N	534.609	4.027	10	40	KICB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c1C	409021198	YYRREFYJWBXNDY-WGOQTCKBSA-N	575.647	4.396	10	40	KICB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2cc(Br)c(OCC(=O)O)c(Br)c2)C1=O	409070831	PARYBTIMEGEEMO-UUILKARUSA-N	572.593	4.303	10	40	KICB	
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C(=O)NC2=S)c(OC)c1	409095193	HMTAOLVCICNMHB-MHWRWJLKSA-N	513.915	4.357	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F	409370410	QKZKRMKVDKCGSK-BOPFTXTBSA-N	539.972	4.337	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(OC)cc1	409387718	SMDCYAGFRYFYEV-MTJSOVHGSA-N	565.966	4.137	10	40	KICB	
COc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1OC	2374218	IKVBVDDEKXJZIE-SDQAEVJQSA-N	529.578	4.224	10	40	KICB	
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccccc1OC(=O)c1ccc2c(c1)OCO2	408530334	FALPJBLPDVQHRK-WQRHYEAKSA-N	535.306	4.063	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	408533292	JVYUQFUJLHJQEX-ZAMXYLRYSA-N	527.489	4.197	10	40	KICB	
O=C1NC(=S)NC(=O)C1=Cc1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1	408900557	WBCAZVUAHRKXAE-UHFFFAOYSA-N	624.625	4.043	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409080419	NPEZWKXJJMKZHR-VCHYOVAHSA-N	563.435	4.269	10	40	KICB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4)c(C(=O)O)c3)C2=O)cc1OC	409214228	WYFFUUOBDHOMGT-PXLXIMEGSA-N	530.533	4.428	10	40	KICB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)C1=O	409230521	ZBNUTBGKZXVAPY-CPNJWEJPSA-N	504.499	4.076	10	40	KICB	
CCCOc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc1OC	409364191	VTWLCGAVQLIFTP-GZTJUZNOSA-N	503.349	4.312	10	40	KICB	
COc1ccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2OC)cc1	409385220	GUZGURYFRFZAQO-JMIUGGIZSA-N	625.388	4.058	10	40	KICB	
Cc1ccc(CN2C(=O)/C(=C/c3c(N4C[C@H](C)O[C@H](C)C4)nc4c(C)cccn4c3=O)SC2=S)cc1	12614326	UHYAQIVTQDGDKM-SPMCPBLHSA-N	520.680	4.326	10	40	KICB	
CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)c(C)cc2[nH]c1=O)N1CCN(c2ccc(OC)cc2)CC1	20079940	BWERPFZFQJKAKP-SANMLTNESA-N	515.662	4.197	10	40	KICB	
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1OCc1ccccc1F	59139819	QTLZONJFYADVPS-UHFFFAOYSA-N	507.381	4.165	10	40	KICB	
COc1ccccc1N1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(CC(C)C)C2=O)CC1	100860927	TUDCKNIJJQRNBZ-HAHDFKILSA-N	549.722	4.195	10	40	KICB	
Cc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccc(O)cc2)C1=O	409268236	ZYRBXHVYNKVTOM-MOSHPQCFSA-N	505.914	4.038	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccc(F)cc1	100747201	KUHFCAWQBHBJBK-GVMLUORFSA-N	560.607	4.253	10	40	KICB	
COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C	101093615	PTFHXCDRDNHVTE-DJKKODMXSA-N	565.467	4.378	10	40	KICB	
CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C(=O)NC2=S)c1	408743159	ZMOSYLVLDYVSMK-OEAKJJBVSA-N	503.536	4.404	10	40	KICB	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc5c(c4)OCO5)cc3)C2=O)c1	408846380	NCMCJCCJKMMQAG-LPYMAVHISA-N	530.533	4.458	10	40	KICB	
O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	408913125	KVKVBDKBXNMSQS-YBEGLDIGSA-N	500.236	4.423	10	40	KICB	
CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1Br	408914890	ZMFBIZVOSOYGCN-AWNIVKPZSA-N	512.129	4.416	10	40	KICB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1cccc(OC)c1	409002592	VIXAISHWKGTLEL-ZHGFHMGHSA-N	583.710	4.496	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	409059747	XKAIHSYDCCWMSF-KEBDBYFISA-N	564.938	4.249	10	40	KICB	
COc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC	409211022	KFFPRXFJIUBTNZ-VZUCSPMQSA-N	500.132	4.440	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1	409262706	ISZPJJFSJDKRJI-NHDPSOOVSA-N	641.418	4.306	10	40	KICB	
Cc1ccc(N2C(=O)/C(=C/c3cc(Br)c(O)c(Br)c3)C(=O)NC2=S)cc1C	714676	JJNHDTZGKXLFPN-AWNIVKPZSA-N	510.207	4.365	10	40	KICB	
CCOCCCN1C(=O)/C(=C\c2c(N3C[C@H](C)C[C@@H](C)C3)nc3c(C)cccn3c2=O)SC1=S	8856715	RPLZPJKRIIZKMS-JVCUKQJDSA-N	500.690	4.113	10	40	KICB	
COc1ccc(N2CCN(C(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(SC)cc3)CC2)cc1	20060807	LYWRKNRBBCQPDC-UHFFFAOYSA-N	525.696	4.270	10	40	KICB	
CCOCCCN1C(=O)/C(=C/c2c(N3C[C@H](C)C[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S	26533682	CRJICTMTYYSERK-HOEOUTIMSA-N	500.690	4.113	10	40	KICB	
O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)Nc3ccc(O)cc3)C2=O)SC1=S)Nc1ccc(O)cc1	97945889	IYHAIELRDSDUJN-QURGRASLSA-N	616.768	4.168	10	40	KICB	
COc1ccc2c(c1)[C@]1(C(=O)N2C)N(C)C[C@H](c2cccs2)[C@@]12SC(=S)N(Cc1ccco1)C2=O	101443842	JSFJINBXYPDTFB-XYHYBEPMSA-N	525.677	4.050	10	40	KICB	
CCOc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)c1	408874716	FRDLCKWASHMHFS-LZYBPNLTSA-N	510.715	4.318	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1	408911547	NUNGDOYVICBJGR-VXLYETTFSA-N	523.904	4.172	10	40	KICB	
COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1	409013288	UGZQCPINESQSMM-DEDYPNTBSA-N	530.961	4.428	10	40	KICB	
COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1OCc1ccc(C(=O)O)cc1	409186619	FQELNHZGUOVCMX-DEDYPNTBSA-N	551.349	4.401	10	40	KICB	
COC(=O)c1c(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(OC)c4)C3=O)c2C)sc(C)c1C	409204274	DMEZVTXDGDUVBW-RGVLZGJSSA-N	507.568	4.234	10	40	KICB	
Cc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Br	409262424	DLNJTQFOYWDKFS-UNOMPAQXSA-N	579.363	4.350	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OC	103814567	KPHRQNQANBPGBG-NTUHNPAUSA-N	571.165	4.046	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OC(=O)c1ccc(OC)cc1	408533727	KOYLKXPPEPJOFE-PXLXIMEGSA-N	500.507	4.288	10	40	KICB	
Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O	408691328	ZJHHYVOQCCEMOE-HMFYCAOWSA-N	559.844	4.455	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409365604	UWGHJKXJVAHLQM-MTJSOVHGSA-N	687.418	4.300	10	40	KICB	
CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cn(Cc4ccc(C(=O)OC)o4)c4ccccc34)C2=O)c1	409391101	HCHZXROTWYABFH-LPYMAVHISA-N	513.506	4.134	10	40	KICB	
CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(C(=O)OC)cc3)SC2=S)cc1	8819549	FIDLOOHPIBOFJT-HKWRFOASSA-N	512.609	4.270	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)OCC)c4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	59247796	YAXRESCDCVWZOM-OXWVMCNISA-N	585.682	4.301	10	40	KICB	
CCOc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OCc1cccc(C)c1	97964464	DVRBWTPRUBBNBL-ONAIEWRJSA-N	533.031	4.247	10	40	KICB	
COc1ccc([C@H]2CN(C)[C@@]3(C(=O)Nc4ccc(F)cc43)[C@]23SC(=S)N(Cc2ccco2)C3=O)cc1OC	98007433	BCSXQFCGLJZPIU-VHEIIQRDSA-N	553.637	4.112	10	40	KICB	
O=C(CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)Nc3cccc(F)c3)C2=O)SC1=S)Nc1cccc(F)c1	101002394	ZOKALHBXCPNJPC-FMQUCBEESA-N	592.696	4.254	10	40	KICB	
O=C(COc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(O)cc2)C1=O)Nc1ccc(Cl)c(Cl)c1	408552909	LPYVADPCNDDJBQ-WQRHYEAKSA-N	526.332	4.383	10	40	KICB	
COc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)C(=O)NC2=S)cc1	408753169	IJWHGUHILPZHIE-HMAPJEAMSA-N	566.433	4.307	10	40	KICB	
COc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc2OC)cc1	409377357	GXEQVSVKEASAIS-CIAFOILYSA-N	535.940	4.041	10	40	KICB	
CCOc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1I	103851748	SMYNCUZZQXEDRL-YRNVUSSQSA-N	575.197	4.423	10	40	KICB	
Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1	104927655	QCIIKICYBFAQAA-PXLXIMEGSA-N	555.473	4.488	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1ccccc1Br	408882390	QYWISMZIVSQZLZ-XDHOZWIPSA-N	523.339	4.409	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1	409259933	HZMDEYHSYRRRKN-LPYMAVHISA-N	517.513	4.135	10	40	KICB	
COc1ccc(NC(=O)COc2c(Cl)cc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)cc2OC)cc1	409377599	JERSTKBWHOUHLR-RGVLZGJSSA-N	553.930	4.180	10	40	KICB	
CC1(C)C=C(CN2CCN(c3ccc(F)cc3)CC2)c2cc(F)cc3c2N1C(=O)/C3=C1\SC(=S)NC1=O	1554503257	SOHNXWNCHHWKOQ-LNVKXUELSA-N	538.645	4.168	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccc(F)cc1	2159128	KUHFCAWQBHBJBK-RISWYLRJSA-N	560.607	4.253	10	40	KICB	
Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)cc1	6245115	RXXOCEOPGDOMNV-XMMPIXPASA-N	534.686	4.036	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(C(=O)O)cc1	9310854	CLSIRBQMSXAGPB-BKUYFWCQSA-N	502.548	4.112	10	40	KICB	
COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1	409015562	SNGZXQYFXYRAHG-BUVRLJJBSA-N	513.550	4.029	10	40	KICB	
COc1ccc(N2CCN(C(=O)CN(c3cc(Cl)ccc3OC)S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc1	409176993	AEEIENYMVUXOKV-UHFFFAOYSA-N	589.070	4.118	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc(I)c1OC	409247927	FBRVQSSEKQMIKR-XYOKQWHBSA-N	542.782	4.183	10	40	KICB	
O=C(COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I)Nc1ccc(Cl)cc1	409399796	MNDWLNFSGAUUOJ-UNOMPAQXSA-N	573.774	4.424	10	40	KICB	
COc1cc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)ccc1OCc1ccc(Cl)cc1	17167138	GEXJCLNTMJYORC-XKZIYDEJSA-N	511.987	4.381	10	40	KICB	
CCN1CCN(Cc2c(O)ccc3c(-c4cc5cc(Br)ccc5oc4=O)cc(=O)oc23)CC1	20611599	RCAZFRAZCTXMQB-UHFFFAOYSA-N	511.372	4.172	10	40	KICB	biogenic
COc1ccc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccc(F)cc43)[C@]23SC(=S)N(Cc2ccco2)C3=O)cc1OC	103019367	BCSXQFCGLJZPIU-PIVNMMCNSA-N	553.637	4.112	10	40	KICB	
Cc1cc(N2C(=O)NC(=O)/C(=C\NC(=S)Nc3cccc4ccccc34)C2=O)ccc1Br	408530132	ITMXSZDXZWZNOU-SFQUDFHCSA-N	509.385	4.364	10	40	KICB	
CCOC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OCC	408753826	KNSFUHZRGPVJSA-CXUHLZMHSA-N	657.255	4.369	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(I)c1OCc1cccc(F)c1	409371005	CHRSJAUFXGVOSE-GIJQJNRQSA-N	576.318	4.273	10	40	KICB	
COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCc2ccccc2)c2ccc(N3CCOCC3)cc2)cc1	922675	JGLLTJFZQAVCQG-XIFFEERXSA-N	590.684	4.367	10	40	KICB	
COc1ccc(CCN2C(=O)/C(=C/c3c(NCC(C)C)nc4ccccn4c3=O)SC2=S)cc1OC	8834841	HQYLEMRHESPSHB-STZFKDTASA-N	524.668	4.224	10	40	KICB	
Cc1ccc2nc(N3CCN(c4ccc(F)cc4)CC3)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1	97947293	ZVIQOBRUFPBIEV-HAHDFKILSA-N	561.664	4.463	10	40	KICB	
COc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(Cl)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1OC	100414717	VOPNBHWRSUPTKS-XPWALMASSA-N	517.921	4.052	10	40	KICB	
CC[C@@H](C)N1C(=O)/C(=C/c2c(N3CCN(c4ccc(OC)cc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	100763638	LNMQONSXVCQTPD-CCQQXMDGSA-N	549.722	4.338	10	40	KICB	
COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C(=O)O)ccc2C)c1C	223728233	XMCLRWKDOQHHOP-LOSJGSFVSA-N	506.628	4.421	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)ccc1OC(=O)c1ccc2c(c1)OCO2	408538234	ZKMYCXHFMBPLKJ-YBFXNURJSA-N	626.359	4.304	10	40	KICB	
O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)cc(Br)c1O	408723521	WFAPPFZWPDAHPO-LFYBBSHMSA-N	516.598	4.402	10	40	KICB	
Cc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2Cl)c(C)c1	97964414	RSKAGRVSUQNBEX-LXEXHQCYSA-N	533.031	4.036	10	40	KICB	
COC(=O)c1c(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)sc(C)c1C	100885074	RYPUVJTXNMPBRA-ZLNRFVROSA-N	505.596	4.269	10	40	KICB	
CN1C(=O)C(=Cc2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N(C)C1=S	103856262	QTMCSLTVIYYZLS-UHFFFAOYSA-N	524.780	4.188	10	40	KICB	
CCN(CC)c1ccc(CNC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	225699422	FLOPHYPNGIPUAA-UHFFFAOYSA-N	571.696	4.079	10	40	KICB	
CCOC(=O)COc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1I	408981838	CXNDZYKFWORKEC-NSIKDUERSA-N	694.647	4.466	10	40	KICB	
COc1ccc(N2C(=O)C(=Cc3cc(OC)c(OC)c(OC)c3)C(=O)N(c3ccc(OC)cc3)C2=S)cc1	408987266	FLDBHPCHKLLBLV-UHFFFAOYSA-N	534.590	4.478	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1	409048725	SUOKSLUWGSTKBH-XDHOZWIPSA-N	505.914	4.033	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OS(=O)(=O)c1ccccc1	409069687	XAOKCFMTDWZSGO-XDHOZWIPSA-N	526.954	4.091	10	40	KICB	
Cc1cc(C)cc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCc2ccccc2)c2ccc(N(C)C)cc2)c1	6193943	QVIAZTXROQNGLC-AREMUKBSSA-N	556.692	4.212	10	40	KICB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c(C)c1	100858508	ICROHRFYGWHVEZ-UUMRFZBWSA-N	525.677	4.245	10	40	KICB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1cc(Cl)ccc1O	223133173	USQNLASGNNASKB-JWQCQUIFSA-N	512.079	4.153	10	40	KICB	
Cc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	408587897	AMNNNKKGOFMRSU-DEDYPNTBSA-N	518.595	4.264	10	40	KICB	
Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1cccc(I)c1	408692447	MSCOTYKYIAMMDX-YBFXNURJSA-N	503.340	4.103	10	40	KICB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])C2=O)cc1	408981789	BUUZXWQRSJIMLA-BKUYFWCQSA-N	501.495	4.411	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@H]1c1ccccc1	409022293	MEQUFBKHGPDTHY-RGFRMHDHSA-N	569.683	4.301	10	40	KICB	
CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O	409049953	RRHYMBLLQRZUEJ-RIYZIHGNSA-N	539.136	4.185	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCC(=O)Nc3ccc(C)cc3)C2=O)cc1	409222292	BQMBTSBPNKXYPO-HYARGMPZSA-N	547.951	4.119	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4C)c(OC)c3)C2=O)cc1	409257147	RAVRUACDZQYVLL-PXLXIMEGSA-N	529.549	4.086	10	40	KICB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	409407587	MVBNFFCVAADJQO-ODLFYWEKSA-N	540.345	4.076	10	40	KICB	
Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCc2ccccc2)c2ccc(N(C)C)cc2)c1C	6442800	LYMOLTXJLVQDHX-SANMLTNESA-N	556.692	4.212	10	40	KICB	
O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccccc1I	408553434	ZAQANOOMGCSVSS-YRNVUSSQSA-N	503.148	4.429	10	40	KICB	
COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3)CC2)cc1	408560808	QEZBQDFYKXENFP-UHFFFAOYSA-N	549.571	4.242	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccccc4)c(Cl)c3)C2=O)cc1	409074954	OZFZGANYHNYBFR-XSFVSMFZSA-N	526.954	4.173	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(Sc4ncccn4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	409098630	OMYDPFSMTVGRRL-FGGAIWKESA-N	626.558	4.161	10	40	KICB	
CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)c(O)c3)C2=O)ccc1Cl	409157369	IXRBHERWRROWCH-VXLYETTFSA-N	504.948	4.383	10	40	KICB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c1C	409192397	CGXFZCZQLFBNCM-YBFXNURJSA-N	509.971	4.286	10	40	KICB	
CCCCN1C(=O)C(=C/C=C\C=C2/Oc3ccccc3N2CCCS(=O)(=O)O)C(=O)N(CCCC)C1=S	3873770	SKDUSRXOWAXOCO-MBABDBFKSA-N	547.699	4.043	10	40	KICB	in-vitro
O=C(O)COc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1I	408774977	DVMXUDRHGJBKDS-XCVCLJGOSA-N	703.079	4.497	10	40	KICB	
CC[C@@H](C)Oc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc1OC	409013293	UHVIAQHPCNVING-VGSSETLESA-N	519.417	4.475	10	40	KICB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccccc3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1OC	409123213	AMSGQJBANDETKK-HAVVHWLPSA-N	564.616	4.222	10	40	KICB	
COC(=O)[C@H](Cc1ccccc1)NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21	1565524674	RRQJHWBFJPKXSV-QCDSWUKFSA-N	536.632	4.079	10	40	KICB	
CCOC(=O)c1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]23)cc1	4179591	QEPAUKLNPDFOAU-VABKMULXSA-N	529.932	4.212	10	40	KICB	
COc1cccc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c1OCc1ccc(C(=O)O)cc1	409186525	DGNAULFCOZSVOR-HYARGMPZSA-N	516.575	4.421	10	40	KICB	
Cc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O	409260804	WSYASNLNGUJDJY-MOSHPQCFSA-N	579.363	4.350	10	40	KICB	
CCOC(=O)c1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]23)cc1	1310391	RFWAFXINYQOYHJ-XPWALMASSA-N	529.932	4.212	10	40	KICB	
Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC1CCCCC1)c1ccc(N(C)C)cc1	6443959	WQUCZHYOVOSKSD-DEOSSOPVSA-N	534.686	4.036	10	40	KICB	
O=C1[C@@H]2[C@@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1	13304641	LKDDVTHACFNPGB-PCCBWWKXSA-N	502.320	4.144	10	40	KICB	
COc1cc(/C=C2\SC(=S)NC2=O)cc(I)c1OCCOc1ccccc1	13892934	PTAUVVGHDWSHDF-WJDWOHSUSA-N	513.378	4.246	10	40	KICB	
CCc1nn2c(=O)cc(COc3ccc(/C=C4/C(=N)N5C(=NC4=O)SN=C5SC(C)C)cc3)nc2s1	101498239	XHKQIOMWKBQZMP-VOECXEDKSA-N	539.668	4.011	10	40	KICB	
O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1O	408723056	PYKQGBIKCFBUHQ-WUXMJOGZSA-N	516.598	4.402	10	40	KICB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OC)cc2OCc2ccc([N+](=O)[O-])cc2)C1=O	408879049	AKLONTHYWAVBEA-HMAPJEAMSA-N	501.495	4.411	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	408888781	APAWVNDEABOOMX-UDWIEESQSA-N	540.981	4.400	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	409018250	SLRPIDLDZAUDMQ-UAMLYEQYSA-N	629.735	4.318	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C	409261818	DGAPUNNGKWTPJK-HAHDFKILSA-N	571.586	4.173	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCC(=O)Nc3ccc(OC)cc3)C2=O)cc1	409388838	WNSRPZIQDPDYOR-HZHRSRAPSA-N	549.967	4.431	10	40	KICB	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-n1c(C)cc([C@@H]2NC(N)=Nc3nc4ccccc4n32)c1C	12578068	WLYLHUMHAGMKDB-RUZDIDTESA-N	517.659	4.023	10	40	KICB	
CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCN(c2ccc(OC)cc2)CC1	19941683	PQINHBIAIOLOCR-AREMUKBSSA-N	515.662	4.197	10	40	KICB	
COc1ccc(N2CCN(CN3C(=O)[C@@]4(OC[C@@H](COc5ccc(Cl)cc5)O4)c4ccccc43)CC2)cc1	98007896	JJYXTUXQRGSHTA-VAVYLYDRSA-N	536.028	4.122	10	40	KICB	
O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc(Cl)cc1Cl	408685262	LDCPCGYEUJEALQ-WFXMLNOXSA-N	501.366	4.038	10	40	KICB	
O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	408692774	VBNRDCVQMQAREJ-WOJGMQOQSA-N	561.332	4.183	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	409056779	IJFPTVHWEGEKGM-RGFRMHDHSA-N	561.704	4.114	10	40	KICB	
COc1ccc(OC)c([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCCC5)cc4C)c(=O)n32)c1	409061999	LHSYYELHFIGJNK-PRLWALMFSA-N	561.704	4.113	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)N1CCOCC1	409244415	CHYQOTISIKZMPK-ZHZULCJRSA-N	563.495	4.491	10	40	KICB	
O=C(NCc1ccccc1)[C@@H](c1ccc(O)c(O)c1)N(C(=O)Cn1nnc2ccccc21)c1cnc2ccccc2c1	906304	YGECADKLNRDFJL-WJOKGBTCSA-N	558.598	4.482	10	40	KICB	
COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1	103920205	DFRDNPAHPZGQOD-UCQKPKSFSA-N	598.066	4.192	10	40	KICB	
O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(O)c(I)c1	408849196	VLVXMIVIMVNFPF-RMKNXTFCSA-N	519.147	4.135	10	40	KICB	
Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1	409041200	JBVRIPZAVCAHFH-FYJGNVAPSA-N	579.363	4.350	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OS(=O)(=O)c1ccccc1	409067838	QCMCBXCNAZMYMB-XDHOZWIPSA-N	526.954	4.091	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@@H]1c1cccs1	8438597	XJLZSRXNHSXGSF-XSZPGNIMSA-N	561.685	4.054	10	40	KICB	
COCCn1c(-c2ccc(F)cc2)cnc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	8690258	YALCPVJXBQVLCU-UHFFFAOYSA-N	532.663	4.241	10	40	KICB	
Cc1ccc(OCCOc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2Cl)c(C)c1	101394814	BBLDPSIEXQEDGK-LXEXHQCYSA-N	533.031	4.036	10	40	KICB	
O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12	408543408	QXWITGQEHGFDND-YBFXNURJSA-N	505.939	4.466	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	408725819	KWAVXHWPSKTUAC-RYOBIWAXSA-N	540.689	4.272	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	408939388	SAPCYOQDFWTWED-FYJGNVAPSA-N	532.465	4.147	10	40	KICB	
COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1	409183612	CLJIHWOKXFRTEQ-MYYYXRDXSA-N	543.576	4.037	10	40	KICB	
CN(C)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)cc1Br	409276131	OAQSCGNYTSSNTE-STZFKDTASA-N	545.459	4.027	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1	409365139	STVOYRQNRTYTBV-XKZIYDEJSA-N	517.513	4.135	10	40	KICB	
Cc1ccccc1[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12	101099849	JIPHVOKKOBXSDY-BHDDXSALSA-N	516.347	4.453	10	40	KICB	
CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OCC)cc3)C2=O)cc1OCC	408801735	BGTASSFXOYICML-LDADJPATSA-N	500.935	4.371	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(NC(C)=O)cc4)c3C)c(=O)n2[C@H]1c1ccc(C)cc1	408836413	QZSQPZOFYPZNKB-HRIDGTDGSA-N	568.699	4.473	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)NC2=O)cc(Br)c1OS(=O)(=O)c1ccccc1	408885707	FGDOSNGOBUFYIK-GDNBJRDFSA-N	500.417	4.104	10	40	KICB	
O=C1NC(=O)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1	408943866	SNTTYLBYGGRUHO-UDWIEESQSA-N	521.869	4.192	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccccc4C)c3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409037856	UIUJMKFHJLBWOX-NXYYLBPMSA-N	643.762	4.465	10	40	KICB	
O=C(O)COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O	409050787	ZRVJMQUBAPXMTN-FYJGNVAPSA-N	551.349	4.158	10	40	KICB	
CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(s/c(=C/c3ccc(N4CCCC4)cc3C)c2=O)=N1	409054138	MZLGCULGTSAJNY-QWYUUOJISA-N	545.705	4.496	10	40	KICB	
COC(=O)C[C@@H](c1ccnc2ccccc12)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	96222516	JAIJLTALXAQIJH-INIZCTEOSA-N	515.474	4.231	10	40	KICB	biogenic
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cc(C)cc(C)c4)c(OC)c3)C2=O)cc1	408893690	HPZSGICTYHKMIX-OEAKJJBVSA-N	514.534	4.344	10	40	KICB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OS(=O)(=O)c4ccc(Cl)cc4)c3)C2=O)cc1C	409068406	SOAREEWAHSAGNK-HMAPJEAMSA-N	510.955	4.391	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4C)c(Br)c3)C2=O)cc1	409255164	ZIUCMEWWQAFBDL-DEDYPNTBSA-N	564.392	4.450	10	40	KICB	
Cc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O	409401383	XSQOCHDCMLJABL-ZHZULCJRSA-N	506.356	4.236	10	40	KICB	
COc1ccc(CN2C(=O)/C(=C/c3c(NC[C@H](O)c4ccccc4)nc4ccccn4c3=O)SC2=S)cc1	101062086	DNSWNGGAYTVKRP-PZLPMSIKSA-N	544.658	4.250	10	40	KICB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c(OCc2cccc([N+](=O)[O-])c2)c1	408798330	HTHWCEHVHNRPHI-LPYMAVHISA-N	501.495	4.466	10	40	KICB	
CCCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1OC	408801093	SRMDZPUCMJDXFP-UKTHLTGXSA-N	540.741	4.408	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OC(C)C	408804352	XVHHPEYYGMWTKC-LZYBPNLTSA-N	518.320	4.210	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	408880536	JPBKWORLNNIGCY-UYRXBGFRSA-N	505.458	4.378	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc(Br)c1OC	409096602	KMXIYDIXHIWVDP-POHAHGRESA-N	500.132	4.440	10	40	KICB	
CCc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3OCc3ccc(C(=O)O)cc3)C(=O)NC2=S)cc1	409187056	LLOIMNSXZQIJGL-PXLXIMEGSA-N	516.575	4.366	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)ccc3OCC(=O)Nc3ccccc3Cl)C2=O)cc1	409251579	AKKPCYBQQCLYCY-UYRXBGFRSA-N	568.369	4.464	10	40	KICB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)cc([N+](=O)[O-])c1OCc1ccc2c(c1)OCO2	409399836	NLDLNQKLTBBUIH-ZDLGFXPLSA-N	538.310	4.126	10	40	KICB	
CN1C(=O)/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21	8777589	PTWWTNFGHHMQJT-XYGWBWBKSA-N	531.609	4.367	10	40	KICB	
CCOC(=O)N(C)CCc1cc2c(c(OC)c1/C=C1/C(=O)N(c3ccc(C)c(C)c3)C(=O)N=C1O)OCO2	17195646	AWSFOPDADFZTAQ-DEDYPNTBSA-N	523.542	4.178	10	40	KICB	
Cc1ccccc1[C@@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccccc3Br)C(=O)[C@@H]12	100676784	FAFWLOVVHCVDRI-FSSWDIPSSA-N	516.347	4.453	10	40	KICB	
CCCCN1C(=O)/C(=C\c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	100860317	SSVATXKABCMDDS-CJLVFECKSA-N	537.686	4.470	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1OCc1ccccc1F	408692889	XQJDGQKDDAVTJW-LICLKQGHSA-N	564.351	4.422	10	40	KICB	
COc1ccc(N2C(=O)/C(=C\c3ccccc3OS(=O)(=O)c3ccc4ccccc4c3)C(=O)NC2=S)cc1	408763524	FZNLHNGPVIRXFI-ULJHMMPZSA-N	544.610	4.447	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(C(=O)O)cc1	409067040	NNIHEVOFZXFUNH-YBFXNURJSA-N	598.349	4.243	10	40	KICB	
Cc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl	409262152	CWVFRKNGTXFYJD-ODLFYWEKSA-N	534.912	4.241	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(Br)cc1OCc1ccc(F)cc1	409371122	DHEOXDWQNRRELE-GIJQJNRQSA-N	529.318	4.431	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)C[C@H](N3C(=O)/C(=C/c4ccc(Cl)cc4)SC3=S)C2=O)cc1	1440502	FUHIUOJBVQGWJX-PBXDPIQXSA-N	500.985	4.050	10	40	KICB	
CCN1C(=O)/C(=C/c2c(N3CCN(c4cccc(Cl)c4)CC3)nc3c(C)cccn3c2=O)SC1=S	2671591	JJZIOIMIAZADIH-HKWRFOASSA-N	526.087	4.204	10	40	KICB	
CCOCCCN1C(=O)/C(=C\c2c(N3C[C@@H](C)C[C@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S	8856634	CRJICTMTYYSERK-XENGFHBVSA-N	500.690	4.113	10	40	KICB	
CCOc1cc(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc(OCC)c1OCC	12651594	HMHXLQMGCYPNAP-UHFFFAOYSA-N	517.534	4.454	10	40	KICB	
CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCS(=O)(=O)O)C2=O)c1	58993057	RSKPGVNRZFSJCJ-QNGOZBTKSA-N	529.665	4.417	10	40	KICB	
CCOc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4Cl)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1	250639614	WGAISVGMHAGGNC-YTFSRNRJSA-N	501.922	4.434	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1	408801773	VRVQQAVZVDNZDH-RGVLZGJSSA-N	657.373	4.240	10	40	KICB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OC)cc2OCc2cccc([N+](=O)[O-])c2)C1=O	408871231	YEOQDAVUAWRLSF-HMAPJEAMSA-N	501.495	4.411	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1	409024457	YOJHFZWDIKREKC-NULZLWRNSA-N	599.709	4.309	10	40	KICB	
CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccc(C)cc2)S1	409085962	UBNRDULNOSFLKB-LZYBPNLTSA-N	574.272	4.394	10	40	KICB	
CCOc1cc(OCC)c(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc1Br	409173924	PMBJODODHMDTKO-GXDHUFHOSA-N	505.390	4.086	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-]	409346228	NTAGABPBAMEBKM-BOPFTXTBSA-N	514.566	4.398	10	40	KICB	
COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)SC2=S)cc1	409349016	UNWUGZSNBRWCRD-XKZIYDEJSA-N	585.641	4.226	10	40	KICB	
O=C(COc1ccc(Br)cc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O)Nc1ccccc1F	409380439	DLPKYTFQWCFISC-AQTBWJFISA-N	554.397	4.437	10	40	KICB	
CCN(CC)c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O	8834827	JJDVWZKTSRRSQI-PGMHBOJBSA-N	524.668	4.002	10	40	KICB	
COC(=O)C[C@H](c1cc2cc(OC)ccc2[nH]c1=O)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12	108450038	DVXMNYBYTPCUMQ-QGZVFWFLSA-N	529.501	4.122	10	40	KICB	biogenic
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCC(=O)O	409043592	RTIUQRARMMVLQJ-CIAFOILYSA-N	642.402	4.399	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Br)c1O	409244307	AXFKPWXKZNUZHN-LFYBBSHMSA-N	501.280	4.013	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CC(C)C)C3=O)c(N3CCN(c4ccc(F)cc4)CC3)nc12	2246813	VEXFEKCGIZCELW-PXLXIMEGSA-N	537.686	4.326	10	40	KICB	
COc1ccc2c(c1)C=C[C@H]1N2[C@@H](C(C)=O)[C@H](C(=O)c2cc(OC)c(OC)c(OC)c2)[C@]12C(=O)Nc1ccccc12	103533136	MHZHCDFGVJPVLG-YSGXDJDMSA-N	554.599	4.283	10	40	KICB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1C	409258347	WNDNLNQVUHHCNC-XKZIYDEJSA-N	564.392	4.455	10	40	KICB	
O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccc(OCC(=O)N3CCOCC3)cc2)SC1=S	409368834	OXLWSTRDPJIXLI-YBFXNURJSA-N	567.476	4.169	10	40	KICB	
CCOc1ccc(C(=O)Oc2c(/C=C3/C(=O)NN(c4ccccc4)C3=O)cccc2[N+](=O)[O-])cc1OCC	409409713	QKPAWEYFLRKLDZ-HKWRFOASSA-N	517.494	4.073	10	40	KICB	
COc1ccc2c(c1)c(=O)oc1c(C)c(O[C@H](C)C(=O)N[C@@H](Cc3c[nH]c4ccc(O)cc34)C(=O)O)ccc12	2133547	XNBXGCIVUNNXBI-MYYSRTQBSA-N	530.533	4.030	10	40	KICB	biogenic
CC(=O)Nc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(c5ccco5)SC4=NC3=O)cc2)cc1	41076782	JOHDWSLFVXMXGG-KYTOZCRMSA-N	515.551	4.363	10	40	KICB	
COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4)c(OC)c3)SC2=S)cc1	100364125	BZASUIHTRFMCRO-HAHDFKILSA-N	549.630	4.268	10	40	KICB	
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	103846412	IAYPKTNMHBDNAR-GIJQJNRQSA-N	613.320	4.174	10	40	KICB	
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(C(=O)O)cc2)cc1	103858398	DGLCEFHIIRNOAX-FYJGNVAPSA-N	521.323	4.393	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	163723061	ATNQJBYFKLZUJN-PRLWALMFSA-N	629.651	4.473	10	40	KICB	
Cc1cccc(-n2c(C)cc(/C=C3\C(=O)N(C)c4ccc(S(=O)(=O)N5CCOCC5)cc43)c2C)c1C	8777659	RWDLRCLSSWTVFD-XYGWBWBKSA-N	505.640	4.249	10	40	KICB	
COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1OCC(=O)O	409030395	DBEYFRPAVGDBRX-YCRREMRBSA-N	535.219	4.423	10	40	KICB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)cc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409093590	ANADMTXMMSPVSL-ZIRCPPMYSA-N	574.747	4.111	10	40	KICB	
O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccccc1OCc1ccc(I)cc1	409372359	DGHYOXMODVZAOO-XDHOZWIPSA-N	528.302	4.125	10	40	KICB	
CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCN(c4ccc(OC)cc4)CC3)cc2c1	6135372	KDISVCTULXELBG-GDLZYMKVSA-N	535.652	4.046	10	40	KICB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1O	59426687	PIIFKOYRFHCGNS-WUXMJOGZSA-N	500.530	4.237	10	40	KICB	
O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccc(Cl)c(Cl)c1	408686183	MTQCELMHFWKNCW-OPYAIIAOSA-N	501.366	4.038	10	40	KICB	
CCCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1OC	408806666	GHSKLKULRRCCBA-MHWRWJLKSA-N	520.323	4.063	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCc1ccc(C(=O)O)cc1	408848786	SRLWLUVQIRLGJM-DJKKODMXSA-N	656.385	4.362	10	40	KICB	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCC)C2=O)c1	408858966	RSYIXNHDRMLXFF-SFQUDFHCSA-N	503.349	4.312	10	40	KICB	
COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1	408873885	WRCNGXHXVJSZEF-IWIPYMOSSA-N	502.523	4.179	10	40	KICB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cc(Br)c(OCC(=O)O)c(Br)c2)C1=O	409068435	RLEQHLGYJDDZFX-VZUCSPMQSA-N	572.593	4.303	10	40	KICB	
CN1C(=O)C(=Cc2ccc(Sc3n[nH]c(-c4ccc(Cl)cc4Cl)n3)c([N+](=O)[O-])c2)C(=O)N(C)C1=O	409194667	QBZCUJOAJDJWLW-UHFFFAOYSA-N	533.353	4.272	10	40	KICB	
CCOC(=O)COc1c(Br)cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc1OC	409334279	WPSJGGSCJJZIBA-DHDCSXOGSA-N	557.469	4.007	10	40	KICB	
COc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)ccc1OCc1ccccc1C	9456370	SZKMWGJTBGFSSG-CCDSKFFISA-N	517.611	4.214	10	40	KICB	
CCCn1c(=O)/c(=C2/C=Cc3ccccc3N2CC)s/c1=C1\SC(=S)N(c2ccccc2)C1=O	100181134	MMOPJPXCBYWUAZ-MCDNAADFSA-N	505.690	4.154	10	40	KICB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C	223190772	JKJDUPOIXFAPIB-SXOMAYOGSA-N	533.698	4.191	10	40	KICB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1	408773634	SIJNCWYSZPSHGF-LFVJCYFKSA-N	504.974	4.251	10	40	KICB	
CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)cc1	2651702	VXJDGWYIZMPVQG-NTEUORMPSA-N	552.649	4.335	10	40	KICB	
CC[C@H](C)c1ccc(OCCOc2c(Br)cc(C=C3C(=O)NC(=O)NC3=O)cc2OC)cc1	8843088	OIYQRLDPAOQGGV-AWEZNQCLSA-N	517.376	4.178	10	40	KICB	
O=C1[C@H]2[C@@H](c3ccccc3O)N[C@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@@H]2C(=O)N1c1ccc(Cl)cc1	102780383	RGTNXIYIQXCACV-PVIBPIFHSA-N	515.953	4.043	10	40	KICB	
COc1ccc2c(c1)C=C[C@H]1N2[C@@H](C(C)=O)[C@@H](C(=O)c2cc(OC)c(OC)c(OC)c2)[C@]12C(=O)Nc1ccccc12	103533150	MHZHCDFGVJPVLG-QODLHPCFSA-N	554.599	4.283	10	40	KICB	
COc1cc(C(=O)Oc2ccc(Br)cc2/C=C2/C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc(OC)c1OC	408533789	KSIBVRIFRNNSSW-YVYOCHEXSA-N	599.434	4.345	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCC)cc3Br)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	408725391	HTSYQDHMLIBRRV-ZDGAQAAHSA-N	600.535	4.034	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc(C)c(C)c1	408802813	HRVMDAMJGUWXIQ-WSDLNYQXSA-N	501.495	4.466	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C	409252662	DAZGKGCINFNBGH-KGENOOAVSA-N	517.513	4.217	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1	409256485	LONDPAWHUIJZHG-UNOMPAQXSA-N	613.433	4.149	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCC(=O)Nc3ccccc3OC)C2=O)cc1	409371572	XFCZVQRJCWHCQP-RCCKNPSSSA-N	549.967	4.431	10	40	KICB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Br)c1OC(C)C	409399434	IPGSMXARHVFXEZ-ZROIWOOFSA-N	510.182	4.469	10	40	KICB	
CC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccc(O)c(O)c2)cc1	902649	XBMPYXDFVCLSJD-LJAQVGFWSA-N	541.608	4.269	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C(=O)O)cc4)c(Br)c3)C2=O)cc1	100345056	APGGYDNYNGYXGY-UDWIEESQSA-N	551.349	4.401	10	40	KICB	
O=C1[C@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@H](c1ccc(Br)cc1)OC21C(=O)c2ccccc2C1=O	100497477	OZGITDSQJXVSFG-NJYVYQBISA-N	547.317	4.052	10	40	KICB	
COc1cccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2OC)c1	100666626	MCJARKBDGUCSKU-DARNXTNDSA-N	520.489	4.343	10	40	KICB	
CN(Cc1ccccc1)c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O	100861851	FJALRRFPNDFTJK-UCQKPKSFSA-N	542.642	4.461	10	40	KICB	
CCOc1ccccc1N1C(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C1=O	101482527	SMCXJBKSVYHVDA-YTFSRNRJSA-N	501.922	4.434	10	40	KICB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C	223191238	VHIWCJXVWSGNTJ-KAYWLYCHSA-N	550.685	4.101	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(I)c1OC(C)C	408811043	KWAQZVXECFELIV-MDWZMJQESA-N	540.741	4.407	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc([N+](=O)[O-])c1O	408942235	YHSRNFHCXPQINC-VXLYETTFSA-N	523.885	4.208	10	40	KICB	
COc1cc(OC)c(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1Br	409238184	WBUOMFDBWMRHJA-AWNIVKPZSA-N	515.307	4.316	10	40	KICB	
CCCCOc1c(Br)cc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc1OC	96193387	AAUTYPPLIBKKRU-WQRHYEAKSA-N	522.421	4.090	10	40	KICB	
CCN(CC)c1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(Cc2cccs2)C(=O)Cn2nnc3ccccc32)cc1	100336555	SABBRXZRAHQZII-FUFSCUOVSA-N	560.724	4.404	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(N(C)C)cc1	105499699	QTCGPZYQKHBJFG-SJXDCSIJSA-N	628.707	4.360	10	40	KICB	
O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCOCC2)cc1	113624168	BKGUCWDUMYIDAP-UHFFFAOYSA-N	534.465	4.342	10	40	KICB	
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12	408541232	FIWUGQANQSQLRS-YBFXNURJSA-N	534.322	4.410	10	40	KICB	
COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1	408882420	NZQKKSFUYXBLGZ-QBXVKSGMSA-N	510.974	4.209	10	40	KICB	
O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Br)ccc1OS(=O)(=O)c1ccc(Cl)cc1	409073664	QYLPZODWWJPCPE-YBFXNURJSA-N	606.794	4.445	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)c(OCC(=O)Nc4cccc(C)c4C)c(OC)c3)C2=O)cc1	409255855	JCSDDBZEMLIKSP-MTJSOVHGSA-N	683.455	4.387	10	40	KICB	
Cc1cccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4Br)C(=O)[C@H]23)c1	18142536	AJNYTLBAQWGHPI-FDFHNCONSA-N	516.347	4.453	10	40	KICB	
Cc1ccc(NC(=O)COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1	408902263	GOCAIRLJYLQOJW-KGENOOAVSA-N	534.366	4.441	10	40	KICB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12	409108662	YEVZUUIPIJKNDX-HMXFMCBNSA-N	554.716	4.331	10	40	KICB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccc(OCC(=O)Nc3ccccc3F)cc2)C1=O	409385666	IYNHEKMIIULSSF-XDHOZWIPSA-N	507.905	4.471	10	40	KICB	
O=C(COc1c(I)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I)Nc1ccccc1	409400219	QOWWFHMTRAEYNA-WQRHYEAKSA-N	665.225	4.375	10	40	KICB	
COc1cc([C@@H](CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c2oc(C)cc(=O)c2O)ccc1O	604403943	FHTHPOSCQDDYRK-RPBOFIJWSA-N	549.668	4.299	10	40	KICB	biogenic
COc1ccc(N2CCOCC2)cc1C(=O)N1CCC2(CCCCc3ccccc3OCCCC(=O)NC2)CC1	643561921	KGUYOIGZEKIBLD-UHFFFAOYSA-N	549.712	4.456	10	40	KICB	
COc1ccc(CN2C(=O)/C(=C/c3c(N4C[C@H](C)O[C@H](C)C4)nc4ccc(C)cn4c3=O)SC2=S)cc1	2358322	JYXGYIAFLYDUJL-NBTTYLGYSA-N	536.679	4.027	10	40	KICB	
CCCOc1cc(N(CC)CC)ccc1/C=C1/C(=O)NN(c2ccc(I)cc2)C1=O	32109816	BALHLOQIHDBXSR-ZHZULCJRSA-N	519.383	4.388	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1	408729586	HCKMTLAGRFHKJV-RISWYLRJSA-N	558.616	4.033	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(I)cc4)c3C)C2=O)cc1	408740427	KLRFNUOEOVHCPB-BKUYFWCQSA-N	541.345	4.374	10	40	KICB	
Cc1cc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)c2C)ccc1I	408775584	IJFLWNNDIAFBSJ-VXLYETTFSA-N	569.355	4.402	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)c(Br)c1O	408789519	LXOITAKINJQMNG-IZZDOVSWSA-N	530.556	4.246	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@@H]1c1ccc(C)cc1	408834325	VVBBGKHXRSDRDM-QTTRZTASSA-N	555.656	4.212	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F	409380419	MSMPKMRNJCDKGM-BOPFTXTBSA-N	523.904	4.172	10	40	KICB	
Cc1ccc(C)c(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)c1	6195588	PRFKQPAVAMDBMU-RUZDIDTESA-N	548.713	4.344	10	40	KICB	
CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)C[C@H](Cc1ccc(N)cc1)N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C	72130142	NBILLEYSBXFQAU-VWLOTQADSA-N	621.816	4.151	10	40	KICB	in-vitro
CCOc1cc(/C=C2\C(=O)N(c3ccc(OC)cc3)C(=S)N=C2O)cc(I)c1O	97960883	VLVWPHRILRJZTF-ZSOIEALJSA-N	524.336	4.076	10	40	KICB	
O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1	408777229	XBEVZCXXVOAUMK-VXLYETTFSA-N	586.313	4.374	10	40	KICB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(CNC(=O)C(=O)Nc4ccc(C)c(C)c4)o3)C(C(=O)OC)=C2C)cc1	408869978	RKZDTTNHJMZJBC-WGOQTCKBSA-N	557.603	4.427	10	40	KICB	
COC(=O)COc1c(Cl)cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1OC	409046331	JYZVFCLWWSMHTP-ONNFQVAWSA-N	504.795	4.402	10	40	KICB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OS(=O)(=O)c2ccccc2)c(Cl)c1	409069978	ZACKMALTHFNHLA-GZTJUZNOSA-N	517.346	4.428	10	40	KICB	
Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2Cl)c(C)c1	409267359	VDPQUQYUULYDPI-NDENLUEZSA-N	519.941	4.346	10	40	KICB	
COc1cc(Cl)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)Nc1ccc(Cl)cc1	409403743	BDJNEGYYYUNADU-UDWIEESQSA-N	512.349	4.481	10	40	KICB	
CN1CCN(C(=O)C2CCN(Cc3ccc(F)cc3)CC2)CCOc2ccc(N3CCOCC3)cc2Cc2cccc(c2)C1=O	643568233	RQOPHQHBKYTRLW-UHFFFAOYSA-N	614.762	4.458	10	40	KICB	
COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(N3C(=O)c4ccccc4C3=O)C2=O)cc1	100374825	CTSOILWNQPKKQI-HYARGMPZSA-N	545.598	4.125	10	40	KICB	
Cc1ccc(OCCOc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)cc2)c(C)c1	101396622	BUXKTFZQYQSKNW-NKFJNAIASA-N	526.640	4.161	10	40	KICB	
COC(=O)c1ccc(C(=O)OC)c(/N=N/[C@H](C(C)=O)C(=O)Nc2ccc(NC(=O)[C@H](/N=N/c3cc(C(=O)OC)ccc3C(=O)OC)C(C)=O)cc2)c1	150345367	BZKXDIAAIOXKAH-MAWLPALHSA-N	716.660	4.193	10	40	KICB	
COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1	409016326	TVYOZVJRJSHVSC-OEAKJJBVSA-N	533.968	4.061	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4)c(Cl)c3)C2=O)cc1	409046656	KZXWYZLUOOWWHO-DEDYPNTBSA-N	505.914	4.033	10	40	KICB	
COC(=O)COc1ccc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1Br	409139902	GHBBCEOLHNRTJU-UFWORHAWSA-N	565.511	4.450	10	40	KICB	
COc1ccc(N2CCN(C(=O)c3cc4ccccc4c(Br)c3OC)CC2)c([N+](=O)[O-])c1	14277363	GZTHIVYGBDMZOC-UHFFFAOYSA-N	500.349	4.490	10	40	KICB	
CC[C@@H](C)c1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1	97964383	HKKNEDYUCFEMDC-CLBQIIJWSA-N	526.640	4.279	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)c(COc4ccc(NC(C)=O)cc4)c3)C2=O)cc1	100241274	JSNFVWDUZAZYEC-XYGWBWBKSA-N	529.549	4.298	10	40	KICB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OCc1cccc(C)c1	101396187	IWZUIRQCGBTKOD-RNDHPAASSA-N	526.640	4.230	10	40	KICB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c(OS(=O)(=O)c2ccc(C)cc2)c1	408891965	WMXGRCNINMDZBF-DEDYPNTBSA-N	540.981	4.400	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	408990750	LQXHNKZWFPWGPS-LMSRTUJASA-N	592.073	4.476	10	40	KICB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(OC)cc4)c(OC)c3)C2=O)cc1OC	409370248	NNNDPBGOGGXSHI-HAHDFKILSA-N	589.601	4.185	10	40	KICB	
COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(I)c1OCc1cccc2ccccc12	1269467	OLWXQTZLQZADRU-UHFFFAOYSA-N	556.356	4.466	10	40	KICB	
CC[C@@H](C)N1C(=O)/C(=C/c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC1=S	1451385	WVCLWBKXJFQYKH-RRMQHPPMSA-N	523.659	4.160	10	40	KICB	
COc1cccc(N2C(=O)N=C3Nc4c(cnn4C(C)(C)C)[C@@H](c4cc(OC)c(O)c(O)c4OC)[C@H]32)c1	66091703	ZPZAELBLQZMXRW-RTBURBONSA-N	507.547	4.040	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc([N+](=O)[O-])c3)C2=O)cc1	408804116	VZNJOABUGTZSPK-FYJGNVAPSA-N	535.896	4.280	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc(I)c1OCc1ccc(F)cc1	408936388	FVFAJWIPJRNWLI-VXLYETTFSA-N	616.339	4.383	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)cc3)c(=O)n2[C@@H]1c1cc(Br)ccc1OC	409059572	SEHPTISLFTUJHP-LWUPDDLQSA-N	582.520	4.170	10	40	KICB	
COc1ccc(N2CCN([C@H](c3cc4c(C)cc(C)cc4[nH]c3=O)c3nnnn3CCc3ccccc3)CC2)cc1	1382312	VDSZYEUFODSZQO-SSEXGKCCSA-N	549.679	4.294	10	40	KICB	
CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	100415001	PBDLFARXVVBXFR-VJBWXMMDSA-N	559.372	4.103	10	40	KICB	
CC(C)(C)c1ccc(OCCOc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)cc1	101393720	UQTRTTPDDDPOMF-WLDZVJDWSA-N	526.640	4.063	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408542104	HBHAWAURRWSQAP-BUVRLJJBSA-N	583.597	4.295	10	40	KICB	
O=C(O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1Br	408844693	DYAIYWYOUNFVJU-UXBLZVDNSA-N	530.183	4.051	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	408885747	AEFNBLZHKSUBOV-QGOAFFKASA-N	526.954	4.091	10	40	KICB	
O=C(COc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccccc1F	409378211	NOJFOWMKMJCWJD-WQRHYEAKSA-N	583.326	4.180	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1ccc(Br)cc1	2185162	NPYFYZYMBUDPHU-MGSPXPDISA-N	570.509	4.113	10	40	KICB	
O=C(NC1CCCC1)[C@H](c1ccc(N2CCOCC2)cc1)N(C(=O)c1ccco1)c1ccc2c(c1)OCO2	13025104	YKNWKMJVODIRPH-MHZLTWQESA-N	517.582	4.292	10	40	KICB	
CCN(CC)c1ccc(CNC(=O)c2ccc(CN(c3ccccc3F)S(=O)(=O)N(C)C)cc2)cc1	225857663	MJVUZZSLFVCIGA-UHFFFAOYSA-N	512.651	4.415	10	40	KICB	
COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1	409012730	RPQJPXLJJOZKSS-MRSJDWDVSA-N	506.580	4.192	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccccc1	409072317	RPPVHIFULIVPMR-DEDYPNTBSA-N	629.441	4.069	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1C	409271000	SNNYPEFBYDSBHK-ODLFYWEKSA-N	521.016	4.350	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1O	409339615	XCZKPEJEJXIJJL-AUWJEWJLSA-N	514.322	4.319	10	40	KICB	
Cc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C1\SC(=S)N([C@@H](C)C(=O)O)C1=O	618255033	NOXSOUVDHMVDQZ-VQIMKDEXSA-N	535.441	4.449	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@@H]1c1ccc(OCC)cc1	8438311	TYUFXLVMJAVCKW-FHQMNNMHSA-N	585.682	4.333	10	40	KICB	
CC1=NN(c2ccccc2)C(=O)/C1=c1/s/c(=C2\Sc3ccc(Cl)cc3N2C)c(=O)n1Cc1ccccc1	100529846	YQBYUOCVRPNEOQ-YFMKTMAWSA-N	545.089	4.493	10	40	KICB	
Cc1cccc(OCCCOc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2Cl)c1	101394851	QZQORGZMELSBKF-NWSLSDTJSA-N	533.031	4.118	10	40	KICB	
COc1ccc(CN2C(=O)[C@]3(SC2=S)[C@@H](c2cccnc2)CN(C)[C@@]32C(=O)N(C)c3ccc(Cl)cc32)cc1	106021651	ITCRFMWLNNZYHU-KKVCJECGSA-N	565.120	4.444	10	40	KICB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(Br)c(I)o3)C(=O)NC2=S)c1	408856730	LFTVRAWGWYFDSA-WUXMJOGZSA-N	531.169	4.095	10	40	KICB	
CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)c(OC)c(OC)c3)C2=O)cc1	408898315	KWXWFYACYMBNMX-BOPFTXTBSA-N	550.349	4.154	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccccc1Cl	408955406	UKODSKNIYRHXJF-VCHYOVAHSA-N	506.898	4.323	10	40	KICB	
Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1	100420419	SACMQGBZTLZCOD-MFOYZWKCSA-N	535.441	4.369	10	40	KICB	
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1O	100455556	QHBOZOKFGOGLEE-WUXMJOGZSA-N	544.981	4.346	10	40	KICB	
COc1ccc2c(c1)[C@@]1(C(=O)N2C)N(C)C[C@@H](c2cccs2)[C@@]12SC(=S)N(Cc1ccco1)C2=O	102898921	JSFJINBXYPDTFB-WDNCENIBSA-N	525.677	4.050	10	40	KICB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C	223191365	VHIWCJXVWSGNTJ-RRPNLBNLSA-N	550.685	4.101	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1	408736248	NSDOXJPXPYRXRD-ZGOFBEGVSA-N	533.694	4.474	10	40	KICB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)Nc4cccc(C)c4)C3=O)c2C)cc1	409095374	HHVSHWMZZFPMQF-BUVRLJJBSA-N	500.555	4.111	10	40	KICB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(O)c(Br)c3)C2=O)cc1OCC	409191026	YTUKNUMLRKONSV-MHWRWJLKSA-N	503.349	4.004	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)c(C)c4)c(Cl)c3)C2=O)cc1	409264715	RKFKSMBAJGACNK-XKZIYDEJSA-N	561.978	4.427	10	40	KICB	
COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1	409336498	OIHKBIRGEGNZDK-XHPQRKPJSA-N	502.611	4.430	10	40	KICB	
COc1ccc(C(=O)NN2C(=O)/C(=C\c3cc(I)cc(I)c3OC)SC2=S)cc1	409349816	WIKMGEMMWBEVGG-OVCLIPMQSA-N	652.273	4.459	10	40	KICB	
COc1ccc(N2CCN([C@H](c3coc4ccc(Cl)cc4c3=O)c3nnnn3C3CCCC3)CC2)cc1	19973718	QUYYJRYSZSBYGM-RUZDIDTESA-N	521.021	4.468	10	40	KICB	
CC(=O)Nc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2)cc1	41076267	SGAJUJUIXHEJRN-XYDJZCRXSA-N	517.489	4.284	10	40	KICB	
CCCCN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4F)CC3)nc3ccc(C)cn3c2=O)SC1=S	100871303	PIHNCBFOCBRYHK-JWGURIENSA-N	537.686	4.470	10	40	KICB	
O=C(C[C@@H](c1ccc(OCCc2ccc3c(c2)CCO3)cc1)c1c(O)n2ccccc2nc1=O)NCCc1ccc(O)c(O)c1	230460745	XHBVHUMXIWZXMW-MHZLTWQESA-N	607.663	4.249	10	40	KICB	
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)C(=O)NC2=S)c(OC)c1	409108338	WGDALTHXMNGLSS-MHWRWJLKSA-N	512.927	4.147	10	40	KICB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OC)c3OCc3ccc(C(=O)O)cc3)C2=O)cc1	409188264	YAKDJHSVPIFNII-PXLXIMEGSA-N	500.507	4.201	10	40	KICB	
CN(C)c1ccc(/C=C2\SC(N3CCN(C4=NC(=O)/C(=C/c5ccc(N(C)C)cc5)S4)CC3)=NC2=O)cc1	2935086	BWWSJUPWIOCNKX-BOYKQRMESA-N	546.722	4.077	10	40	KICB	
COc1ccc(N2CCN(C(=O)c3ccc4c(c3)C[C@@H](C)N4S(=O)(=O)c3ccc(C)cc3)CC2)cc1	10327103	BVCFBCBELCFSDK-OAQYLSRUSA-N	505.640	4.106	10	40	KICB	
CN(C)c1ccc([C@H](c2nnnn2Cc2ccc(F)cc2)N2CCN(c3nc4ccccc4s3)CC2)cc1	13496351	ODJZAFKLRXVZBM-AREMUKBSSA-N	528.661	4.448	10	40	KICB	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1	97947343	CXPWGGOHRDIJDE-RRAHZORUSA-N	553.644	4.366	10	40	KICB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1	111469750	RTRHHHYINXEAAU-UXAZKMGBSA-N	527.621	4.141	10	40	KICB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccc(N2CCOCC2)cc1	223296325	NGOHGVRDTGWHLB-HNPKZYAISA-N	517.699	4.477	10	40	KICB	
CC(=O)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O	408530873	FYMSIBCWDXQBQO-NVNXTCNLSA-N	522.149	4.112	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	408891985	WUDFLTIMBVZAAA-DEDYPNTBSA-N	571.405	4.200	10	40	KICB	
CCc1cccc2c(/C=C3\SC(=S)N(Cc4ccc(OC)cc4)C3=O)cn(CC(=O)N3CCOCC3)c12	409132843	LGGAZUSKGRVSEF-IWIPYMOSSA-N	535.691	4.473	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCC(=O)Nc3ccc(F)cc3)C2=O)cc1	409365981	WVIDPROQSPDWKV-FYJGNVAPSA-N	523.904	4.172	10	40	KICB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc2c(c1)OCO2	637452	ORFLCKBQYNPZCU-DJKKODMXSA-N	524.396	4.417	10	40	KICB	
Cc1ccc(CN2C(=O)/C(=C/c3nc(S(=O)(=O)c4ccc(C)cc4)c(N4CCOCC4)o3)SC2=S)cc1	1874890	HTCBUMKFXOLYQQ-QNGOZBTKSA-N	555.703	4.362	10	40	KICB	
Cc1ccc(CN2C(=O)[C@H]3[C@@H](c4ccc(I)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	97944194	RKMGYIRQIVYSRR-XPWALMASSA-N	577.374	4.290	10	40	KICB	
COc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]23)cc1OC	100562394	XELDITCAKQZYMP-VABKMULXSA-N	562.372	4.161	10	40	KICB	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OCc1ccccc1F	101393945	MYIQCPPKXDIJOT-PSKWXLMSSA-N	536.994	4.078	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)c(=O)n2[C@H]1c1ccc(C)cc1	408825469	IKIJONWDXYIUOJ-FQKMCRJQSA-N	556.644	4.422	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408894988	LKDIQHQWNWIQQT-XDHOZWIPSA-N	632.432	4.351	10	40	KICB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(OCC(=O)Nc2cccc(C)c2)c1	409043521	RLGHFGGSCZZKEL-ZVHZXABRSA-N	513.550	4.304	10	40	KICB	
O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cccc(OS(=O)(=O)c2ccccc2)c1	409070915	ZQWVKIFBQVRLDP-PDGQHHTCSA-N	517.346	4.428	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl	409255950	MPKDNKQRMRIWEK-UYRXBGFRSA-N	564.938	4.331	10	40	KICB	
COc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2Br)cc1	409369654	DNMHHEDONPZOOL-NDENLUEZSA-N	595.362	4.050	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(I)c1OCc1ccc(C)cc1	409373796	WDAFGLWYSNEDEC-VXLYETTFSA-N	572.355	4.442	10	40	KICB	
COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccc(O)c(O)c2)cc1	902612	FRCFLDRVESLZRB-NDEPHWFRSA-N	529.597	4.075	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	163722824	FQDIYUWVDANUMW-PRLWALMFSA-N	629.651	4.473	10	40	KICB	
COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN(C)C)c2C)c([N+](=O)[O-])c1	223231941	MBDZCFLJOCDZLL-JWQCQUIFSA-N	508.648	4.330	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	408528089	ASDINNMGAMSOQJ-DTXJCZLISA-N	527.489	4.197	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1ccc(C(=O)O)cc1	408692291	JEMBMJUSVMDGHU-VCHYOVAHSA-N	543.370	4.139	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	408694500	ITHVFFYXHCFSBO-YBFXNURJSA-N	511.962	4.079	10	40	KICB	
CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C3/C(=O)N([C@H](C)c4ccccc4)C(C)=C3C(=O)OC)o2)cc1	409017846	VYZZNNJLEIKYEL-VKELSTCCSA-N	585.613	4.145	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br	409070927	NRUVHIDHXYSQSH-JAYSWQADSA-N	612.546	4.178	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409364274	OPGVZRQUUSVATI-ODLFYWEKSA-N	523.904	4.172	10	40	KICB	
CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(O)c(Br)c3Br)C(=O)NC2=S)cc1	409383255	VJRUZYGWEIEGOF-MDWZMJQESA-N	540.233	4.320	10	40	KICB	
O=C(NC1CCCCC1)[C@H](c1ccc(O)c(O)c1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21	902687	WFKHOFOZQMGJNJ-NDEPHWFRSA-N	513.598	4.062	10	40	KICB	
CC(C)c1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)cc1	6077025	CTZOYXBFFNEMIN-VWLOTQADSA-N	548.713	4.461	10	40	KICB	
Cn1c(=O)c2c(-c3ccc(Cl)cc3Cl)n3c(c2n(C)c1=O)[C@H](c1cccc(O)c1O)OCC3(C)C	9048986	ZQRVEGCRJAZNDC-QFIPXVFZSA-N	516.381	4.278	10	40	KICB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCC(C(N)=O)CC3)=NC2=O)cc1	27019573	OFHOEXNCUBRLSV-KQWNVCNZSA-N	501.612	4.106	10	40	KICB	
CCOc1cc(/C=C2/C(=O)N(c3cccc(C(=O)O)c3)N=C2C)ccc1OCC(=O)NC1CCCCC1	36612535	HUWMSYRSLGTITD-OEAKJJBVSA-N	505.571	4.417	10	40	KICB	
COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)C2=O)cc1	101005989	DWVIQUHFOMKQLQ-AQTBWJFISA-N	543.692	4.133	10	40	KICB	
CN(C[C@H](O)Cn1c2ccccc2c2ccccc21)S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O	102416281	FLGJFXRZFFPBOA-IBGZPJMESA-N	524.598	4.252	10	40	KICB	
CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/N2N=C(c3ccc(Cl)cc3)C[C@H]2C(=O)O)SC1=S	256055519	JPXOUMQCVMLMEX-MHTIRGBASA-N	544.054	4.079	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	408531619	HECAAFJRBQMDQT-VLAPBQICSA-N	527.489	4.197	10	40	KICB	
CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(O)c1	408770224	UWJBSWKRBYWXBC-HDFSHUSISA-N	568.699	4.434	10	40	KICB	
O=C1NC(=O)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccccc1OCc1ccc(Br)cc1	408944321	UISIFHCKEIBEFB-DEDYPNTBSA-N	521.323	4.393	10	40	KICB	
COc1ccc(N2CCN(c3nc4ccccn4c(=O)c3/C=C3\SC(=S)N(Cc4ccccc4)C3=O)CC2)cc1	97946684	OJRSNVRGZGLDAS-PLRJNAJWSA-N	569.712	4.431	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	163723169	ATNQJBYFKLZUJN-FUFNRSNVSA-N	629.651	4.473	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OS(=O)(=O)c4ccccc4)c(OC)c3)C2=O)cc1	409066514	LJZLDKIPVCJFLQ-DEDYPNTBSA-N	556.980	4.181	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc(I)c1OC	409232514	QMLCVCJOMOIVAY-OQLLNIDSSA-N	536.391	4.147	10	40	KICB	
COC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Br	409333774	VSXAEWWAYJEPJA-SXGWCWSVSA-N	509.359	4.315	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc(OC)c1OC	1243432	VVTYNMFSWVZWEJ-YBEGLDIGSA-N	509.403	4.021	10	40	KICB	
CC1(C)[C@@H]([N+](=O)[O-])[C@H](c2cc(Br)ccc2O)N[C@H](c2cc(Br)ccc2O)[C@@H]1[N+](=O)[O-]	2182997	LGUYRGFXQNABSG-MHORFTMASA-N	545.184	4.325	10	40	KICB	
Cc1cc(C(=O)COC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(C)n1-c1cccc(C(F)(F)F)c1	3341233	WXUBUUDEKBSHDX-UHFFFAOYSA-N	529.427	4.043	10	40	KICB	
CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Br)c1OCCOc1ccccc1C	9553728	HUZMZSQWPBDJFS-UHFFFAOYSA-N	517.376	4.048	10	40	KICB	
COC(=O)C[C@@H](c1cccc(OC(F)F)c1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	97971890	CXUMQSSTQASROS-AWEZNQCLSA-N	530.432	4.284	10	40	KICB	biogenic
CCOc1c(I)cc(/C=C2/C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1OC	100222166	QPNRQSQHSHHCSX-AUWJEWJLSA-N	587.233	4.292	10	40	KICB	
CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN(C)CCO)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C	263605846	QFLPZXIHCBNNDG-VFBFXMKMSA-N	784.900	4.178	10	40	KICB	
COc1ccc(N2CCN(C(=O)CN(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)S(C)(=O)=O)CC2)cc1	408545778	ACWSFRRFXHXRNG-UHFFFAOYSA-N	537.726	4.278	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(I)c1OCC	408798316	HQNZLWXXZZHTBE-MHWRWJLKSA-N	520.323	4.063	10	40	KICB	
COc1ccc(N2CCN(C(=O)CN(c3ccc(C(C)C)cc3)S(=O)(=O)c3ccccc3)CC2)cc1	408925076	IMEYUJKLUWIMMQ-UHFFFAOYSA-N	507.656	4.363	10	40	KICB	
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3cc(C)n(-c4ccc(NC(C)=O)cc4)c3C)c2=O)=N1	409038673	QBAZGWXJOHTNKY-ASZNLBCTSA-N	554.672	4.164	10	40	KICB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)C2=O)cc1OC	409225101	OWDZXAZSVAOWQJ-HZHRSRAPSA-N	573.602	4.485	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCc1ccc(C(=O)O)o1	409387119	ZRKZOXJCZZLCFO-WOJGMQOQSA-N	506.536	4.014	10	40	KICB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc3c(c2)OCO3)c(I)c1	409398471	BBURESVVJKCYNE-ZDLGFXPLSA-N	540.313	4.060	10	40	KICB	
O=C(CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)Nc1cc([N+](=O)[O-])ccc1O	36083047	QAKHQEFGXNJFIB-CXUHLZMHSA-N	508.375	4.293	10	40	KICB	
CN1C(=O)[C@@]2(c3cc(Cl)ccc31)N(C)C[C@@H](c1cccnc1)[C@@]21SC(=S)N(Cc2ccco2)C1=O	101392208	LEIKQNQFTZYFCU-OWAUWMPXSA-N	525.055	4.028	10	40	KICB	
CCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1CN(c1ccc(F)cc1)S(C)(=O)=O	224805853	UROZOURUQQIQRY-UHFFFAOYSA-N	541.645	4.162	10	40	KICB	
COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	409180110	VUFWPSSKOUPKDD-XDHOZWIPSA-N	508.537	4.337	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(F)c1	409405862	IKNGZLJBJNOTCG-JAIQZWGSSA-N	509.921	4.357	10	40	KICB	
Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)c(C)c1	6195252	JJVSRCHVJTVUHR-RUZDIDTESA-N	548.713	4.344	10	40	KICB	
Cc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)cc1	9216491	VZAMZBBNHCTAFB-NZAISQPBSA-N	517.611	4.084	10	40	KICB	
O=C(NC1CCCC1)[C@H](c1ccc(N2CCOCC2)cc1)N(C(=O)c1ccco1)c1ccc2c(c1)OCCO2	13025109	ZLFNEGJPZAIFDV-NDEPHWFRSA-N	531.609	4.334	10	40	KICB	
COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCc1ccccc1[N+](=O)[O-]	41078350	QHLJWJCTDFKFEX-UOMFMSKPSA-N	513.304	4.395	10	40	KICB	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)C2=O)c1	103842435	OOGAHJNVMVCGHC-HZHRSRAPSA-N	531.565	4.345	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCC	103852695	RJYBEZYZMIWXSP-UKTHLTGXSA-N	540.354	4.059	10	40	KICB	
CC(=O)Nc1ccc(/N=N\c2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(OC(=O)c4ccc(N)cc4)c3c2O)cc1	104367131	FXVSFWGJQNDQDU-ZIADKAODSA-N	600.587	4.214	10	40	KICB	
O=C(O)CCN1C(=O)/C(=C/c2ccccc2OCCOc2ccccc2/C=C2\SC(=S)N(CCC(=O)O)C2=O)SC1=S	150445494	BVMTUTHCMHYCMV-BMJUYKDLSA-N	644.774	4.496	10	40	KICB	
CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(OCc2ccccc2)c1	214661888	RIKBZUOOHZMYNP-LFVJCYFKSA-N	509.628	4.007	10	40	KICB	
O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12	408541178	BUSVBAFOKCIBAX-VXLYETTFSA-N	505.939	4.466	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OC	408740865	ISTSLYGNSWYUFY-QPEQYQDCSA-N	540.233	4.369	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC)c(OCC)c3)C2=O)cc1	408810009	OSOPNLZSBNNGMQ-GZTJUZNOSA-N	531.359	4.090	10	40	KICB	
O=C1NC(=O)C(=Cc2cc(Br)cc(Br)c2OCc2ccc(Br)cc2)C(=O)N1	409041205	JCMGHFAYQBDEDF-UHFFFAOYSA-N	559.008	4.303	10	40	KICB	
O=C(Cn1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c2cc(Br)ccc21)NC[C@H]1CCCO1	409124493	KQNROMFQXHQQRR-OAPSVGLTSA-N	564.527	4.079	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1	409263501	NAQJPPCGPQUIHW-NHDPSOOVSA-N	549.967	4.355	10	40	KICB	
COc1ccc(C(=O)NN2C(=O)/C(=C\c3cc(I)c(O)c(I)c3)SC2=S)cc1	409335157	YYVLCDNTSYZPKT-RIYZIHGNSA-N	638.246	4.156	10	40	KICB	
COc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1	409379595	YEZVYHOQWPWVBS-FYJGNVAPSA-N	523.904	4.172	10	40	KICB	
CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cccc(OCC(=O)Nc4ccc(C)c(C)c4)c3)C2=O)c1	409382725	QANVFXONNIJQBS-MFKUBSTISA-N	513.550	4.386	10	40	KICB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409404102	BYQYDVXHRWVJJC-ODLFYWEKSA-N	512.349	4.481	10	40	KICB	
CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c1	101060552	IDEBTTYCSLNENK-IDCRMVTHSA-N	525.677	4.326	10	40	KICB	
N=C1/C(=C/c2ccc(SCc3ccc(Cl)cc3)o2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12	103596545	ICMIQLUEXCQESY-KUYAPCGNSA-N	530.031	4.093	10	40	KICB	
O=C(/C=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)Nc1ccc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1	103932977	QCVCUWYOLJCTEQ-IROCBMIISA-N	567.646	4.445	10	40	KICB	
COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(OC)cc2[N+](=O)[O-])c1C	223727746	XABWLWUAEUUWMU-DQEYMECFSA-N	523.615	4.332	10	40	KICB	
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)c2=O)=N1	409047248	MABDRJBBRRXSHG-LMSRTUJASA-N	542.617	4.114	10	40	KICB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)ccc1OS(=O)(=O)c1ccccc1	409072287	RLGFPTVSXZOPEE-XDHOZWIPSA-N	517.346	4.428	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1F	409380506	NCIWCNGDSJSTJS-RGEXLXHISA-N	519.554	4.073	10	40	KICB	
CC(/C=C1\SC(=S)N(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O)=C\c1ccccc1	8820645	RNEBIYAUIQQBBI-CMMGMQPASA-N	504.637	4.271	10	40	KICB	
COc1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(C)c3)C2=O)cc1COc1ccc(NC(C)=O)cc1	13775400	PYLCZIIHPZAMJT-IWIPYMOSSA-N	515.591	4.372	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(N3CCC(C)CC3)nc12	100839729	NOMORLUDBSNWOH-XKZIYDEJSA-N	534.663	4.369	10	40	KICB	
COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(O)c(C(=O)O)c3)C2=O)cc1	101007232	DBGISEYELOQKOS-MOSHPQCFSA-N	528.608	4.277	10	40	KICB	
Oc1cc(O)c2c(c1)O[C@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2	150343271	BYSRPHRKESMCPO-JYNGVZLNSA-N	864.765	4.242	10	40	KICB	biogenic,in-man
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OC	408799278	HASLQQCFKOJUIO-MDWZMJQESA-N	540.741	4.327	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1	409373424	SCEBPFLCCYNYKH-GIJQJNRQSA-N	603.325	4.042	10	40	KICB	
CC(=O)c1cccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC(C)(C)C)c2ccc(N(C)C)cc2)c1	6074218	DVDQTYLPINRWLH-NDEPHWFRSA-N	526.641	4.389	10	40	KICB	
COc1ccc([C@@H](c2cc3c(cc2O)OCO3)N2CCN([C@H](c3ccc(OC)c(O)c3)c3cc4c(cc3O)OCO4)CC2)cc1O	22859561	QHCLJUXCDWUFBM-AQOUDTPCSA-N	630.650	4.480	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(I)c1OCC(=O)OC	408850447	NURQPDZOOQLGAY-KPKJPENVSA-N	635.263	4.380	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc(I)c1OCC	409024945	ZVABNKQMRMYMDC-OVCLIPMQSA-N	540.354	4.059	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1F	409387475	QTQNCQMHQSVBNP-BOPFTXTBSA-N	568.355	4.281	10	40	KICB	
COCC(=O)N1CCCN(C2CCOCC2)CCN(C(=O)c2cc(N3CCCCC3)ccc2OC)Cc2ccccc21	643558444	NIRNLDLPJWLDKO-UHFFFAOYSA-N	578.754	4.192	10	40	KICB	
O=C1N[C@H](c2cc(Br)cc(Br)c2O)[C@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1	715273	ROUBDRPGGXHHPB-PBFPGSCMSA-N	538.114	4.021	10	40	KICB	
CN(C)c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1Br	852839	YRPBJUJIYQKHIT-RIYZIHGNSA-N	509.223	4.109	10	40	KICB	
CN(C)c1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)Cn2nnc(-c3ccccc3F)n2)cc1	887488	IVNDREVMORSSHY-MUUNZHRXSA-N	559.646	4.357	10	40	KICB	
COc1c(/C=C2/C(=O)N=C(O)N(c3ccc(I)cc3)C2=O)c(CCN(C)C(=O)c2ccccc2)cc2c1OCO2	97967054	VJWAXWHIWJUVMB-JCMHNJIXSA-N	653.429	4.214	10	40	KICB	
COc1cc(OC)c(CN2C(=O)c3ccccc3C2=O)cc1/C=C1\C(=O)N=C(O)N(c2ccc(Br)cc2)C1=O	97967267	UYSNGBZFJCENHN-CIAFOILYSA-N	590.386	4.133	10	40	KICB	
Cc1cc(NC(=O)CSCC(=O)N(c2ccccc2)[C@H](C(=O)N[C@H]2C=CCCC2)c2ccc(O)c(O)c2)no1	100326747	VCVGILBSZUNMAA-DCFHFQCYSA-N	550.637	4.065	10	40	KICB	
Cc1cc(C)cc(N2C(=O)[C@@H]3[C@H](c4ccccc4O)N[C@@](Cc4c[nH]c5ccccc45)(C(=O)O)[C@@H]3C2=O)c1	101339319	IIVZPOSHWDJSRJ-VWDBNSKXSA-N	509.562	4.007	10	40	KICB	
CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C3/C(=O)N([C@@H](C)c4ccccc4)C(C)=C3C(=O)OC)o2)cc1	409017836	VYZZNNJLEIKYEL-OJWZXOLNSA-N	585.613	4.145	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@H]1c1cccc(OC)c1	409022771	SHSPZMGEKAFSDZ-NNAGEYCMSA-N	570.715	4.280	10	40	KICB	
Cc1cccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2Cl)c1	409047684	PTVOLXOFUOVNAE-UDWIEESQSA-N	505.914	4.038	10	40	KICB	
CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)c(OS(=O)(=O)c3ccccc3)c(Br)c2)S1	409089772	KDZSCALVLZZLDP-OQLLNIDSSA-N	560.245	4.086	10	40	KICB	
COc1cccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c1OCc1ccc(C(=O)O)cc1	409187147	MSTPZCJUOVXJOR-KGENOOAVSA-N	516.575	4.421	10	40	KICB	
Cc1cccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2Cl)c1C	409261447	BYMJXSKIRQEPKA-NDENLUEZSA-N	519.941	4.346	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCC(=O)Nc4ccccc4C)c(OC)c3)C2=O)cc1	409273650	ZSWPUPRQVHPONN-UDWIEESQSA-N	641.418	4.301	10	40	KICB	
CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC1CCCCC1)c1ccc(N(C)C)cc1	6134413	WQRZADFOXPFZKD-VWLOTQADSA-N	564.712	4.126	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	8443551	LLGMWSAJYZKZLM-DJTCXORXSA-N	628.545	4.144	10	40	KICB	
COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OCc1ccccc1Cl	97964455	DXMLJVJICWUNJQ-CPIBVZOHSA-N	539.422	4.202	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccc(F)cc1	2159136	KUHFCAWQBHBJBK-LMSRTUJASA-N	560.607	4.253	10	40	KICB	
CC(C)N1CCN(c2ccc(OC[C@@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1	3873935	BLSQLHNBWJLIBQ-BVAGGSTKSA-N	532.472	4.463	10	40	KICB	biogenic,in-vitro
COc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1OC	8425781	WCZCDXNIWJETFO-VABKMULXSA-N	562.372	4.161	10	40	KICB	
NS(=O)(=O)c1ccc(/N=N/C2C(=O)N(c3ccc(Cl)cc3)C(=S)N(c3ccc(Cl)cc3)C2=O)cc1	104240936	JYRFAMFLCHIYMX-CYYJNZCTSA-N	548.433	4.458	10	40	KICB	
Cc1c(CC(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(=O)oc2c(O)c(O)ccc12	13607329	SPXVJHBDFJJZPY-UHFFFAOYSA-N	520.532	4.267	10	40	KICB	
Cc1nn(-c2ccccc2)c(C)c1N/C=C1\C(=O)NC(=O)N(c2ccc(Br)c(C)c2C)C1=O	408536506	WPYYFRMDLWBMSJ-LDADJPATSA-N	508.376	4.447	10	40	KICB	
CCCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1OCC	408812685	MGRLVPAWWQDVKG-GZTJUZNOSA-N	550.349	4.154	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)c(=O)n2[C@H]1c1ccc(C)cc1	408834328	VWELHAZSGUBMMO-RGFRMHDHSA-N	569.683	4.301	10	40	KICB	
COc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O	409388161	UPBYBYJFZYBBHB-CPNJWEJPSA-N	523.904	4.172	10	40	KICB	
COc1cc(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)Nc1cccc(F)c1	409404088	BWGDABXAWFFZAQ-JAIQZWGSSA-N	540.345	4.076	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1	100189792	YWDHQGBKWRWAML-HDFSHUSISA-N	593.746	4.451	10	40	KICB	
Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\c2cc(Br)c(I)o2)C1=O	408853449	SNWUHSDOGVBKAZ-BJMVGYQFSA-N	579.970	4.384	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)C2=O)cc1	409225372	POVJWLHKXQLDRI-CIAFOILYSA-N	594.418	4.459	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F	409267323	SWTMDNXKUMYHKI-YVLHZVERSA-N	524.979	4.181	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1ccc(F)cc1	1759093	MTDKLOZOPGSNNU-RISWYLRJSA-N	533.600	4.484	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc(Br)c1O	100195219	RMNJWTNBCFTKHF-QPEQYQDCSA-N	526.206	4.147	10	40	KICB	
CCOC(=O)c1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]32)cc1	102687835	RFWAFXINYQOYHJ-ZRBLBEILSA-N	529.932	4.212	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1OC	150389330	FARGUFZFRYLFSU-SAGCDJCOSA-N	642.778	4.060	10	40	KICB	
COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C	223743442	PCGMXCXRCNMJHG-JWQCQUIFSA-N	506.628	4.201	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	408739462	CAONRERABOOXSR-HYARGMPZSA-N	517.494	4.248	10	40	KICB	
CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br	408783208	MEJMOAHOGPTYOI-VGOFMYFVSA-N	542.169	4.364	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408808726	FUTIQBGNSBEKMP-VXLYETTFSA-N	523.885	4.208	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	2063090	UEMPXDCVOLNCIE-YNMQQHPQSA-N	558.679	4.411	10	40	KICB	
CCOC(=O)COc1ccc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc1Br	59136027	NBQYWSWRPMKAPA-UKTHLTGXSA-N	507.337	4.202	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccccc1OC	59433135	GEKAYBNQQRMCAN-CSJROMOCSA-N	527.646	4.214	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(NCc3ccco3)nc12	100763752	GBRRMZMVDLZJKW-NHDPSOOVSA-N	532.603	4.338	10	40	KICB	
COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2C)c1	103858299	DLUCSZRAHREJIV-FYJGNVAPSA-N	522.355	4.310	10	40	KICB	
COc1ccc(N2CCN(C(=O)CN(c3ccc(OC)c(Cl)c3)S(=O)(=O)c3cc(C)ccc3OC)CC2)cc1	408593161	MVLOKADDIJMXGB-UHFFFAOYSA-N	574.099	4.218	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OC	409386837	NOQKCUHLJZHEQS-MHWRWJLKSA-N	536.391	4.092	10	40	KICB	
O=C(COc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1Br)N1CCOCC1	409386869	OBTNKJBVBNKWBJ-UYRXBGFRSA-N	519.442	4.093	10	40	KICB	
O=C(COc1ccc(/C=C2/C(=O)N(c3cccc(C(=O)O)c3)C(=S)N=C2O)cc1)Nc1ccc(F)cc1	97960825	BJIPUJWKQKJTBI-CIAFOILYSA-N	519.510	4.213	10	40	KICB	
COc1cccc(OCCOc2c(Br)cc(/C=C3\C(=N)N4OC(C)=CC4=NC3=O)cc2OC)c1	97964616	ACFILTAPCOAYBW-AKHKXASESA-N	528.359	4.374	10	40	KICB	
O=C1[C@@H]2[C@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(F)cc1	100414060	OICVASDHEJUTFN-ACRUOGEOSA-N	520.310	4.283	10	40	KICB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(OCC)cc4)C3=O)c2C)cc1	408740247	JORMBLLVCPCXHM-LFVJCYFKSA-N	501.539	4.336	10	40	KICB	
COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1	408782430	GYTOUHWWLTYALB-USHMODERSA-N	540.616	4.306	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCCOc1cccc(OC)c1	408972834	VZSZLKYSJKBNJC-JLPGSUDCSA-N	532.549	4.227	10	40	KICB	
O=C(COc1ccc(Br)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O)Nc1ccc(F)cc1	409399486	JCJZNSARVDNSEN-MOSHPQCFSA-N	510.319	4.067	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@H]1c1ccc(OCC)cc1	8438312	TYUFXLVMJAVCKW-IPAKXIGBSA-N	585.682	4.333	10	40	KICB	
CCOC(=O)c1c(NC(=O)COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)sc2c1CCCC2	12622024	ORDAKNSEDCLKJN-UHFFFAOYSA-N	517.559	4.375	10	40	KICB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)c(COc4ccc(NC(C)=O)cc4)c3)C2=O)cc1	13775040	GEQIABABJRUIKF-XYGWBWBKSA-N	513.550	4.461	10	40	KICB	
COc1ccc(CN2C(=O)[C@@]3(SC2=S)[C@@H](c2cccnc2)CN(C)[C@]32C(=O)N(C)c3ccc(Cl)cc32)cc1	97957111	ITCRFMWLNNZYHU-OFEZKSIWSA-N	565.120	4.444	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	408954739	SJIZTZYOEJNKED-DJKKODMXSA-N	608.401	4.179	10	40	KICB	
COc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccc(F)cc4)c4ccccc34)C(=O)NC2=S)cc1	409016094	UNRDAMLEQNNHSY-OEAKJJBVSA-N	528.565	4.259	10	40	KICB	
CN1/C(=c2/s/c(=C3/C(=O)N(c4ccccc4)N=C3Nc3ccccc3)n(C)c2=O)Sc2ccc(Cl)cc21	4109389	DYCQZPNICBMRFM-MQQISXSPSA-N	546.077	4.031	10	40	KICB	
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)C(=O)NC2=S)c(OC)c1	9763121	GKZVYUJPEPDXTB-MHWRWJLKSA-N	512.927	4.147	10	40	KICB	
CCOC(=O)c1ccc(N2N=C(C)/C(=C\c3ccccc3OCC(=O)Nc3ccccc3C(=O)OC)C2=O)cc1	101574628	HOCAQEPYISENQM-JJIBRWJFSA-N	541.560	4.474	10	40	KICB	
CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc1OC	408778552	HCEVBKCWIVPZKW-WUXMJOGZSA-N	586.766	4.036	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408890539	VJVNFQKDZIIOLN-VXLYETTFSA-N	616.402	4.108	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(I)c1OCC	409093247	YJPREVLRKUHYQO-ATTDUZETSA-N	519.426	4.469	10	40	KICB	
COc1ccc(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC	10113546	NRHWBMQILWMUCV-UHFFFAOYSA-N	523.655	4.124	10	40	KICB	
Cc1ccc(/C=C2\SC(=S)N(CCC(=O)NCCNC(=O)CCN3C(=O)/C(=C/c4ccc(C)cc4)SC3=S)C2=O)cc1	150442969	VQAHMFOOZUSGHB-BOYKQRMESA-N	638.862	4.419	10	40	KICB	
CCC(=O)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C1=O	408527815	ACNFHCBEOVJOJT-XWDCFYOYSA-N	540.208	4.177	10	40	KICB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	408845902	NLAWYEPIELCOIU-GIJQJNRQSA-N	542.331	4.464	10	40	KICB	
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccccc1OCc1ccc(Br)cc1	408955135	SQKWYYCOIQGNDF-YBFXNURJSA-N	521.323	4.423	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	408995294	LUJSMDVSSYKKON-PQRKSKNISA-N	598.725	4.058	10	40	KICB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2c(s/c(=C/c3ccc(N4CCCC4)cc3)c2=O)=N1	409059510	RSKKJNUSZFEUGG-NIJSQZSCSA-N	520.658	4.474	10	40	KICB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(C)n1-c1ccc(C(=O)O)cc1	409204651	CJVIRJVAIDBJMX-KOEQRZSOSA-N	544.633	4.177	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C	409257756	SCTJJYGDKTZGFM-BKUYFWCQSA-N	514.625	4.396	10	40	KICB	
COc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Br	409375753	OWVUWLGZPTXVSW-AQTBWJFISA-N	566.433	4.307	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccc(C(=O)O)cc1	100251991	WYDLRNFSKJPWAR-QGMBQPNBSA-N	595.358	4.130	10	40	KICB	
COc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)ccc1OCc1ccccc1F	103577607	UHURQSWYEXMMOO-ICQDDBCESA-N	535.601	4.435	10	40	KICB	
CC1=NN(c2ccc(I)cc2)C(=O)/C1=C/c1c(C)[nH]n(-c2ccc(I)cc2)c1=O	103825556	LYKNCHQAYGBSFG-YBFXNURJSA-N	610.193	4.489	10	40	KICB	
O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)c(O)c(Br)c1	408723614	XYFBQDMMMZEYPV-NYYWCZLTSA-N	516.598	4.402	10	40	KICB	
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(N5CCCC5)c(C)c4)c(=O)n32)cc1	409071958	QQPZHLSPRIXYHN-CSJROMOCSA-N	531.678	4.104	10	40	KICB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409080537	LOOZRNFWOURZDN-UHFFFAOYSA-N	515.853	4.372	10	40	KICB	
COc1cc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1	409093930	BSYUIGCCFCBVBJ-LICLKQGHSA-N	507.973	4.302	10	40	KICB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)cc3)c(=O)n2[C@H]1c1ccccc1OC	409101095	PQNXAEVEJQSBOJ-WUBJHQBQSA-N	544.721	4.103	10	40	KICB	
O=C(COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Cl)Nc1ccccc1	409272407	QAGJWBWWYIYDFN-ZDLGFXPLSA-N	526.332	4.383	10	40	KICB	
COc1cc([C@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)cc(OC)c1OC(C)=O	96114653	JGMRDGJDRDLWCL-MRXNPFEDSA-N	518.474	4.255	10	40	KICB	biogenic
CCOc1cc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)ccc1OC	96221249	BQDKHCWSLSLVJH-AWEZNQCLSA-N	506.463	4.131	10	40	KICB	biogenic
COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCc1cccc2ccccc12	97964456	LLIHHKJOCAPARV-ZKZDLDBDSA-N	520.592	4.049	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4Cl)c(OC)c3)C2=O)cc1	408890237	QEDIWSJERZPCOF-DEDYPNTBSA-N	520.925	4.381	10	40	KICB	
COC(=O)c1ccc(C)c(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)o2)c1	408902096	FYCLIVBJBUIZKO-XDHOZWIPSA-N	509.312	4.471	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408937392	JBCGXRPPOXCHDF-VXLYETTFSA-N	644.334	4.362	10	40	KICB	
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)c2=O)=N1	409047250	MABDRJBBRRXSHG-RISWYLRJSA-N	542.617	4.114	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4OC)c(OCC)c3)C2=O)cc1	409376355	ACEZKLXVPVDJQL-CJLVFECKSA-N	559.575	4.177	10	40	KICB	
COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1	658282	FJGNAXWBKLSFTF-UCQKPKSFSA-N	571.449	4.393	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	6354169	WRBBMWLXAJSUSW-OCEWKHMESA-N	558.616	4.033	10	40	KICB	
CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)CC1	97947680	KVQAKFCOABQVNB-JCMHNJIXSA-N	566.680	4.323	10	40	KICB	
O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)NC3CCCCC3)C2=O)SC1=S)NC1CCCCC1	101002475	IBEKPALFFDIKHM-QURGRASLSA-N	596.866	4.377	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)c(OC)c3)C2=O)cc1	408800219	NWEKRNUJWGHCPR-HYARGMPZSA-N	500.507	4.036	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc(I)c1OC(C)C	408813828	VFWYMAOUVZVULP-CXUHLZMHSA-N	534.350	4.370	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)cc(Cl)c3OS(=O)(=O)c3ccccc3)C2=O)cc1	409072152	LXQWSSZDJCGKQP-XDHOZWIPSA-N	547.372	4.436	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCC(=O)Nc3ccc(C)cc3)C2=O)cc1	409226566	UWHRAIGTSLGWLJ-HYARGMPZSA-N	592.402	4.228	10	40	KICB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c1C	409237573	VOTJKKSPEHXTGN-UDWIEESQSA-N	504.568	4.459	10	40	KICB	
Cc1cc(C(=O)COC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c(C)n1C[C@H]1CCCO1	25395899	VYZJDISXDXVKJC-QGZVFWFLSA-N	516.506	4.007	10	40	KICB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O	408532529	IHYGQZQBGBVIPE-NIFOVZITSA-N	501.426	4.019	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@H]1c1ccc(OCC)cc1	2164017	JGICRTNOGMLNKF-HDFSHUSISA-N	599.709	4.391	10	40	KICB	
C[C@H]1CN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)C[C@@H](C)O1	26533271	DMILYCJQXMSZDS-YEFOVVMBSA-N	506.653	4.271	10	40	KICB	
O=C1[C@H]2[C@@H](C(=O)N1C1CCCCC1)[C@H](c1ccc(I)cc1)OC21C(=O)c2ccccc2C1=O	100506382	KJYCISBNTAQCMW-NJYVYQBISA-N	555.368	4.114	10	40	KICB	
O=C1[C@@H]2[C@@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1ccc(F)cc1	101130362	OICVASDHEJUTFN-PWRODBHTSA-N	520.310	4.283	10	40	KICB	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1cccc2ccccc12	101393979	BHTMQODBKARZOL-KZVRHOHFSA-N	534.619	4.439	10	40	KICB	
O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(CCOc2ccc3c(c2)OCO3)c2ccc(Br)cc12	104881979	GJYDZFYVXIVPHX-UFFVCSGVSA-N	578.375	4.467	10	40	KICB	
O=C(COc1c(Br)cc(C=C2C(=O)NC(=S)NC2=O)cc1Br)Nc1ccc(Cl)c(Cl)c1	408551064	JJFUXRRDYKOKAJ-UHFFFAOYSA-N	608.095	4.450	10	40	KICB	
COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(I)c1OCc1ccccc1F	409025731	ZTQXXIIODLZHFC-MFOYZWKCSA-N	526.327	4.124	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1	409045729	HJEDYOLUPQJSAG-FYJGNVAPSA-N	669.428	4.160	10	40	KICB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	409057265	JLKCVULKHOTBLX-ZNRKBWGRSA-N	579.678	4.265	10	40	KICB	
Cc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O	409265347	HSFBVDRPVPLCAG-DEDYPNTBSA-N	507.905	4.471	10	40	KICB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1C	409407951	OFHYWBPGJHGSNA-UNOMPAQXSA-N	583.382	4.087	10	40	KICB	
CCN1C(=O)/C(=C\c2cn(CC(=O)N3[C@@H](C)CCC[C@H]3C)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21	8778041	RNAQMGLCSPQXPB-OCIQCHLGSA-N	590.746	4.359	10	40	KICB	
COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCC3)cc2)c2cccc(Cl)c2)cc1	13649539	LYKRFRJMWUKRKW-UHFFFAOYSA-N	514.047	4.461	10	40	KICB	
COC(=O)C[C@@H](c1ccc(OC(C)C)c(OC)c1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	97971839	BTENIZLVUHQZGI-INIZCTEOSA-N	552.532	4.479	10	40	KICB	biogenic
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(I)cc1	408770930	CKWQIRNEYUBUMP-VXLYETTFSA-N	555.328	4.094	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408878620	AZOIFYRFBQEXNG-XDHOZWIPSA-N	526.954	4.091	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1O	408881980	PIBXGYDFMCCEQL-AWNIVKPZSA-N	526.714	4.024	10	40	KICB	
COC(=O)C1=C(C)NC(=O)/C1=C/c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)o1	408883811	QYLKICDCGKPOES-MFKUBSTISA-N	520.607	4.248	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1	409361284	CBBPNGGTNMNVAA-STZFKDTASA-N	519.554	4.073	10	40	KICB	
CN1C(=O)[C@]2(c3cc(Cl)ccc31)N(C)C[C@H](c1ccco1)[C@@]21SC(=S)N(Cc2ccco2)C1=O	35808795	OCHPSJZGZHFTPG-CQLNOVPUSA-N	514.028	4.226	10	40	KICB	
O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	408692525	OKDGZSBXEDEXCM-WOJGMQOQSA-N	514.332	4.341	10	40	KICB	
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1	408773793	SRDYUHPSOLCBGH-FYJGNVAPSA-N	521.323	4.393	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC	408990417	VRYIEBMBGFSMOG-XQNWCSQWSA-N	585.682	4.001	10	40	KICB	
COc1ccccc1NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1OC	409383013	SUGQXZCLRSEXRF-XDHOZWIPSA-N	549.967	4.350	10	40	KICB	
CCOc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc(I)c1O	13880305	YLVOHSFOTATTBF-OQLLNIDSSA-N	500.383	4.351	10	40	KICB	
CN1C[C@@H](c2cccc([N+](=O)[O-])c2)[C@@]2(SC(=S)N(Cc3ccco3)C2=O)[C@]12C(=O)Nc1ccc(F)cc12	98007444	DEGMUQLPHYVTCX-LQGLAIQGSA-N	538.582	4.003	10	40	KICB	
O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1cc(Br)cc(I)c1O	100194508	MDLOSUCVSDWXSU-LFYBBSHMSA-N	608.049	4.353	10	40	KICB	
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2ccc3c(c2)OCO3)c(Br)c1	103846155	WTLLCYSXEVGWAP-REZTVBANSA-N	565.332	4.152	10	40	KICB	
COC(=O)C[C@@H](c1coc2ccc(OC)cc2c1=O)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12	108450107	OSBPJMJOMFIWDL-INIZCTEOSA-N	530.485	4.387	10	40	KICB	biogenic
Cc1cc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c(C)cc1Br	408690593	WAODWGNDXBHQSD-JTAQYXEDSA-N	539.426	4.110	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1	408804474	AGPXEPZWMWUOER-HYARGMPZSA-N	545.504	4.026	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C(=O)O)ccc4C)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	409000933	ZBTBGJCPJILSOC-ZGOFBEGVSA-N	571.655	4.131	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4C)c3C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409044052	NPYQPEXDIDKCKS-VKSQQWFDSA-N	688.759	4.373	10	40	KICB	
O=C1NC(=S)NC(=O)C1=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1	409082454	SNKVGJDQIXZUQM-UHFFFAOYSA-N	516.251	4.083	10	40	KICB	
CCN1C(=O)/C(=C/c2cn(CCOc3ccccc3F)c3ccc(Br)cc23)C(=O)NC1=S	409142473	AENUDFKBZSSCHS-GZTJUZNOSA-N	516.392	4.269	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1	409227443	YRVDAGYEVCEFII-UDWIEESQSA-N	523.904	4.172	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C	409251269	PDROYHHRCJGLQY-HMAPJEAMSA-N	558.547	4.294	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccc(OC)cc1	409256843	MNKLRGWLVLUJGK-FVHJOOJJSA-N	528.652	4.492	10	40	KICB	
COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)C1=O	409275173	ZHPDCSOQEPCRRK-LPYMAVHISA-N	505.552	4.476	10	40	KICB	
O=C(COc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl)Nc1ccc(F)cc1	409363108	JMVUXRVRGLFQSZ-GRSHGNNSSA-N	538.875	4.071	10	40	KICB	
CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1	2643231	PFZWPGLYJMUDGP-NTEUORMPSA-N	538.622	4.293	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N(CCS(=O)(=O)O)C2=O)ccc1OCc1ccc(Cl)cc1	12274899	IJNTZJRVXASEGH-UNOMPAQXSA-N	514.046	4.407	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCc4ccccc4)C3=O)c(N3CCSCC3)nc12	12343985	ZICISAJHQDPOAH-FXBPSFAMSA-N	522.721	4.390	10	40	KICB	
CCOC(=O)[C@@](CCCN1C(=O)c2ccccc2C1=O)(/N=N/c1cc2c(C)cc(=O)oc2cc1C)C(C)=O	97963938	LSNRJBPBMOIRBV-FXOLTEBKSA-N	517.538	4.461	10	40	KICB	
CCOc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OC(=O)c1ccc(OC)cc1	97964809	PJCFPPDKHWAYJZ-DDSBZIKFSA-N	527.562	4.376	10	40	KICB	
Cc1c2c(cc(=O)n1CCCN1CCOCC1)[C@@H](C(=O)Nc1ccc(Br)cc1)NN(c1nc3ccccc3s1)C2=O	98042794	RFLJZELNSRQVNX-SANMLTNESA-N	637.560	4.096	10	40	KICB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(I)cc2)C1=O	408532031	HXHIJQFSEJCFKB-WBDHZMATSA-N	609.332	4.485	10	40	KICB	
CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1Br	408771305	GWEAIMKINXVUJN-LZYBPNLTSA-N	580.229	4.437	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1cccc(C(=O)O)c1	408901704	ALJJJYKKDKSREF-VXLYETTFSA-N	616.339	4.383	10	40	KICB	
O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1	408939108	LSRYFDLLGRSYKU-UDWIEESQSA-N	522.857	4.402	10	40	KICB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@@H]1c1ccccc1OC	409105765	KJPKYWHCYZBNJS-FJNIOPPGSA-N	598.725	4.248	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1	409223065	GDYHKEDCNUDOPQ-HYARGMPZSA-N	549.967	4.431	10	40	KICB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3c(C)n(Cc4ccc5c(c4)OCO5)c4ccccc34)C2=O)o1	409399469	IYHYVWQTPXXXEF-MTJSOVHGSA-N	513.506	4.199	10	40	KICB	
COC(=O)COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O	8749358	XDASJSMVJZKHEE-ZMOGYAJESA-N	514.578	4.373	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(C(=O)O)cc1	12363846	CLSIRBQMSXAGPB-FYJGNVAPSA-N	502.548	4.112	10	40	KICB	
COc1cccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]32)c1	101130205	DXGIDUPULYCHNC-BDTNDASRSA-N	532.346	4.153	10	40	KICB	
O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(I)cc(I)c1O	150383380	ILLWEPDSJIRDST-XGICHPGQSA-N	655.049	4.195	10	40	KICB	
Cc1c(Br)ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1C	408677559	AVRDRHAJKNZSNL-JTAQYXEDSA-N	539.426	4.110	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(C(=O)O)c4)c(OC)c3)C2=O)cc1	408854923	KTWCLPDFOLMFHE-HYARGMPZSA-N	516.506	4.038	10	40	KICB	
COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1	409013669	CLMHFLWVVMYJNZ-HYARGMPZSA-N	525.989	4.193	10	40	KICB	
Cc1cccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)cc2)c1	409049531	XKVIODRTFWIMTE-HYARGMPZSA-N	534.366	4.441	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc(I)c1OC	409126539	CEGGTKPWIRPQKH-OQLLNIDSSA-N	536.391	4.147	10	40	KICB	
COc1ccc(NC(=O)COc2cccc(/C=C3\C(=O)NC(=O)N(c4cc(Cl)ccc4C)C3=O)c2)cc1	409381038	DEVRQNJEGULERZ-LPYMAVHISA-N	519.941	4.341	10	40	KICB	
COc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1	409387426	QHMGCYWVBZNHHJ-HYARGMPZSA-N	580.391	4.150	10	40	KICB	
Cc1ccc2nc(NCCc3ccccc3)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1	2319986	FWANLGLTOJMXSC-BJLUOBIUSA-N	506.653	4.038	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccc(F)cc1	100747195	KUHFCAWQBHBJBK-KMBIYUNPSA-N	560.607	4.253	10	40	KICB	
O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1cc(Cl)ccc1Cl	408691185	YRWYBANXKQFXHZ-LVCYWYKZSA-N	501.366	4.038	10	40	KICB	
CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc(Br)c1OC	409329016	CDOZIKUFRYLGDQ-GZTJUZNOSA-N	523.430	4.411	10	40	KICB	
Cc1cc(C(=O)COC(=O)CNS(=O)(=O)/C=C/c2ccccc2)c(C)n1-c1ccc(Br)cc1	3298779	DTEHDPQHHAMTCV-OUKQBFOZSA-N	531.428	4.173	10	40	KICB	
C[C@H]1CN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)C[C@@H](C)O1	26533282	DMILYCJQXMSZDS-ZLPZKLDZSA-N	506.653	4.271	10	40	KICB	
CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](CNc1cc(C)c(C)cc1/N=N\c1ccc([N+](=O)[O-])cc1)OC(C)=O	104361035	IHOVYQIUFLJFMV-PTOWIJSBSA-N	572.571	4.397	10	40	KICB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(O)c(I)c3)C2=O)cc1C	408842819	BVFIHARNMRVROA-AWNIVKPZSA-N	541.139	4.043	10	40	KICB	
COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1OCC(=O)Nc1ccc(C)cc1	408895307	DWVUZPNWMVLNMV-KGENOOAVSA-N	519.941	4.341	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCC(=O)O	409045902	JOMWEMVGVOXERF-RGVLZGJSSA-N	536.924	4.057	10	40	KICB	
O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1	409073203	VKQBDOHAJKMYSW-VXLYETTFSA-N	566.320	4.301	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(F)cc4)c(Br)c3)C2=O)cc1	409363251	KTOXMDLTRZBHSY-NDENLUEZSA-N	596.365	4.059	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1OC	409389437	ZCBVXCDHIIOQBK-MOSHPQCFSA-N	608.003	4.218	10	40	KICB	
COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(I)c1OCc1ccc(C)cc1	661276	SMZARLAZBDNILS-ZDLGFXPLSA-N	522.364	4.294	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	8450436	FARGUFZFRYLFSU-HZHHUVPKSA-N	642.778	4.060	10	40	KICB	
Cc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1	100762058	RHRNUXXSWZTDIA-JLPGSUDCSA-N	557.701	4.320	10	40	KICB	
COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cc(Cl)c(NS(=O)(=O)c2cc(C(=O)O)ccc2OC)c(Cl)c1	101653345	IOBOFGRZRMCAKG-UHFFFAOYSA-N	605.430	4.009	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4C)c(Cl)c3)C2=O)cc1	409270469	PXMAKBFBBXJNNM-DEDYPNTBSA-N	519.941	4.341	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1	409362103	FNQKVPZHFXEIAN-UNOMPAQXSA-N	537.931	4.480	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1	1835131	AHXRZZAMWIGREZ-BCUAHEQISA-N	500.554	4.203	10	40	KICB	
COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(Cl)cc3NC(=O)c3cccs3)CC2)cc1	12632571	OIYJQHBLPYTABY-UHFFFAOYSA-N	514.003	4.168	10	40	KICB	
COc1ccc(N2CCN([C@H](c3cc4cc(C)ccc4[nH]c3=O)c3nnnn3C3CCCCC3)CC2)cc1	19826063	POLQGVPWMBAFIA-HHHXNRCGSA-N	513.646	4.248	10	40	KICB	
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1OCc1ccc(F)cc1	59139823	BXBKMFZHRRYTLL-UHFFFAOYSA-N	507.381	4.165	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1	100185644	HALYNTKEVFPDKW-QTTRZTASSA-N	572.643	4.123	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408692146	FHCWEIZPUFVASY-VCHYOVAHSA-N	544.358	4.349	10	40	KICB	
O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccc(I)cc2)cc1	408692791	VNGQJRFZFMNIOH-DEDYPNTBSA-N	516.335	4.275	10	40	KICB	
CCOc1ccc2c(c1)C(=C1SC(C(=O)OC)=C(C(=O)OC)S1)C(=S)C(C)(C)N2C(=O)c1cnccn1	408735736	WHMUZUBFDZROEW-UHFFFAOYSA-N	557.675	4.390	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OC)c(Br)c3)C2=O)cc1	408741255	OWWVVBXINFNCMZ-RIYZIHGNSA-N	524.165	4.285	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCc1ccccc1	408807463	COAXYIDKFSKNOR-VXLYETTFSA-N	599.337	4.453	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC(=O)Nc4ccccc4)c(OC)c3)C2=O)cc1	409053443	CQXHZYJYSLSVQD-UDWIEESQSA-N	580.391	4.150	10	40	KICB	
CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(OC)cc4OC)C3=O)c2C)cc1	409103824	WYUXMYWIFCQIBV-HYARGMPZSA-N	505.596	4.341	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1	409219251	OULDBRNVDGSSEY-HYARGMPZSA-N	577.977	4.209	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1	409407750	OAZDRFWGGDBWBQ-MOSHPQCFSA-N	536.382	4.327	10	40	KICB	
Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCC(C)C)c2ccc(N(C)C)cc2)c(C)c1	6195255	ZNJBNXMCICXZRQ-XMMPIXPASA-N	536.702	4.057	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1ccc(Br)cc1	8444696	XEKMBHXIVNOCHQ-VLOXRPPESA-N	605.352	4.389	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCc1cccc(C(=O)O)c1	59302789	HJZVPUGDPCEOLD-FYJGNVAPSA-N	516.575	4.421	10	40	KICB	
CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)C(=O)NC2=S)cc1	408776967	SPBGMVZUNZESEA-NLRVBDNBSA-N	530.650	4.161	10	40	KICB	
Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)cc2)cc1	408902345	HTQJVQYCPCLAIH-HYARGMPZSA-N	534.366	4.441	10	40	KICB	
CCc1ccccc1-n1c(C)cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)c1C	408965763	IKQVPWIAIHHWFV-ITYLOYPMSA-N	527.625	4.025	10	40	KICB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409099043	RSCPCMSYHOQXME-MBSKNMOHSA-N	628.751	4.257	10	40	KICB	
Cc1cc(NC(=O)COc2cccc(/C=C3\SC(=S)N(CCC(=O)O)C3=O)c2)ccc1Br	409256918	OCJGOTPQTKAYQK-WQRHYEAKSA-N	535.441	4.451	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1O	409330081	JKZOMOBDTYCMTH-ZSOIEALJSA-N	514.322	4.319	10	40	KICB	
COc1cc(OC)cc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccc(O)c(O)c2)c1	902668	FWJMGZRRDFLSFL-LJAQVGFWSA-N	559.623	4.083	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)OCC)cc4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	2992393	CTKPUFPLWSOYBG-IAOUMNOZSA-N	585.682	4.301	10	40	KICB	
COc1ccc(N2CCN([C@H](c3cc4c(C)cc(C)cc4[nH]c3=O)c3nnnn3Cc3ccccc3)CC2)cc1	6193850	VMFIBLJMAAWVKF-GDLZYMKVSA-N	535.652	4.100	10	40	KICB	
Cc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC(C)(C)C)c2ccc(N(C)C)cc2)cc1	13028473	CVNKNTZQLBBTHN-NDEPHWFRSA-N	512.658	4.491	10	40	KICB	
COC(=O)C[C@@H](c1cccc2cccnc12)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	96116157	CWYXUSHRWPIGDL-INIZCTEOSA-N	515.474	4.231	10	40	KICB	biogenic
O=C1[C@H]2[C@H](C(=O)N1c1ccc(Br)cc1)[C@](Cc1c[nH]c3ccccc13)(C(=O)O)N[C@H]2c1ccccc1O	101075999	YHCPPBZNPZUVIH-NLJXWPIHSA-N	560.404	4.152	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccc(F)cc1	408800361	OMSXOCXQPVTDGW-SJJVXOANSA-N	515.610	4.345	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc(F)cc1	408803103	LGONNVBRFBRVDZ-CIAFOILYSA-N	505.458	4.378	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCC(=O)Nc3cccc(C)c3)C2=O)cc1	409049961	YZPCERDEWZRWBZ-HYARGMPZSA-N	547.951	4.119	10	40	KICB	
COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(OC)cc4OC)C3=O)c2C)c1C	409095435	HWSBGIRNXABPRX-FYJGNVAPSA-N	533.606	4.038	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)Nc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1	409219240	KKXINEBEHOTLTL-RGVLZGJSSA-N	598.395	4.473	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCC(=O)Nc3ccc(C)cc3)C2=O)cc1	409223284	GRZQDUVKNCEUAU-HYARGMPZSA-N	519.941	4.341	10	40	KICB	
O=C(COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl)Nc1ccc(F)cc1	409363295	LJTHBUXMPGIADH-ODLFYWEKSA-N	538.875	4.071	10	40	KICB	
COc1ccc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(=O)(=O)c2ccccc2)c(OC)c1	13670589	ONHRCEMUJSOQFQ-UHFFFAOYSA-N	523.655	4.206	10	40	KICB	
O=S(=O)(O)c1ccccc1/N=N/c1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3ccccc3S(=O)(=O)O)c(O)c2c1O	95736190	ILROUJLNAZOVJV-OGGGYYITSA-N	688.652	4.069	10	40	KICB	
O=C1N[C@H](c2cc(Br)cc(Br)c2O)[C@@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1	102137349	MHILTQZWXCCEAM-FIXISWKDSA-N	544.143	4.083	10	40	KICB	
O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccc(Br)c(Cl)c1	408677975	BDSZKPQPXMNUFU-OPYAIIAOSA-N	545.817	4.147	10	40	KICB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408877335	UXUNWVXPBXKDCV-UHFFFAOYSA-N	577.227	4.490	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)c(Cl)c4)cc3)C2=O)cc1	409267536	NKZRYZHMMUOWFV-XKZIYDEJSA-N	547.951	4.119	10	40	KICB	
O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br)Nc1ccccc1F	409378390	OSCNQBQUJFDHCK-GZTJUZNOSA-N	556.319	4.411	10	40	KICB	
CCOC(=O)c1c(C)n(Cc2ccccc2)c2cc(Br)c(O)c(CN3CCN(C)CC3)c12	23375533	DFIFHOGOGKHDPV-UHFFFAOYSA-N	500.437	4.390	10	40	KICB	
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2)C1	27528267	FIXVMUDJEAPWBN-ROUUACIJSA-N	502.592	4.381	10	40	KICB	
COc1ccc(/C=C2\SC(N3CCN(C(=O)CCN4C(=O)/C(=C\c5ccc(OC)cc5)SC4=S)CC3)=NC2=O)cc1	102974141	KNIYVDDGACPPON-QFFDILLMSA-N	608.767	4.110	10	40	KICB	
COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1	103920181	IHVUMDPSJSZPAG-JLPGSUDCSA-N	562.633	4.144	10	40	KICB	
COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)/C=C/c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3)CC2)cc1	105354384	AJFCIJWLKHDXPW-QLKAYGNNSA-N	571.634	4.054	10	40	KICB	
COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc([N+](=O)[O-])ccc2OC)c1C	223728547	RUHIOJWBAWEPHE-LOSJGSFVSA-N	523.615	4.332	10	40	KICB	
C[C@H]1CCCN(c2ccc(CNS(=O)(=O)c3nnc(NC(=O)c4ccc(Cl)cc4)s3)cc2)C1	225664473	WBHYNERPBNOWHV-HNNXBMFYSA-N	506.053	4.159	10	40	KICB	
CCOc1cccc(N2C(=O)/C(=C/c3cc(Br)c(Br)o3)C(=O)NC2=S)c1	408951258	IMBWOZUWUIZQBM-KPKJPENVSA-N	500.168	4.035	10	40	KICB	
CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1	409014798	KDAOYFJZCMZSOI-KOEQRZSOSA-N	536.606	4.424	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(C(=O)O)o1	409386320	SBUUBKKCJJDYTI-YBFXNURJSA-N	506.536	4.014	10	40	KICB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccc(Br)cc1	409410324	VGMUUHAUABXWIK-AQTBWJFISA-N	508.284	4.038	10	40	KICB	
CN(C)c1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCN([C@@H](c3ccc(N(C)C)cc3)c3nnnn3Cc3ccccc3)CC2)cc1	150386009	PUWZWDFXZBNEFC-ZPGRZCPFSA-N	668.854	4.385	10	40	KICB	
COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)ccc1NS(C)(=O)=O	225419091	DPGWXCFJQNMBQR-UIOOFZCWSA-N	548.694	4.441	10	40	KICB	
COc1cccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)ccc3OC(=O)c3ccc4c(c3)OCO4)C2=O)c1	408537322	VGSVWEAPFULQFK-GRSHGNNSSA-N	565.332	4.072	10	40	KICB	
O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(O)c(Br)c1	408722624	MKNVSVANHNJOBO-VZUCSPMQSA-N	516.598	4.402	10	40	KICB	
COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1OCc1cccc(C(=O)O)c1	408902086	FPSXAVYYSMFAEY-DEDYPNTBSA-N	551.349	4.401	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409024876	YPCWJTZJFDNRBA-ITNPZBTBSA-N	600.741	4.289	10	40	KICB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1ccc(Cl)cc1	409105461	JWSHJYIQHNZNRB-MKWGYRPRSA-N	553.128	4.309	10	40	KICB	
COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C(=O)O)cc(C(=O)O)c4)o3)C2=O)cc1	409170650	WUGXJRUBGBITCM-RGVLZGJSSA-N	522.491	4.027	10	40	KICB	
COC(=O)Cc1c(-c2ccc(O)c(OC)c2)oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c12	604404610	FTNKMUXQZJGKCO-UHFFFAOYSA-N	520.446	4.125	10	40	KICB	biogenic
CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c1	101060556	IDEBTTYCSLNENK-ALFKQNEGSA-N	525.677	4.326	10	40	KICB	
COc1ccc(N2C(=O)/C(=C\c3cc(I)c(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C(=O)NC2=S)cc1	408764875	NNZNIDMRTBAHFT-NDENLUEZSA-N	664.499	4.216	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	409149841	SDNDBGDLVXLWMY-WNRWPCNTSA-N	575.716	4.015	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409179831	NUTUHZMRAVFGHS-XKZIYDEJSA-N	585.641	4.226	10	40	KICB	
Cc1cc(C(=O)COC(=O)Cn2nc(-c3ccccc3)oc2=O)c(C)n1-c1ccc(OC(F)(F)F)cc1	13095481	PUBRZQLXXHNPNB-UHFFFAOYSA-N	515.444	4.236	10	40	KICB	
COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	41078351	XNUUSVBAIWGAMX-NSVROCRESA-N	513.304	4.395	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1ccc(Br)cc1	100264213	XEKMBHXIVNOCHQ-IMEWXKHHSA-N	605.352	4.389	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408534445	LZJFMLQVOWLTQZ-DEDYPNTBSA-N	627.347	4.484	10	40	KICB	
O=C1NC(=S)NC(=O)C1=Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1	408896507	RMOYAMPXPVPICN-UHFFFAOYSA-N	530.625	4.358	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)O)c4C)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	408996457	PENAQWKTUJSXFK-ZGOFBEGVSA-N	571.655	4.131	10	40	KICB	
CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)N1CCOCC1	409010851	FPSNLIYVTOQZKT-UHFFFAOYSA-N	571.655	4.071	10	40	KICB	
Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc(Cl)c(C(=O)O)c4)c3C)C2=O)cc1	409023336	KLVNMCNAGBKLSS-SSDVNMTOSA-N	506.946	4.286	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)C2=O)cc1	409227373	YAUKLAJQFGNLAP-CIAFOILYSA-N	669.428	4.079	10	40	KICB	
CCOCCCN1C(=O)/C(=C/c2c(N3C[C@H](C)C[C@@H](C)C3)nc3c(C)cccn3c2=O)SC1=S	26503378	RPLZPJKRIIZKMS-ARHDRIAESA-N	500.690	4.113	10	40	KICB	
Cc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	33149412	ANNMFYDZXMVBCO-WOJGMQOQSA-N	507.499	4.301	10	40	KICB	
COC(=O)C[C@H](c1ccc(OC)c(OC)c1OC)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12	96221400	XVBHJHSLASYAHQ-MRXNPFEDSA-N	522.506	4.298	10	40	KICB	biogenic
CCOc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OCc1ccc(C)cc1	97964465	KRADXFWDILFXQH-ONAIEWRJSA-N	533.031	4.247	10	40	KICB	
CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1I	408779164	AXITWWYXXRJBFH-VGOFMYFVSA-N	633.620	4.315	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OS(=O)(=O)c1ccccc1	409073597	QMKBKZXOCWOGDF-XSFVSMFZSA-N	571.405	4.282	10	40	KICB	
O=C(CN1CCOCCOc2ccc(N3CCOCC3)cc2Cc2cccc(c2)C1)Nc1cccc(F)c1	643589199	QFFAZSYTHOAGDV-UHFFFAOYSA-N	519.617	4.103	10	40	KICB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1	408815664	SXFUPBRJWJYJCB-HYARGMPZSA-N	501.495	4.411	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1O	408889940	LMAFENHVRZJDJT-KPKJPENVSA-N	526.714	4.024	10	40	KICB	
O=C1/C(=C\c2cc(I)c(O)c([N+](=O)[O-])c2)C(C(F)(F)F)=NN1c1ccccc1	408971007	CLYJYQUXJAQGMR-WDZFZDKYSA-N	503.174	4.254	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	408990434	VUQKLXZIRYKBFL-IPAKXIGBSA-N	584.698	4.001	10	40	KICB	
O=C(NCc1ccccc1)[C@@H](c1ccc(O)c(O)c1)N(C(=O)Cn1nnc2ccccc21)c1cccc(F)c1	922661	GTCGPPJALCTNEI-MUUNZHRXSA-N	525.540	4.073	10	40	KICB	
Cc1cc(C)cc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCc2ccc(F)cc2)c2ccc(N(C)C)cc2)c1	6193906	SROGXUMQGWVDMJ-SANMLTNESA-N	574.682	4.351	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(OCC)cc1	15018602	BPCNCWWXBPUKRD-MBXGISOLSA-N	519.667	4.043	10	40	KICB	
C/C(NCCCCN[C@@H](C)[C@H]1N=C(c2ccc(Cl)cc2)OC1=O)=C1\N=C(c2ccc(Cl)cc2)OC1=O	97944449	IPFLJLUJCGYYEL-AQUQNQQYSA-N	529.424	4.248	10	40	KICB	
COc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O	409383319	UGEDMBDNRMQEDC-RGEXLXHISA-N	566.433	4.307	10	40	KICB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Br)c1OCC(=O)OC(C)C	409400080	OODRKOPHUIDMGW-DHDCSXOGSA-N	568.218	4.012	10	40	KICB	
O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)N(CCO)Cc1ccccc1	8820048	VNQZJKNDVVASRT-KQWNVCNZSA-N	512.653	4.198	10	40	KICB	
COc1ccc(N2C(=O)[C@H]3[C@H](c4cccc(Br)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	18115816	UKTNVCORPVFHQM-FSSWDIPSSA-N	532.346	4.153	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccc(CC)cc2)OC32C(=O)c3ccccc3C2=O)cc1	101099827	RYWBKIOCJMLTKQ-UBFVSLLYSA-N	523.541	4.121	10	40	KICB	
COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1	103611469	CDPIKJOYSLLJLT-SRZZPIQSSA-N	558.374	4.307	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1	150619713	HKIGSXFSNOQCQI-NWKGEQBZSA-N	635.378	4.398	10	40	KICB	
CCOC(=O)COc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1OCC	408984683	SMLQBISRTLTQQA-WQRHYEAKSA-N	545.386	4.019	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccccc1	409058160	RTTUVAUDQOTPNW-HZHRSRAPSA-N	513.550	4.386	10	40	KICB	
CC[C@H](C)Oc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc1OC	409167487	MQSAGFDDWSWRTO-LERPTODRSA-N	519.417	4.475	10	40	KICB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C(=O)O)cc(C(=O)O)c4)o3)C2=O)cc1	409171220	ZKWCTEDHLJDHKL-RGVLZGJSSA-N	506.492	4.326	10	40	KICB	
COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OCc1ccc(I)cc1	409339460	IJSNYMNEEFTHEB-RQZCQDPDSA-N	541.388	4.165	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1ccccc1Cl	2163908	XVSUAWIMTNWRFS-MGSPXPDISA-N	526.058	4.004	10	40	KICB	
COc1ccc(CCN2C(=O)/C(=C/c3c(NCCCOC(C)C)nc4ccccn4c3=O)SC2=S)cc1	100998789	CRLZMBYPOOKUIO-XLNRJJMWSA-N	538.695	4.374	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)NC2=O)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408759733	KLYAUVVQSUYFTF-DHDCSXOGSA-N	545.414	4.013	10	40	KICB	
COCCN1C(=O)/C(=C/c2cccn2-c2ccc(I)cc2)C(=O)N(c2ccccc2)C1=O	409011300	FZFLNBMWBWWGBU-PGMHBOJBSA-N	541.345	4.107	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	409147732	YVEOQYVWTFEMNL-QPJBPQEWSA-N	630.752	4.331	10	40	KICB	
COc1cccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c1O[C@@H](C)C(=O)O	409244946	KYBVTYCJKVOHJW-KRWDZBQOSA-N	502.548	4.295	10	40	KICB	
O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1	409373402	RNDLKYAXZJFONS-VCHYOVAHSA-N	573.299	4.033	10	40	KICB	
CC(C)CN1C(=O)/C(=C/c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC1=S	2247153	AXOYTXFAIBTQFE-QNGOZBTKSA-N	523.659	4.017	10	40	KICB	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OC(=O)c1ccc(C)cc1	101396883	YVZJZKZYMKPHNW-JZSRTLTASA-N	540.623	4.013	10	40	KICB	
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3cc(C)n(-c4ccc(NC(C)=O)cc4)c3C)c2=O)=N1	409038675	QBAZGWXJOHTNKY-YNMQQHPQSA-N	554.672	4.164	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)NCc1ccccc1	409249881	JCJNGXDFQCPDBZ-FVHJOOJJSA-N	512.653	4.161	10	40	KICB	
O=c1sc2cc(S(=O)(=O)NCc3ccc(N4CCOCC4)cc3)ccc2n1Cc1ccc(Cl)cc1	225788518	OVXIZKYOLIZUSZ-UHFFFAOYSA-N	530.071	4.080	10	40	KICB	
COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)Nc4ccc(C)c(Cl)c4)cc3)CC2)cc1	408610074	UVFLFFFCAORLNP-UHFFFAOYSA-N	530.046	4.185	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@@H]1c1ccc(F)cc1	409018569	MZOKGEODTRMJRW-UQDCTOEPSA-N	587.673	4.440	10	40	KICB	
NC(=O)Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c2ccccc21	409385949	OVHWLSSCPFTMSK-BRJLIKDPSA-N	522.605	4.261	10	40	KICB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1Oc1ccc([N+](=O)[O-])cn1	409404932	FJKWXZDWJMNRMH-SXGWCWSVSA-N	511.288	4.015	10	40	KICB	
CC(C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)SC1=S	2370801	BDBLHTFTEUQSQD-STZFKDTASA-N	512.682	4.399	10	40	KICB	
O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Br)cc1)[C@H](c1cccc(F)c1)OC21C(=O)c2ccccc2C1=O	4119508	HZYSCVWIZYZWCD-NJYVYQBISA-N	520.310	4.283	10	40	KICB	
Cc1ccc(N2C(=O)[C@H]3[C@H](c4ccccc4O)N[C@@](Cc4c[nH]c5ccccc45)(C(=O)O)[C@@H]3C2=O)cc1C	9450907	MTYRNJBYRTZUPC-NHICWYPXSA-N	509.562	4.007	10	40	KICB	
COC(=O)[C@H]1[C@H](c2cc(OC)c(OC)c(OC)c2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	34720867	WNRPPOKGKWYFDD-UODIDJSMSA-N	525.557	4.319	10	40	KICB	biogenic
CCOC(=O)Oc1c2c(c(OC(=O)OCC)c3c1C(=O)c1cccc(OC)c1C3=O)[C@@H](OC(=O)OCC)C[C@](O)(C(C)=O)C2	77319750	YJTXQIIZHCNWLB-PBYQXAPXSA-N	614.556	4.022	10	40	KICB	in-vitro
O=C(O)CN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3Cl)cc2)SC1=S	101097112	XQKQOIABTHGZKY-APSNUPSMSA-N	541.832	4.406	10	40	KICB	
COCCN1C(=O)/C(=C/c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)o2)C(C(=O)OC)=C1C	409017318	FSNSMEPMNWMLPJ-OVVQPSECSA-N	564.660	4.298	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1cccc(OC)c1	409258353	WOAQYAMBYSEIQC-YTLMXASBSA-N	528.652	4.492	10	40	KICB	
CC[C@@H](C)Nc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O	2322331	ZLSSCWQRMINVPZ-UWOKGBPVSA-N	508.625	4.343	10	40	KICB	
COc1ccc(N2CCN(C(=O)CN(c3cccc(Br)c3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1	59647134	GVZCYTFDIDROAG-UHFFFAOYSA-N	558.498	4.310	10	40	KICB	
COc1ccc(CCN2C(=O)/C(=C/c3c(N4CCCCC4)nc4ccccn4c3=O)SC2=S)cc1OC	100737229	MEWIHXZEEPSLCL-XLNRJJMWSA-N	536.679	4.146	10	40	KICB	
CCCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OCC	408801879	WIJNMJSHHIYTOJ-CXUHLZMHSA-N	565.320	4.053	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(Br)cc1O	408848865	WPLKOZZQEODPPU-WEVVVXLNSA-N	502.173	4.301	10	40	KICB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(CCOC)C(=O)N(c4ccccc4)C3=O)c2C)cc1	409010675	CZJQGJGNRTZALA-BWAHOGKJSA-N	515.566	4.296	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C	409264674	PALJCZHTQSXEEB-JAIQZWGSSA-N	549.967	4.355	10	40	KICB	
O=C(COc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(O)cc2)C1=O)Nc1ccccc1Cl	409267049	RVCNLTZHGRWJSF-PDGQHHTCSA-N	570.783	4.492	10	40	KICB	
CCCOc1cc(Br)c(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OCC	409353153	YRMQGRVXGXHXEN-BOPFTXTBSA-N	531.359	4.090	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(F)c1	409406665	KQGYCPPAGVPQNU-JAIQZWGSSA-N	554.372	4.466	10	40	KICB	
CN1C(=O)/C(=C\c2cn(CCOc3ccc(F)cc3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21	8777634	HMLCWUFAACQLFN-IMRQLAEWSA-N	561.635	4.397	10	40	KICB	
COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccc(OC)cc12	9972257	NZXPVWLSLOPFPN-IWIPYMOSSA-N	503.584	4.158	10	40	KICB	
CN1C(=O)[C@]2(c3cc(Cl)ccc31)N(C)C[C@@H](c1ccco1)[C@@]21SC(=S)N(Cc2ccco2)C1=O	35808797	OCHPSJZGZHFTPG-DPSWKAHMSA-N	514.028	4.226	10	40	KICB	
Cc1cc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4O)o3)C2=O)ccc1Br	408759125	YDHWYRJPGAQEEY-MHWRWJLKSA-N	512.272	4.298	10	40	KICB	
CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	409091374	PXMUAXVCKSQHHU-LICLKQGHSA-N	515.396	4.266	10	40	KICB	
Cc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1ccc(I)cc1	409199452	DJNNZXQUUQYFEL-MTJSOVHGSA-N	558.351	4.369	10	40	KICB	
CCOc1c(I)cc(/C=C2/C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC	409235686	CWQZGSOOBYLCEN-AUWJEWJLSA-N	556.809	4.492	10	40	KICB	
Cc1ccc(N2C(=O)/C(=C/c3cc(Br)cc(I)c3O)C(=O)NC2=S)cc1C	1092771	MLADWLCXBCSSBJ-VGOFMYFVSA-N	557.207	4.207	10	40	KICB	
COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(N(C)C)cc2)C(C(=O)Nc2ccccc2C)=C(C)N=3)cc1	8450607	IHIKPMIWPXWBDH-RYOBIWAXSA-N	538.673	4.257	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc(Br)c1OCc1ccc(F)cc1	208663578	CLKTUVNGPRMNAZ-PXNMLYILSA-N	512.378	4.462	10	40	KICB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5ccc(OC)cc5)c4C)c(=O)n32)cc1OCC	408935260	NCESQTNELJKZME-FHGOPSEHSA-N	587.698	4.232	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1	409047842	PTVWEBVAIMHZBF-RGVLZGJSSA-N	564.938	4.331	10	40	KICB	
O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1	409068421	RJVHKQJPWBZKCU-UDWIEESQSA-N	537.322	4.098	10	40	KICB	
CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3C)NC2=S)cc1	409128811	GWUPVKIKJJSHQW-JLPGSUDCSA-N	547.637	4.500	10	40	KICB	
COc1ccc(/C=C2/C(=O)N(c3ccc(C)cc3)C(=S)N=C2O)cc1CN1C(=O)c2ccccc2C1=O	1835474	IMDCCYCMKMXIMB-HYARGMPZSA-N	511.559	4.471	10	40	KICB	
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)OCC(=O)c1cc(C)n(-c2ccccc2)c1C	3367308	HPHHZBZRTUAJNJ-SQUSKLHYSA-N	516.019	4.051	10	40	KICB	
O=C(NC1CCCC1)[C@@H](c1ccc(N2CCOCC2)cc1)N(C(=O)c1ccco1)c1ccc2c(c1)OCO2	13025106	YKNWKMJVODIRPH-HHHXNRCGSA-N	517.582	4.292	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(NC[C@@H](O)c3ccccc3)nc12	26531753	KAUHXARLEODCBV-TUNPGAEXSA-N	518.620	4.143	10	40	KICB	
Cc1ccc2nc(NCCCn3ccnc3)c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c(=O)n2c1	29747438	JZDIHSQOIZRKSU-JWGURIENSA-N	530.679	4.146	10	40	KICB	
CN(C)c1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCN([C@H](c3ccc(N(C)C)cc3)c3nnnn3Cc3ccccc3)CC2)cc1	150386010	PUWZWDFXZBNEFC-TYHGNQNSSA-N	668.854	4.385	10	40	KICB	
COc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Br)ccc2OC(=O)c2ccc([N+](=O)[O-])cc2)C1=O	408536882	SYXWZIPLKUVIGX-AQTBWJFISA-N	566.320	4.252	10	40	KICB	
CC(=O)Oc1cc(OC(C)=O)c(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc1I	408742112	NBODDMSMUNVGBE-CAOOACKPSA-N	504.276	4.432	10	40	KICB	
CCOc1cccc(N2C(=O)NC(=O)/C(=C/c3cn(CC(=O)Nc4ccccc4)c4ccccc34)C2=O)c1	408763090	HJQRGRASSQHPQW-IWIPYMOSSA-N	508.534	4.345	10	40	KICB	
O=C(COc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccc(F)cc1	409366193	YSADCHZXCAVQQK-JAIQZWGSSA-N	583.326	4.180	10	40	KICB	
CCc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccc(F)cc3)C(=O)NC2=S)cc1	409370277	OBJGFAXAKVMMER-PXLXIMEGSA-N	503.555	4.237	10	40	KICB	
COc1ccc(Cn2nnnc2[C@H](c2ccc(N(C)C)cc2)N2CCN(c3nc4ccccc4s3)CC2)cc1	1331302	MPPZBLNQBCDJNB-MHZLTWQESA-N	540.697	4.317	10	40	KICB	
COC(=O)c1c(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(N(C)C)cc4)[C@@H]3C2=O)sc(C)c1C	6144426	RYPUVJTXNMPBRA-ZRBLBEILSA-N	505.596	4.269	10	40	KICB	
Cc1ccc(C2=NN3C(=N)/C(=C/c4ccccc4OS(=O)(=O)c4ccccc4)C(=O)N=C3S2)cc1	8493324	CNFLMLZLRFZTDM-ARJKYRGMSA-N	502.577	4.430	10	40	KICB	
COc1ccc(S(=O)(=O)c2c(O)c(C)cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)c2C(C)C)cc1	26786859	MAZZJRATNKEMKK-UHFFFAOYSA-N	520.585	4.374	10	40	KICB	
O=C1/C(=C\c2cc(Br)c(N3CCOCC3)o2)C(O)=NC(=S)N1c1ccc(Br)cc1	97968444	FMWVABSHXWRTLS-ZROIWOOFSA-N	541.221	4.313	10	40	KICB	
CCOc1ccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1	100087643	YLVKTJZJCVWTGP-UHFFFAOYSA-N	588.524	4.196	10	40	KICB	
COc1ccc(N2CCN(CCCNC(=O)Cc3csc(Nc4nc(=S)[nH]c5ccccc45)n3)CC2)cc1	102742227	SMYSJVZECKPVFM-UHFFFAOYSA-N	549.726	4.372	10	40	KICB	
COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(=O)OC)c2)c1C	223742976	CKMQRGINRBBHLF-JWQCQUIFSA-N	506.628	4.201	10	40	KICB	
Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)C(=O)NC2=S)c1C	408768577	HHJOXRPBYJLDNO-KOEQRZSOSA-N	514.651	4.379	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1	409024456	YOJHFZWDIKREKC-HRIDGTDGSA-N	599.709	4.309	10	40	KICB	
COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(OC)cc4OC)C3=O)c2C)c(C)c1	409071016	MWZXGYHYTSMEQS-FYJGNVAPSA-N	533.606	4.038	10	40	KICB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)C2=O)cc1Cl	409362612	IOVPQPFIHNDATB-CIAFOILYSA-N	507.905	4.471	10	40	KICB	
O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)c(I)c1	409371615	FKTAAURSBNIVIR-LICLKQGHSA-N	546.292	4.264	10	40	KICB	
Cc1ccc(N2C(=O)[C@H]3[C@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	8434989	VUAMWUGAEXTRGG-FSSWDIPSSA-N	516.347	4.453	10	40	KICB	
COc1ccc(/C=C2\SC(=S)N(CCCC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1OC	8819484	BITQQHFQXYSCLV-NKFKGCMQSA-N	511.669	4.034	10	40	KICB	
CCCCN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC1=S	8860092	JQQJSAILSUAHMK-FXBPSFAMSA-N	523.659	4.162	10	40	KICB	
CN1C(=O)[C@]2(c3cc(Cl)ccc31)N(C)C[C@H](c1cccnc1)[C@@]21SC(=S)N(Cc2ccccc2)C1=O	102899038	KYNOTMXSBHKBMJ-AIGMYPEUSA-N	535.094	4.435	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	150389329	FARGUFZFRYLFSU-GSTVVXAASA-N	642.778	4.060	10	40	KICB	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)c3cc(Cl)ccc3O2)cc1	224875397	DSKXJVQKDPHQPT-VWLOTQADSA-N	514.047	4.459	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	408538205	ZEDWCPBIIHTCDM-YBFXNURJSA-N	611.401	4.369	10	40	KICB	
COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1	409010447	KNEBEGXLMLUAMZ-RGVLZGJSSA-N	569.401	4.109	10	40	KICB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)o1	409198541	BWSMUHZCLAVHBC-UUYOSTAYSA-N	520.519	4.399	10	40	KICB	
CCOC(=O)COc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc1OCC	409375017	DFDFFDPDSUQXQH-WOJGMQOQSA-N	561.454	4.183	10	40	KICB	
CCOc1c(I)cc(/C=C2/C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc1OC	409386562	MVBBLKACZDDIGT-YBEGLDIGSA-N	536.391	4.092	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(C(=O)O)cc4)cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	8450447	DZZGCYCFYKRHAI-NNAGEYCMSA-N	597.693	4.142	10	40	KICB	
CCOc1c(I)cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1OC	103860248	JGGGQNQMSFIXTM-ZSOIEALJSA-N	587.233	4.292	10	40	KICB	
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(OCc2ccc3c(c2)OCO3)c(I)c1	408854209	ZQHBZQNMSGBPIU-GIJQJNRQSA-N	586.313	4.404	10	40	KICB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@H](c3ccccc3)C(C(=O)OC)=C(CC)N=4)c2C)cc1	409039251	QZUUIASKFNPCOQ-FHMSYZJOSA-N	569.683	4.383	10	40	KICB	
COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2C)C1=O	409102726	TVEWJJCPMHXRFS-GZTJUZNOSA-N	514.376	4.041	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1C	409263183	IBQJCFTYLYKRQE-ODLFYWEKSA-N	656.389	4.200	10	40	KICB	
COc1cc(N2C(=O)NC(=O)/C(=C\c3cn(Cc4ccccc4)c4ccccc34)C2=O)cc(OC)c1OC	2276280	OLPTYBMXKOCIAR-LPYMAVHISA-N	511.534	4.382	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	8440642	UEMPXDCVOLNCIE-XQNWCSQWSA-N	558.679	4.411	10	40	KICB	
CC[C@@H](C)N1C(=O)/C(=C/c2c(N3CCN(c4ccc(OC)cc4)CC3)nc3c(C)cccn3c2=O)SC1=S	97957670	VOBJOWIPUJZAKQ-URPBSQGJSA-N	549.722	4.338	10	40	KICB	
CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C	408537072	YZTZOGGOTUUEKX-CYVLTUHYSA-N	523.435	4.348	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1	408882747	QOMPVXFNSFEKBK-KGENOOAVSA-N	526.954	4.091	10	40	KICB	
COc1ccccc1NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Cl	409381259	SNSBPMOWBURYNZ-LDADJPATSA-N	523.904	4.172	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccc(C(=O)O)o1	409387151	ZVYANYQCEJVPKF-YBFXNURJSA-N	506.536	4.014	10	40	KICB	
O=C(/C=C\c1ccccc1)N(C(=O)/C=C/c1ccccc1)S(=O)(=O)c1ccc(/N=N/N2CCOCC2)cc1	104572987	PANWASRJJZJYOS-FIKWYWGLSA-N	530.606	4.488	10	40	KICB	
COc1cc(N2N=C(C)/C(=C/Nc3cc4c(cc3N3CCCCC3)n(C)c(=O)n4C)C2=O)ccc1Cl	408532884	RKRQMJYEMTYJPQ-SDXDJHTJSA-N	509.010	4.248	10	40	KICB	
O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br)Nc1ccccc1	408902109	GGWCJVIZJDFDAM-XDHOZWIPSA-N	538.329	4.272	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC	408987740	QZKBYSMLUIFDJG-KEPJHFNWSA-N	615.708	4.010	10	40	KICB	
Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2Br)cc1	409224810	MVCVGCVGVUPVMN-UDWIEESQSA-N	579.363	4.350	10	40	KICB	
O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)C1=O)Nc1ccc(F)cc1F	409270582	HLDZQNDHDIHCPG-DJKKODMXSA-N	528.445	4.296	10	40	KICB	
CC1(C)C=C(CSc2nnc(-c3ccncc3)o2)c2cccc3c2N1C(=O)/C3=C1\SC(=S)NC1=O	1554503309	YZZTURKRXQRKCJ-VLGSPTGOSA-N	519.633	4.305	10	40	KICB	
O=C1C[C@H](c2ccc(O)c(O)c2)c2c(cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@H](O)[C@H]3c2c(O)cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@H](O)C3)O1	85648724	NWZBNZUABGSPSN-WRYDCQAKSA-N	740.670	4.142	10	40	KICB	biogenic,in-vitro
Cc1ccc2nc(N3CCN(c4ccccc4)CC3)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1	100870530	YPKWMUAEKWUTLL-QJOMJCCJSA-N	531.707	4.473	10	40	KICB	
Cc1cc(OCCCOc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)ccc1Cl	101394430	OPQRAMXUTGCJNW-IVTJCWFQSA-N	533.031	4.118	10	40	KICB	
C[C@H](OC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	103134600	CXUVPGVDYYVEEJ-ZDUSSCGKSA-N	541.438	4.371	10	40	KICB	
COc1ccc(N2CCN(CN3C(=O)[C@]4(OCC[C@H](Oc5ccc(Cl)cc5)O4)c4ccccc43)CC2)cc1	104161813	JNVVQAJVXLWWKP-PXJZQJOASA-N	536.028	4.470	10	40	KICB	
CCN(CC)c1ccc(CNC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1	225430502	KVVAKXXEXOCFSD-UHFFFAOYSA-N	525.671	4.370	10	40	KICB	
Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(O[C@H]3c3ccccc3)C(=O)c3ccccc3C2=O)c(Br)c1	245237754	UUGBDJJZXFXZHN-BDTNDASRSA-N	516.347	4.453	10	40	KICB	
Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(I)cc2)C(=O)NC1=S	408743785	YCYFWSXMDWYMJR-NTEUORMPSA-N	527.181	4.193	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(C)=O)cc4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	408980593	FWTMQPYDBDIGOZ-YNMQQHPQSA-N	555.656	4.327	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc(I)c1OC(C)C	409243754	YCJJWLSIQCWKMZ-OQLLNIDSSA-N	536.391	4.227	10	40	KICB	
O=C(O)COc1ccc(Br)cc1/C=C1/SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O	409339377	USDKDMFUUOGLHK-OVCLIPMQSA-N	527.805	4.112	10	40	KICB	
Cc1cc(C)cc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCc2ccccc2)c2ccc(N(C)C)cc2)c1	6193911	QVIAZTXROQNGLC-SANMLTNESA-N	556.692	4.212	10	40	KICB	
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCCCC2)cc1	10113122	IMVAUNJOGWCJOY-UHFFFAOYSA-N	508.600	4.097	10	40	KICB	
COC(=O)C[C@H](c1cccc2cccnc12)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	96116158	CWYXUSHRWPIGDL-MRXNPFEDSA-N	515.474	4.231	10	40	KICB	biogenic
CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1Br	409044196	UEXCNZGFKBTWHW-RIYZIHGNSA-N	552.175	4.063	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1	409336631	UAGPNAUEUTXYKB-MFCBUNOESA-N	572.643	4.341	10	40	KICB	
Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCC(C)C)c2ccc(N(C)C)cc2)cc1Cl	6280492	DNLAGDWFKNRIPI-HSZRJFAPSA-N	557.120	4.402	10	40	KICB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\NC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)c2C)c1	408968147	WSRVTESHNCCJMU-UCQKPKSFSA-N	520.973	4.456	10	40	KICB	
CCOc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)N1CCCC1	409345473	JBNVMCVUQFYXQR-FYJGNVAPSA-N	513.597	4.401	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409374732	XVQFHFXTCIADOH-RGVLZGJSSA-N	629.407	4.271	10	40	KICB	
CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C(=O)N=C2S1	41077800	ZWKRKKLWAJRSHL-ADKIWPJYSA-N	509.396	4.194	10	40	KICB	
CCOc1c(OC)cccc1[C@H]1CC(=O)Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c21	96222620	NVTDXTQTGOWOPS-CQSZACIVSA-N	506.463	4.131	10	40	KICB	biogenic
O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc(Br)c(Cl)c1	408677971	BDSZKPQPXMNUFU-LVCYWYKZSA-N	545.817	4.147	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3cc(C)cc(C)c3)C2=O)cc1	408891389	PYFPJVYUSDRQRH-ZVHZXABRSA-N	514.534	4.344	10	40	KICB	
CCOC(=O)c1ccc(N2N=C(C)/C(=C\c3c(C)nn(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3C)C2=O)cc1	408997897	PATVVZZWZPNUIC-FYJGNVAPSA-N	518.486	4.288	10	40	KICB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(s/c(=C/c3ccc(N4CCCCC4)cc3)c2=O)=N1	409058247	JVYBVKKTZKQJMH-XQNWCSQWSA-N	559.688	4.298	10	40	KICB	
Cc1ccc(NC(=O)COc2c(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc(Br)cc2[N+](=O)[O-])cc1	409399859	OBJWHYAPWBLPEG-NDENLUEZSA-N	551.353	4.145	10	40	KICB	
CCCN(CCC)c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCCCCC(=O)O)C1=O	9460756	LKUVTHBBSWZFQS-VLGSPTGOSA-N	502.662	4.167	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1cccc(C(=O)O)c1	408695446	VCYJPATXDWZKSU-VCHYOVAHSA-N	543.370	4.139	10	40	KICB	
O=C(O)COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1I	408773575	RLTNCSIMPZKRFE-RUDMXATFSA-N	687.011	4.332	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OCc1cccc(C(=O)O)c1	408846265	MHOHYZFTDVFNBV-QGMBQPNBSA-N	595.358	4.130	10	40	KICB	
CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(s/c(=C/c3ccc(N4CCCCC4)cc3)c2=O)=N1	409058246	JVYBVKKTZKQJMH-RGFRMHDHSA-N	559.688	4.298	10	40	KICB	
CC[C@@H](C)Oc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1OC	409107476	VZGYIWBNVCQEFX-BPKVKKHESA-N	549.443	4.484	10	40	KICB	
COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(C(=O)OCC(=O)Nc4ccc(C)cc4)cc3)SC2=S)cc1	409202122	ZURYWWIFQMAUGK-HAHDFKILSA-N	561.641	4.345	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1	409222231	BEJGGHJSNWCYGU-DEDYPNTBSA-N	505.914	4.033	10	40	KICB	
CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1Br	408769439	VAGDEJVMBFAJHP-OVCLIPMQSA-N	566.202	4.128	10	40	KICB	
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408813801	OWVGYHSMFFASPA-UHFFFAOYSA-N	514.159	4.483	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)O)c4C)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	408996456	PENAQWKTUJSXFK-BIWBSIMWSA-N	571.655	4.131	10	40	KICB	
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1	409003725	KJMJHICLNLMPQY-HZHRSRAPSA-N	533.968	4.455	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1	409045646	GVNRJYMCLRPOMQ-KGENOOAVSA-N	519.941	4.423	10	40	KICB	
COc1cc(C=C2C(=O)NC(=O)NC2=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409089004	IBGPQDLHVNVDCQ-UHFFFAOYSA-N	500.132	4.093	10	40	KICB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409095608	DDBCYDZJXAOGFS-ITNPZBTBSA-N	628.751	4.227	10	40	KICB	
COc1cc([C@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c(O)nc3ccccn3c2=O)ccc1OCc1ccccc1	108448927	SHZQXCLLKGJJEF-DEOSSOPVSA-N	581.625	4.280	10	40	KICB	biogenic
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1cccs1	208365966	BNXTZRMGIOZPQP-IGSWSUAKSA-N	521.639	4.406	10	40	KICB	
CCN(CC)c1ccc(CNC(=O)[C@H]2CN(S(=O)(=O)c3ccc(C)cc3)c3cc(C)ccc3O2)cc1	222738830	IZBSHNIVVDIGMI-HHHXNRCGSA-N	507.656	4.422	10	40	KICB	
Cc1cc(N2C(=O)NC(=O)/C(=C\Nc3ccc(C)c(CN4C(=O)c5ccccc5C4=O)c3)C2=O)ccc1Br	408526447	BJTALPJXUGSZCW-LPYMAVHISA-N	573.403	4.441	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)O	409046638	KUFFZJKIVQISQD-LFYBBSHMSA-N	513.717	4.175	10	40	KICB	
CCOc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc1OCC	409174265	URANHWLUIWCZFF-GXDHUFHOSA-N	505.390	4.086	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1	409230081	WZBNYRQQWZMORN-ODLFYWEKSA-N	565.467	4.460	10	40	KICB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCc1ccc(F)cc1	409404029	BMBBGXPSEYFUSE-ODLFYWEKSA-N	544.320	4.479	10	40	KICB	
CCOc1ccc([C@@H](c2sc3nc(C)nn3c2O)N2CCN(c3ccc(OC)cc3)CC2)cc1OC	22627342	LICFXDFIZVXHDV-QHCPKHFHSA-N	509.632	4.132	10	40	KICB	
CC(C)C(=O)N[C@@H](Oc1ccc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc1)C(Cl)(Cl)Cl	97947595	QXOARTSOSHWIES-GQPJMJRUSA-N	525.863	4.210	10	40	KICB	
COc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=S)ccc1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1	97981087	NTZQVIHZVCBYKD-UCQKPKSFSA-N	569.686	4.397	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	408901631	ZHNZPSUHFDUPDP-RGVLZGJSSA-N	537.931	4.480	10	40	KICB	
NC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Br	409219773	QCNHZYJLVDMCOW-XCVCLJGOSA-N	592.027	4.049	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1C	409265043	NKMDHSQNTUGCKG-ODLFYWEKSA-N	580.391	4.156	10	40	KICB	
Cc1ccc(S(=O)(=O)c2nc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)oc2N2CCOCC2)cc1	1899499	YTXXYKFSNBPICT-FXBPSFAMSA-N	555.703	4.096	10	40	KICB	
CCOC(=O)CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)OCC)C2=O)SC1=S	6546086	AIQSYNLAAPIPBY-ISLYRVAYSA-N	546.758	4.166	10	40	KICB	
COC(=O)c1c(C)sc(C(C(=O)c2ccc3c(c2)OCCO3)c2sc(C)c(C(=O)OC)c2O)c1O	12372123	FMEBSGZBEFTSPP-UHFFFAOYSA-N	518.565	4.197	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCCOc1ccccc1Cl	13689528	NPSHRZSLZGVCTJ-RGEXLXHISA-N	510.930	4.452	10	40	KICB	
O=C1c2cnc3ncnn3c2[C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H](c3cccc(Cl)c3)[C@H]2N1Cc1ccccc1	97965937	OEGVVYYJFPDBND-SKBVVQJISA-N	561.985	4.475	10	40	KICB	
COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)c2C)cc1	103593279	QMNGQNVCVDVYGW-PAMLCIOASA-N	504.616	4.125	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OC(C)C	408814484	RLHBGVIRFJLJKI-VIZOYTHASA-N	540.741	4.407	10	40	KICB	
CC[C@H](C)Oc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OC	408951126	LNKDIJOBNKJUIJ-QNKXHIPISA-N	517.332	4.030	10	40	KICB	
O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1	409076576	ASMMGVGYKGZJHO-CXUHLZMHSA-N	569.280	4.430	10	40	KICB	
CN1CCN(C(=O)CN2CCC(Cc3ccccc3)CC2)CCOc2ccc(N3CCOCC3)cc2Cc2cccc(c2)C1=O	643568232	RQEZAHPJFLAHGL-UHFFFAOYSA-N	610.799	4.362	10	40	KICB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	111470627	PTIGSHLUUQWACS-JQTKYWOZSA-N	569.683	4.019	10	40	KICB	
Cc1cc(N2C(=O)NC(=O)/C(=C/c3cc(Br)cc(I)c3O)C2=O)ccc1Br	408753490	MZZUBFFIMXSTBT-SDQBBNPISA-N	606.008	4.497	10	40	KICB	
O=C(O)COc1ccc(Br)cc1/C=C1/SC(=S)N(NC(=O)C23CC4CC(CC(C4)C2)C3)C1=O	409162200	TVQVDKGWAGSRPB-CNHKJKLMSA-N	551.484	4.361	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409267486	VYCLGOIPEOPAQY-MTJSOVHGSA-N	549.967	4.437	10	40	KICB	
Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2[C@@H](c3ccccc3O)N2C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1	33354925	JBKRFBGYALAVAK-PBUINREYSA-N	631.623	4.005	10	40	KICB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(I)c1OCc1cccc2ccccc12	108255008	PIWLVIZILNAQRY-UHFFFAOYSA-N	558.397	4.336	10	40	KICB	
C[C@H](NS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1)c1ccc(N2CCCCC2)cc1	224406373	UHDXOPGMSRVMJZ-HNNXBMFYSA-N	506.053	4.474	10	40	KICB	
CCOc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)cc1OC	408901425	XXXVSYCEBDLLRL-ZSOIEALJSA-N	585.192	4.436	10	40	KICB	
CCOc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OC(C)=O	409147318	YKDWOBZUGUCCLJ-UFFVCSGVSA-N	500.642	4.459	10	40	KICB	
CCOC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc1OCC	409375431	KQNXNAQAPZKGKY-WOJGMQOQSA-N	608.454	4.026	10	40	KICB	
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1OCc1ccc(C)cc1	59139793	HQOSTDIZZYOGKX-UHFFFAOYSA-N	503.418	4.334	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1	408695680	XJGCSMHVSUTNTE-XDHOZWIPSA-N	556.413	4.270	10	40	KICB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\NC(=O)N(CC(=O)Nc4ccccc4C)C3=O)c2C)c1	408965508	IDOIGKLILSVSEU-IWIPYMOSSA-N	500.555	4.111	10	40	KICB	
Cc1ccc(C(=O)NN2C(=O)/C(=C\c3cc(Br)ccc3OCC(=O)O)SC2=S)c(Cl)c1	409144670	ZMQPMOIOXRFMIW-LZYBPNLTSA-N	541.832	4.421	10	40	KICB	
COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1COc1ccc(NC(C)=O)cc1	13774927	ANEDEYRFKWSMFE-IWIPYMOSSA-N	515.591	4.372	10	40	KICB	
COc1cc([C@@H](c2cc3c(cc2O)OCO3)N2CCN([C@@H](c3ccc(O)c(OC)c3)c3cc4c(cc3O)OCO4)CC2)ccc1O	22859564	JNDFMQZGQIMBNM-HEVIKAOCSA-N	630.650	4.480	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)ccc1OC(=O)c1cccc(C)c1	408528457	BILQIFZKTMLOSV-DEDYPNTBSA-N	582.350	4.494	10	40	KICB	
Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1/C=C1\C(=O)NC(=O)N(c2ccc(Br)c(C)c2C)C1=O	408758247	XGUUFGDZLCXEIT-YBFXNURJSA-N	538.358	4.443	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(Br)c(Br)c1O	408899625	PMRSSXFFFVUSKQ-IZZDOVSWSA-N	575.007	4.355	10	40	KICB	
COC(=O)c1cccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)o2)c1C	408902857	MJIPQBJIFWKTFQ-XDHOZWIPSA-N	509.312	4.471	10	40	KICB	
CCOc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1OCC	409102795	UDOIFANWRCHEKT-OQLLNIDSSA-N	535.416	4.095	10	40	KICB	
Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2)cc1Cl	409266412	WPALTZUXBUDGEQ-BKUYFWCQSA-N	505.983	4.497	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc(I)c1OCc1ccccc1	409338235	GGKOZSBOPQHYOH-SXGWCWSVSA-N	541.388	4.165	10	40	KICB	
CCN(CC)C(=O)Cn1cc(/C=C2\C(=O)N(CC)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c2cc(Br)ccc21	8778060	FAGYSCZHIBSDQX-MYYYXRDXSA-N	629.577	4.200	10	40	KICB	
CCOCCCN1C(=O)/C(=C\c2c(N3C[C@@H](C)C[C@@H](C)C3)nc3c(C)cccn3c2=O)SC1=S	13619092	RPLZPJKRIIZKMS-UQEILIANSA-N	500.690	4.113	10	40	KICB	
O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1Br)Nc1ccc(F)cc1	408694794	MQMCPFQMQKRLOG-WOJGMQOQSA-N	530.350	4.010	10	40	KICB	
CNc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1I	408741779	NTSKCWJQJVOIPK-NTUHNPAUSA-N	603.223	4.077	10	40	KICB	
CCCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OC	408771173	DEYDUGICALSYGI-MHWRWJLKSA-N	520.323	4.063	10	40	KICB	
COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1	408877941	YNTATYYCBVRAFV-OYKKKHCWSA-N	501.514	4.111	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)cc1	409087542	BMIDRPWQMZLHDB-MOSHPQCFSA-N	518.438	4.360	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(Cl)cc4)cc3)C2=O)cc1	409227238	UPNHNMICKSQNRZ-HYARGMPZSA-N	505.914	4.033	10	40	KICB	
CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	33355293	OPTJAKIZORNOMU-WQRHYEAKSA-N	531.344	4.071	10	40	KICB	
O=C1NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C(=O)/C1=C\c1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408534836	MQCXHTIXYVTUAZ-CFQHDYFCSA-N	554.353	4.227	10	40	KICB	
O=C1NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C(=O)/C1=C\c1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408534838	MQCXHTIXYVTUAZ-PZWYFANTSA-N	554.353	4.227	10	40	KICB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5ccc(C(=O)OC)cc5)c4C)c(=O)n32)cc1OCC	408933687	KBDOZYVNKXXZNP-UDFIABOWSA-N	615.708	4.010	10	40	KICB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C(=O)O)cc4)cc3)C2=O)cc1OC	409124358	BHWGWFQAQKLOGT-BUVRLJJBSA-N	544.560	4.423	10	40	KICB	
O=C(O)CCCCCN1C(=O)/C(=C/c2c(N3CCc4ccccc4C3)nc3ccccn3c2=O)SC1=S	2345648	RSFLQMLIWNFVFR-PGMHBOJBSA-N	534.663	4.103	10	40	KICB	
Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)C1=O	8400800	KTRZOVZSLZJYRT-LPYMAVHISA-N	538.651	4.033	10	40	KICB	
COc1cccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(c5ccncc5)SC4=NC3=O)cc2OC)c1	97964290	XAHRBQGCNLDPCQ-WTPQPOPRSA-N	529.578	4.224	10	40	KICB	
CCOc1cc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)ccc1OCC(=O)Nc1ccccc1C(=O)OC	101573025	SQIPLCGZRJNYLX-HZHRSRAPSA-N	557.559	4.394	10	40	KICB	
O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(Cl)cc(Br)c1O	101748349	IQBCBPOXIHSKBC-XGICHPGQSA-N	516.598	4.402	10	40	KICB	
COc1cc(C(=O)Oc2ccc(Br)cc2/C=C2/C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc(OC)c1OC	408533778	KSIBVRIFRNNSSW-GWTSTZHPSA-N	599.434	4.345	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1	408903611	ULQWMBVQGAEEDR-UDWIEESQSA-N	568.355	4.281	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1	409041472	JPLJMZHXBCIQOT-HYARGMPZSA-N	517.513	4.217	10	40	KICB	
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(N5CCCCC5)cc4)c(=O)n32)cc1	409060109	STZLQUNBUQHBSR-NTWBUQQASA-N	531.678	4.186	10	40	KICB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3cc(C(=O)OC)ccc3C)c2C)C1=O	409247077	BQDFZLKTXBBVPJ-KGENOOAVSA-N	501.539	4.254	10	40	KICB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c1C	409252391	XNYLZFFKKLBYSB-GZTJUZNOSA-N	510.959	4.496	10	40	KICB	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OCc1ccccc1	101396094	ZOTCFGZKKWJYFB-ZKZDLDBDSA-N	526.640	4.312	10	40	KICB	
Cc1ccc(OCCOc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)cc2)cc1C	101396410	UNRKXKGXMGAGEC-TUKHXMGSSA-N	526.640	4.161	10	40	KICB	
CC(=O)N(C(=O)CC(=O)N1N=C(c2ccccc2)[C@@H](/N=N/c2ccccc2[N+](=O)[O-])C1=O)c1ccc(Cl)cc1	102941171	NOCFURHLBZOEFG-QZBXLYOJSA-N	546.927	4.443	10	40	KICB	
Cc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccccc3)C2=O)c(C)n1-c1sc2c(c1C(=O)O)CCCC2	409385380	KCMGCWOSJCQQRT-MOSHPQCFSA-N	518.595	4.264	10	40	KICB	
COc1ccc(N2CCOCC2)cc1C(=O)N1CCN(Cc2ccccc2)CCCNc2ccccc2C1	643553952	HCDYUHPZEYFEAO-UHFFFAOYSA-N	514.670	4.492	10	40	KICB	
CCOc1ccc(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1	13646867	FVKPKPBOYDVQSE-UHFFFAOYSA-N	511.619	4.336	10	40	KICB	
CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccccc4Cl)c(Cl)c3)C(=O)N=C2S1	97964423	SPVNCKWGPBUDAP-JALZURGUSA-N	539.422	4.072	10	40	KICB	
COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)C2=O)cc1OC	101005692	WBYAPUHUZDAUBC-UYRXBGFRSA-N	545.708	4.363	10	40	KICB	
COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)cc1	101007129	KYKRFMVYCGHPIO-MOSHPQCFSA-N	529.596	4.487	10	40	KICB	
Cc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)cc2)c(C)c1	101123965	SFRXQWOURZAZKM-UAJGQANVSA-N	531.638	4.393	10	40	KICB	
COC(=O)C[C@H](c1cc2ccc(OC)cc2n(C)c1=O)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12	108448090	TYCOEQFOQHAEHX-GOSISDBHSA-N	543.528	4.132	10	40	KICB	biogenic
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4C)C3=O)cc2Cl)cc1	408878924	BTGLFPJZOCXMRD-CPNJWEJPSA-N	510.955	4.391	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4F)c(OC)c3)C2=O)cc1	408886356	KGQPGETXSSHSTP-KGENOOAVSA-N	518.497	4.256	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OC(C)=O	408983067	KBDWNIXFCFXRDD-NSIKDUERSA-N	507.724	4.011	10	40	KICB	
Cc1cc(C(=O)COC(=O)CNS(=O)(=O)/C=C/c2ccccc2)c(C)n1-c1ccc(OC(F)F)cc1	13101101	UBQUARBUDBGAQA-OUKQBFOZSA-N	518.538	4.012	10	40	KICB	
Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1	409020026	LNUWWVAQFVGUKK-UQQQWYQISA-N	545.621	4.387	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	409147736	YVEOQYVWTFEMNL-QTTRZTASSA-N	630.752	4.331	10	40	KICB	
CCOc1cccc(N2C(=O)/C(=C/c3cccc(OC)c3OCc3ccc(C(=O)O)cc3)C(=O)NC2=S)c1	409184351	KQQVBMROQBCLBS-HYARGMPZSA-N	532.574	4.202	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409372593	MFOQOJIRPBRXGT-GIJQJNRQSA-N	603.325	4.042	10	40	KICB	
COc1ccc2c3c(n(C[C@H]4c5c(cc6c(c5OC)OCO6)CCN4C)c(=O)c2c1OC)-c1ccccc1C3=O	604405063	VFXLONQHIZUXRW-FQEVSTJZSA-N	540.572	4.197	10	40	KICB	biogenic
COc1ccc(N2CCN([C@H](c3cccc(Br)c3)c3sc4nc(C)nn4c3O)CC2)cc1	22627290	SEJAAQDCDKMXKG-HXUWFJFHSA-N	514.449	4.488	10	40	KICB	
COC(=O)C[C@@H](c1ccc(OC)c(OC)c1OC)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12	96221401	XVBHJHSLASYAHQ-INIZCTEOSA-N	522.506	4.298	10	40	KICB	biogenic
CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)CC1	97947707	LYYNDXJQTXRAFL-WDUNQMNWSA-N	563.705	4.244	10	40	KICB	
COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1	409011644	GXRGLYMSCQMKPP-BUVRLJJBSA-N	519.598	4.157	10	40	KICB	
O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12	409195021	QSNPMIDRAYNPST-LPYMAVHISA-N	526.530	4.127	10	40	KICB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2cccc(C(=O)O)c2)c(I)c1	409398847	DQQUSNUIVQJXIZ-UNOMPAQXSA-N	540.313	4.030	10	40	KICB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3c(C)n(CC(=O)Nc4ccccc4)c4ccccc34)C2=O)o1	409402567	WTWVOFKVEDANGL-HMAPJEAMSA-N	512.522	4.061	10	40	KICB	
CC(=O)N1CC[C@H]2CC[C@@H](CN(Cc3cccc(C(C)(C)C)c3O)Cc3ccccc31)N2S(C)(=O)=O	2037949679	OPKXORCVGCASDB-RPWUZVMVSA-N	513.704	4.241	10	40	KICB	
O=C1/C(=C/c2c(NC[C@@H]3CCCO3)nc3ccccn3c2=O)SC(=S)N1CCCc1ccccc1	9360170	HMXMTTCZJKRXIG-JIVYGXRASA-N	506.653	4.119	10	40	KICB	
CCOc1cc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)ccc1OCCc1ccccc1	96193315	SZAXYZBBLYPNSS-ULJHMMPZSA-N	505.596	4.160	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(C(=O)O)cc1	100201535	XAXGLXSELQVVIG-JAIQZWGSSA-N	522.966	4.457	10	40	KICB	
CC[C@@H](C)c1ccccc1OCCOc1ccc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1	101394171	XFYJHDQYOWKWID-CLBQIIJWSA-N	526.640	4.279	10	40	KICB	
COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1	408785764	YZQKRIMNEMZCEX-SYQPQHDQSA-N	518.610	4.361	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1	408845551	HRORZQNZUKHHGQ-GZTJUZNOSA-N	507.499	4.153	10	40	KICB	
O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(I)cc1	408849304	WAEJIASZIATQLK-DHZHZOJOSA-N	503.148	4.429	10	40	KICB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(SCC(=O)Nc4ccccc4)c([N+](=O)[O-])c3)C2=O)cc1	408992010	PXOZLXWUKHPGDI-DEDYPNTBSA-N	516.535	4.300	10	40	KICB	
COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1	409019525	ZOZDKMWSPDZULJ-ZVHZXABRSA-N	531.540	4.168	10	40	KICB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409083036	KKQCJVXVQCPQLT-UHFFFAOYSA-N	607.304	4.324	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1	409225135	OUGXGHHQRFBHSP-KGENOOAVSA-N	505.914	4.033	10	40	KICB	
CCOc1ccc(-n2c(C)cc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC(C)C)c2C)cc1	20207160	DUCPYJOXDPQXGJ-YHRCQRQKSA-N	513.645	4.140	10	40	KICB	
CC[C@H](C)c1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(CC(=O)N5CCOCC5)SC4=NC3=O)c2C)cc1	101127680	OZFZFOVRZJHEEP-WIHNTMTLSA-N	532.670	4.476	10	40	KICB	
CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)c2cnc(nc2C4=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C	263593991	BXIOFXWHZIWPCX-QOUNLNLTSA-N	704.773	4.274	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4C)c(Br)c3)C2=O)cc1	409255829	JAZKGYHLBKECQO-MOSHPQCFSA-N	592.402	4.228	10	40	KICB	
NS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)/C(=C/c3ccc(OCc4ccccc4)cc3)C2=O)cc1	15945259	AVFOSCKNODICTN-STZFKDTASA-N	501.486	4.262	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)c(C(=O)O)c4)c3C)C2=O)c(OC)c1	101682904	SODPEFMTCVSFJC-VXLYETTFSA-N	523.929	4.129	10	40	KICB	
CCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OCC	408805169	JCLGXTMEVODWMX-CXUHLZMHSA-N	518.320	4.211	10	40	KICB	
CCOc1c(I)cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc1OC	409124928	CGSALUNKKPHBHS-WJDWOHSUSA-N	508.337	4.099	10	40	KICB	
COC(=O)COc1cc(Br)c(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1OC	409142037	PPJHYSDXGQPLBS-IFRROFPPSA-N	595.537	4.458	10	40	KICB	
CCOc1ccccc1N(CC(=O)N1CCN(c2ccc(OC)cc2)CC1)S(=O)(=O)c1ccc(Cl)cc1	409171832	BMKJLKVSKBGOJF-UHFFFAOYSA-N	544.073	4.291	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1ccc(F)cc1	409373430	SJSCVYKEVJDQAW-GIJQJNRQSA-N	529.318	4.431	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F	409383540	ZSDNKEGFTLWEFJ-ZDLGFXPLSA-N	582.928	4.470	10	40	KICB	
CC[C@H](C)N1C(=O)/C(=C/c2c(N3CCN(c4ccccc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	1450278	FEUPFGARLUACBZ-ODENVGOISA-N	519.696	4.329	10	40	KICB	
COc1ccc(N2CCN(c3cc(N4CCN(C(=O)c5ccc(F)cc5)CC4)ccc3[N+](=O)[O-])CC2)cc1	9720322	VWIVJKUVVFZYRW-UHFFFAOYSA-N	519.577	4.032	10	40	KICB	
O=C(O)c1cccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCN(c5ccccc5)CC4)C3=O)o2)c1	13881075	SYVRCXMNSMZPFZ-XQNSMLJCSA-N	517.563	4.030	10	40	KICB	
CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN(C)CCO)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C	263605847	QFLPZXIHCBNNDG-VFFJYTSKSA-N	784.900	4.178	10	40	KICB	
Cc1cc(N2C(=O)NC(=O)/C(=C\Nc3ncc(Br)cc3Br)C2=O)ccc1Br	408535530	TVCAJCIMKAFPQP-YRNVUSSQSA-N	559.012	4.256	10	40	KICB	
COC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@H]1c1cc(Cl)ccc1OC	408949014	RVGOIIIOMNTPDK-ZFWDJNJRSA-N	592.073	4.176	10	40	KICB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c1C	409134219	OCZFGFZUQZRXHB-UDWIEESQSA-N	504.568	4.459	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	409041961	LNBQXQCXDYRTEJ-RGVLZGJSSA-N	535.940	4.047	10	40	KICB	
O=C(Cn1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c2ccccc21)NC[C@@H]1CCCO1	409127135	BYYAQQKEVROSGA-UCHNXLLDSA-N	505.665	4.380	10	40	KICB	
CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1	205911960	RIGUBQUWCWMNGD-ZVHZXABRSA-N	581.651	4.117	10	40	KICB	
O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1	408816018	QPSQFILQXVBBCM-RGVLZGJSSA-N	522.857	4.402	10	40	KICB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCOCC4)cc3)c(=O)n2[C@H]1c1ccc(SC)cc1	409057049	GNQROSOCILPVIL-NJGZBDCRSA-N	597.762	4.494	10	40	KICB	
Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2Br)cc1	409220054	XTKQSVSHWHYMOG-RGVLZGJSSA-N	579.363	4.350	10	40	KICB	
C[C@@H]1CCCN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N(C)C)c3)S2)C1	2419406	HYKQMXKPAACTDH-VKINRBECSA-N	535.695	4.492	10	40	KICB	
Cc1ccc(C2=NN3C(=N)/C(=C\c4ccccc4OS(=O)(=O)c4ccccc4)C(=O)N=C3S2)cc1	8951864	CNFLMLZLRFZTDM-UQIALHJZSA-N	502.577	4.430	10	40	KICB	
COc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4Cl)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c(OC)c1	100635001	ZRWHLENYRZNAOF-XPWALMASSA-N	517.921	4.052	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1	408796614	AVMBGVHVBWTNTN-PXLXIMEGSA-N	515.478	4.017	10	40	KICB	
O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Br)Nc1ccccc1	409058753	SWEYUAAEFCRJNA-XDHOZWIPSA-N	565.336	4.041	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC	409060093	SNTOESMBGRNUAT-RISWYLRJSA-N	552.096	4.369	10	40	KICB	
COC(=O)COc1ccc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Br	409346776	NYWKPNRPJGIKEO-PXNMLYILSA-N	509.359	4.315	10	40	KICB	
COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1OCc1cccc(C(=O)O)c1	32193772	IZPKLWGQHWFMGO-DEDYPNTBSA-N	506.898	4.292	10	40	KICB	
COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2OC)cc1	58903816	FOQAOVMUQIFVOC-JCMHNJIXSA-N	502.523	4.179	10	40	KICB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)c(Cl)c1	409073679	RCGWUWSQTZEJBV-LDADJPATSA-N	517.346	4.428	10	40	KICB	
Cc1c(C(=O)O)cccc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)o1	409161666	OPKUTRBYKHCTTK-IWIPYMOSSA-N	547.589	4.465	10	40	KICB	
COc1ccccc1NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC	409385772	KDCBQESDUIGSLO-CPNJWEJPSA-N	580.391	4.150	10	40	KICB	
COc1ccc(-n2c(C)cc(C(=O)COC(=O)/C=C/c3c(C)nn([C@H]4CCS(=O)(=O)C4)c3Cl)c2C)cc1	3364724	ZDLWUBFECMQTPJ-XTXLJPNXSA-N	546.045	4.060	10	40	KICB	
O=C1C[C@H](c2ccc(O)cc2)Oc2c1c(O)cc(O)c2[C@@H]1C(=O)c2c(O)cc(O)cc2O[C@H]1c1ccc(O)c(O)c1	38143741	BTRRHXATSDHYNW-XRHWURSXSA-N	558.495	4.433	10	40	KICB	biogenic,in-vitro
CCC1=NN2C(=N)/C(=C\c3cc(I)c(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C(=O)N=C2S1	100267206	HZWGZPGNCZFSSM-FWDDTQSRSA-N	610.455	4.405	10	40	KICB	
COc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1N/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O	408534769	RBTQXUFFMYAJPF-NBVRZTHBSA-N	540.985	4.037	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OC(=O)c1ccccc1I	408727204	PFIFBFKKICOSQJ-YBEGLDIGSA-N	511.362	4.350	10	40	KICB	
CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1OC	408740487	GLBWYHVFCMZAET-VGOFMYFVSA-N	524.165	4.285	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1	408859396	WVQKAJJEZCGTSB-WHNPURCTSA-N	533.694	4.432	10	40	KICB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5cccc(C(=O)OC)c5)c4C)c(=O)n32)cc1OCC	408934735	MHMZOYXOFWYXLT-UDFIABOWSA-N	615.708	4.010	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OCC(=O)OC	408984857	TVORZIGQQYROAG-CHHVJCJISA-N	551.777	4.028	10	40	KICB	
Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1	409043724	ADJWZFJFXZJSIE-FYJGNVAPSA-N	507.905	4.471	10	40	KICB	
Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1	409060153	XWYCVKKQHACQFM-FYJGNVAPSA-N	505.914	4.038	10	40	KICB	
CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)N(CC(=O)OC)C2=S)cc1	409140871	SYOWJXRXEFLIIE-USHMODERSA-N	574.703	4.477	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	409249413	IAYRQEMORUUQFI-ZDLGFXPLSA-N	540.541	4.407	10	40	KICB	
COC(=O)c1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)cc1	13025079	SLXFNJCIHKHEKS-HHHXNRCGSA-N	531.609	4.350	10	40	KICB	
CN(C)c1ccc(/N=N/c2ccccc2C(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)cc1	13523422	CCYOGBMCPRPJMC-QVIHXGFCSA-N	503.515	4.444	10	40	KICB	
COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1	97960493	SKZMPXVAWRRKRK-OEAKJJBVSA-N	542.997	4.297	10	40	KICB	
CCOc1c(Br)cc(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc1Br	408753105	LKEDMFSPRYBWPO-ZSOIEALJSA-N	540.233	4.450	10	40	KICB	
CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c2=O)=N1	409046932	SKUKRNJZKVURKZ-ZGOFBEGVSA-N	671.570	4.094	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C	409252521	CDAGKIRBJSHDIZ-XKZIYDEJSA-N	558.547	4.294	10	40	KICB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c([N+](=O)[O-])c1	409399260	HFXCZDBBCFPTSS-ZDLGFXPLSA-N	538.310	4.096	10	40	KICB	
COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(CN4C(=O)c5ccccc5C4=O)c3)C(O)=NC2=S)cc1	2286615	INTKOVBIRKRGRJ-HYARGMPZSA-N	527.558	4.172	10	40	KICB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2Br)C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1	8382394	MPKFPYYFFKYHDD-VPFVTSKHSA-N	561.480	4.094	10	40	KICB	biogenic,in-vitro
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1	58825333	GOTZKQFYTIRFHJ-CSJROMOCSA-N	527.646	4.214	10	40	KICB	
CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1	112299961	CMGABGCPBYXTTK-BKUYFWCQSA-N	500.943	4.179	10	40	KICB	
O=S(=O)(O)c1cc(O)c2c(N=Nc3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(N=Nc5c(S(=O)(=O)O)cc6cc(S(=O)(=O)O)cc(O)c6c5O)c4c3O)cc(S(=O)(=O)O)cc2c1	263597571	GXXWRHRRUAJSPK-UHFFFAOYSA-N	980.898	4.280	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	408808001	IQZABHZQWOVUDO-HYARGMPZSA-N	517.494	4.248	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408855111	DLOLEXDRKXDIJN-QGMBQPNBSA-N	643.346	4.182	10	40	KICB	
CC[C@H](C)Oc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OC	408899753	QFLUTVPOZNEGHL-FBJMNJBLSA-N	534.350	4.452	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1	408903037	OFDZIQSFWVDIAV-YBFXNURJSA-N	523.904	4.172	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	408991771	YNIZECGXFIYWOZ-MIUGUJGPSA-N	615.708	4.010	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC	409060092	SNTOESMBGRNUAT-LMSRTUJASA-N	552.096	4.369	10	40	KICB	
CCOC(=O)c1cc(C(=O)OCC)cc(-n2c(C)cc(C(=O)CSc3nnnn3-c3ccccc3)c2C)c1	2888977	OJNPIFRKKATXLB-UHFFFAOYSA-N	533.610	4.398	10	40	KICB	
C/C(NCCCCN[C@H](C)[C@@H]1N=C(c2ccc(Cl)cc2)OC1=O)=C1\N=C(c2ccc(Cl)cc2)OC1=O	97944452	IPFLJLUJCGYYEL-FLWSCSCYSA-N	529.424	4.248	10	40	KICB	
CCCN1C(=O)/C(=c2/s/c(=C3\C=Cc4ccccc4N3CC)c(=O)n2-c2ccc(C)cc2)SC1=S	100098218	RMDKBBWZOGSBSZ-LTTYQNBASA-N	519.717	4.247	10	40	KICB	
COC(=O)COc1c(I)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1I	408902649	PFJNZOINXMOXOO-OVCLIPMQSA-N	602.166	4.254	10	40	KICB	
Cc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1	408963980	AXRPKFRYEVTNIZ-UHFFFAOYSA-N	540.601	4.325	10	40	KICB	
Cc1ccccc1NC(=O)COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-]	409399868	OEXWSNKEVKDHJJ-UNOMPAQXSA-N	551.353	4.145	10	40	KICB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCc1ccc(C(=O)O)cc1	409407988	OJISLKNRIDTHPI-ODLFYWEKSA-N	570.339	4.038	10	40	KICB	
CCN1C(=O)/C(=C2\SC(=S)N(CC(=O)OC3CCCCC3)C2=O)c2cc(Br)ccc21	1239016	SLIBKRFCHZSVTI-ZCXUNETKSA-N	509.447	4.263	10	40	KICB	
O=C(O)CCCCCN1C(=O)/C(=C/c2c(NCCc3ccccc3)nc3ccccn3c2=O)SC1=S	9122087	AVWDZTAIFWKUBZ-JZJYNLBNSA-N	522.652	4.195	10	40	KICB	
COc1ccc(CN2C(=O)/C(=C/c3c(NC[C@H]4CCCO4)nc4ccc(C)cn4c3=O)SC2=S)cc1	16734609	SYVKXEWJRLUBFL-GFIJVFARSA-N	522.652	4.004	10	40	KICB	
COc1ccc(-c2coc3c(CN4CCN(Cc5ccc6c(c5)OCO6)CC4)c(O)ccc3c2=O)cc1	41585065	URLHMNKQUXVUKM-UHFFFAOYSA-N	500.551	4.221	10	40	KICB	biogenic
CCOc1cc(/C=C2\SC(=S)NC2=O)cc(I)c1OC(=O)c1ccc(OC)cc1	408887855	RQDKQWIOHUBBEP-YBEGLDIGSA-N	541.388	4.407	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1	409047170	NHOCZEBKLKSZND-FYJGNVAPSA-N	577.977	4.209	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OS(=O)(=O)c3ccccc3)C2=O)cc1	409069083	CACFGKFKPREAQZ-RCCKNPSSSA-N	571.405	4.282	10	40	KICB	
Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2I)cc1	409400503	RZPHBBFVMASYCJ-MOSHPQCFSA-N	553.356	4.079	10	40	KICB	
CC[C@@H](C)N1C(=O)/C(=C\c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC1=S	9461988	DCDRBUZSDHWAAY-GFXBCDTMSA-N	523.659	4.160	10	40	KICB	
CCOc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)cc(Cl)c1OCc1ccccc1	97964731	AYHLLUSKOLBVKA-JTPDXPAISA-N	533.031	4.329	10	40	KICB	
COc1ccccc1N1C(=O)[C@@H]2[C@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O	100676734	SYMMNTVNUXJENJ-FKBYEOEOSA-N	532.346	4.153	10	40	KICB	
CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1	100970845	GHGSCWJQAYTCRD-QJOMJCCJSA-N	538.077	4.386	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1	103849814	NURVXQQDPWTJPS-VXLYETTFSA-N	524.888	4.431	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1cccs1	208366007	BNXTZRMGIOZPQP-YMSBRDKKSA-N	521.639	4.406	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCC	408782545	JZPMJUUHFLRPGI-LICLKQGHSA-N	534.350	4.372	10	40	KICB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1	408945543	WPWXDFKDEZZLHS-DEDYPNTBSA-N	586.376	4.100	10	40	KICB	
O=C(O)COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Br	409049837	XYYJMIQRRGNHBJ-UHFFFAOYSA-N	521.323	4.496	10	40	KICB	
COc1ccc2c3c(n(Cc4c5c(c(OC)c6c4OCO6)CN(C)CC5)c(=O)c2c1OC)-c1ccccc1C3=O	604404217	LQXNGLBDCKKBPL-UHFFFAOYSA-N	540.572	4.004	10	40	KICB	biogenic
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1ccc(Br)cc1	2185163	NPYFYZYMBUDPHU-IGSWSUAKSA-N	570.509	4.113	10	40	KICB	
C[C@@H]1CN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)C[C@@H](C)O1	8827830	BRZMSSACCZRKAM-HXIHYFNGSA-N	520.680	4.142	10	40	KICB	
COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccc(N4CCCCC4)cc3)cc2)cc1OC	13673037	DSPXMXBJDHJLKH-UHFFFAOYSA-N	523.655	4.449	10	40	KICB	
O=C(O)CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)SC1=S	13943799	FBGWFENTOJKARQ-YVLHZVERSA-N	510.515	4.399	10	40	KICB	
O=C1/C(=C/c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1	97947609	VZBYCDZEWSBFOO-JWGURIENSA-N	547.637	4.155	10	40	KICB	
CCOc1ccccc1N(CC(=O)NCc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1	113625814	BKPCFLZMNIMEJE-UHFFFAOYSA-N	544.073	4.087	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC	220813604	WALFGCBSDQHRGO-LCQSEVKBSA-N	557.672	4.223	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1O	408892485	BWLSDEXPNGKRMO-YBFXNURJSA-N	570.339	4.251	10	40	KICB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(Br)cc1F	408955207	TYXBSOBOPMTBCK-CAOOACKPSA-N	526.318	4.391	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1	409047595	OUZINGFYFRNQAB-UDWIEESQSA-N	611.392	4.292	10	40	KICB	
O=C(COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1)Nc1ccccc1F	409380392	MGSYEPBOFIHPCY-CPNJWEJPSA-N	538.329	4.272	10	40	KICB	
COc1cc(/C=C2/C(=O)N(c3cccc(C(=O)O)c3)N=C2C)c(Br)c(Br)c1O	8456972	XYTFISFUQOCNLV-NTUHNPAUSA-N	510.138	4.430	10	40	KICB	
Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3ccc(N4CCCCC4)cc3)Oc3ccccc32)cc1	10113211	GRIONHOSWWJWAP-HHHXNRCGSA-N	505.640	4.258	10	40	KICB	
CCN(CC)c1ccc(CNC(=O)[C@H]2CN(S(=O)(=O)c3ccc(OC)cc3)c3cc(Cl)ccc3O2)cc1	222746900	GDVKVTNSCYDXCS-AREMUKBSSA-N	544.073	4.468	10	40	KICB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Sc4nnnn4-c4ccccc4)c([N+](=O)[O-])c3)C2=O)cc1C	408988179	CZXHLRWOCNXJQK-DEDYPNTBSA-N	541.549	4.005	10	40	KICB	
CCOC(=O)c1c(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccnc4)C3=O)c2C)sc2c1CCCC2	409245097	NJBLMYCYTBDOTM-DEDYPNTBSA-N	518.595	4.273	10	40	KICB	
CCOc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1O[C@@H](C)c1ccccc1	41083984	OUECNPFFKXDSID-OJNZYWOCSA-N	512.613	4.237	10	40	KICB	
O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	102929474	NZSGZEDSCFJXII-UHFFFAOYSA-N	524.982	4.248	10	40	KICB	
CC1CCN(c2ccc([C@@H](C)NC(=O)CCCN(c3ccc4c(c3)OCCO4)S(C)(=O)=O)cc2)CC1	223350950	DLNOHTHHBJESRA-OAQYLSRUSA-N	515.676	4.118	10	40	KICB	
O=S(=O)(O)c1ccccc1N=Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3ccccc3S(=O)(=O)O)c(O)c2c1O	254797509	ILROUJLNAZOVJV-UHFFFAOYSA-N	688.652	4.069	10	40	KICB	
COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)C1=O	409231130	HSZDASLZGKNOHH-UDWIEESQSA-N	508.962	4.296	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1C	409255098	GEOIYOYTNANNQT-UNOMPAQXSA-N	519.941	4.341	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F	409381810	WJLVUGKUPPEZEI-LICLKQGHSA-N	541.894	4.311	10	40	KICB	
COc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1	409383674	ZMABHTHJJRDUOC-STZFKDTASA-N	505.914	4.033	10	40	KICB	
O=C(COc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-])Nc1ccc(Cl)cc1	409401513	YUYXFTJVYCUONL-ZDLGFXPLSA-N	571.771	4.490	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(N3C(=O)c4ccccc4C3=O)C2=O)ccc1OCC(=O)Nc1ccccc1	100360013	NLDYZPIXUYLKCR-HMAPJEAMSA-N	545.598	4.125	10	40	KICB	
CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1I	408851083	HNZVMMKWIQBOKJ-XYOKQWHBSA-N	605.237	4.371	10	40	KICB	
COC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC	408956705	ZMDTVXXQWYAQEC-NFYDWNOTSA-N	592.073	4.176	10	40	KICB	
Cc1c(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)c2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2	409356062	DUUVVCCOIVAYFE-UCQKPKSFSA-N	508.534	4.410	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCC(=O)Nc1ccccc1F	409375245	HREUOEAWVPKWBO-WOJGMQOQSA-N	537.931	4.480	10	40	KICB	
Cc1c2c(cc(=O)n1CCCN1CCOCC1)[C@H](C(=O)Nc1ccc(Br)cc1)NN(c1nc3ccccc3s1)C2=O	98042793	RFLJZELNSRQVNX-AREMUKBSSA-N	637.560	4.096	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	105501124	OVNHSLBNBAHRFV-ORVZPOCUSA-N	559.619	4.074	10	40	KICB	
COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3C)CC2)cc1	408678587	SWRIJBAQJZFELC-UHFFFAOYSA-N	530.046	4.185	10	40	KICB	
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	408956096	VZAKWAJLPAUNCL-DHDCSXOGSA-N	526.255	4.012	10	40	KICB	
COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3)c(OC)c2)SC1=S	1238551	CJYLCGKSNBVDEE-ZDLGFXPLSA-N	508.415	4.411	10	40	KICB	
CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCc2cc(=O)oc3cc(O)c(O)cc23)c1	3310506	KUZYFQJHPNJDJV-UHFFFAOYSA-N	529.954	4.035	10	40	KICB	
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(N4CCOCC4)c(Br)c3)c2C)C(O)=NC1=S	59182320	OESUKERGSVSQPC-LDADJPATSA-N	517.449	4.180	10	40	KICB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1ccc(Cl)c(Cl)c1	101394241	YVTZVDMDXYFWEF-CPIBVZOHSA-N	539.422	4.202	10	40	KICB	
CCOc1cc(/C=C2/C(=O)N(c3cccc(C(=O)O)c3)N=C2C)ccc1OCC(=O)Nc1ccccc1C(=O)OC	101575882	LMSGBXJRLYGGEI-OEAKJJBVSA-N	557.559	4.394	10	40	KICB	
O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)c(Br)o1	408950507	FUPPGQFUEIFFQD-BJMVGYQFSA-N	535.011	4.398	10	40	KICB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(OCC(=O)O)c(Br)c3)C2=O)cc1Cl	408984417	QTJIAMHMWNWDOH-QCDXTXTGSA-N	528.142	4.194	10	40	KICB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(s/c(=C/c3ccc(N4CCCC4)cc3)c2=O)=N1	409059507	RSKKJNUSZFEUGG-MYYVYBLQSA-N	520.658	4.474	10	40	KICB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC)c(OC)c3)C2=O)cc1OC	409128624	SNTKAXZDMCYYAB-LICLKQGHSA-N	547.402	4.316	10	40	KICB	
COc1ccc(N2CCN(C(=O)c3ccc(N(Cc4ccccc4Cl)S(C)(=O)=O)cc3)CC2)cc1	20060697	NQXQIROSOZPZJG-UHFFFAOYSA-N	514.047	4.277	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C4CCCCC4)C3=O)c(NCCCn3ccnc3)nc12	26458653	ZPZYDFWCUVVVFO-HMMYKYKNSA-N	508.673	4.236	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1	58825328	GOTZKQFYTIRFHJ-ABBNRAPFSA-N	527.646	4.214	10	40	KICB	
CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c1	102687174	IDEBTTYCSLNENK-ISXGRJCASA-N	525.677	4.326	10	40	KICB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N[C@@H]1c1ccc(N(C)C)cc1	409330476	AOEJXTFAWIUPFC-OBDCIHEFSA-N	628.707	4.469	10	40	KICB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409406623	KNDGZKKYMLFXHI-ODLFYWEKSA-N	524.327	4.406	10	40	KICB	
CC[C@@H](C)N1C(=O)/C(=C/c2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC1=S	20083324	PNIMWKQAUDHYEW-YQPBSLOJSA-N	519.696	4.016	10	40	KICB	
COc1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=S)N=C2O)cc(I)c1O	97968489	RMEGPUVYXQNHTJ-SDQBBNPISA-N	514.728	4.330	10	40	KICB	
COc1ccc(N2C(=O)[C@H]3[C@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1OC	100555562	WCZCDXNIWJETFO-VJBWXMMDSA-N	562.372	4.161	10	40	KICB	
CCCCCN1C(=O)/C(=C/c2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC1=S	100840326	RTVXJXLRIOUELM-NMWGTECJSA-N	533.723	4.408	10	40	KICB	
Cc1cc(C(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c(C)n1-c1cccc(C(F)(F)F)c1	102778456	GJRHGHCDZMMHPD-PWIZWCRZSA-N	504.505	4.403	10	40	KICB	
COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)cc1	223186337	NJWHQJHFLQLBES-RRPNLBNLSA-N	505.688	4.193	10	40	KICB	
O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1)Nc1ccc(F)cc1	408902545	JNFCJLKNPSABBY-FYJGNVAPSA-N	538.329	4.272	10	40	KICB	
CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(N4CCCC4)cc3)c2=O)=N1	409054478	ALJWPUUFRUEHNR-OXWVMCNISA-N	561.704	4.196	10	40	KICB	
COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C)c([N+](=O)[O-])c4)c3C)C(=O)NC2=S)c(OC)c1	409097259	GFCUQIBBUVIDJM-RGVLZGJSSA-N	520.567	4.159	10	40	KICB	
Cc1ccccc1NC(=O)COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1	409262785	HEMLLYSLFIVIQQ-KGENOOAVSA-N	534.366	4.441	10	40	KICB	
CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1OC	408808038	DKWCPTUOAFMWFE-VGOFMYFVSA-N	540.741	4.327	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408845646	GWKWJJBZHJAJSV-LICLKQGHSA-N	522.401	4.109	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Br)c1OC	409247755	NQJJZHAWRJHSID-MLPAPPSSSA-N	515.307	4.316	10	40	KICB	
COC(=O)C[C@@H](c1ccc2ncccc2c1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	96222811	BEFSJYDSBLFNQS-INIZCTEOSA-N	515.474	4.231	10	40	KICB	biogenic
O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409081878	OQUWDJXMYICZTK-LICLKQGHSA-N	569.280	4.430	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1	409253252	ATRBAPJLDDFNGU-PDGQHHTCSA-N	521.016	4.432	10	40	KICB	
CCCN1C(=O)/C(=C/c2cc(I)c(O)c(I)c2)SC1=S	409352168	WMWYRAGCOMPTFE-POHAHGRESA-N	531.178	4.213	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1	409408360	PXRUGYSDNIYVOP-MOSHPQCFSA-N	536.382	4.327	10	40	KICB	
O=C(NC1CCCC1)[C@H](c1ccc(N2CCOCC2)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1ccco1	13025020	CAJMDUDJJVTKFB-NDEPHWFRSA-N	531.609	4.287	10	40	KICB	
O=C1C[C@@H](c2cc(Cl)c3c(c2)OCO3)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1	96222163	WNWNCYFHHCFZIW-NSHDSACASA-N	510.838	4.106	10	40	KICB	biogenic
Cc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)cc1	97964821	AVDSNCPCFCCZOO-NKFJNAIASA-N	526.640	4.100	10	40	KICB	
CN1C(=O)[C@]2(c3cc(Cl)ccc31)N(C)C[C@H](c1cccnc1)[C@]21SC(=S)N(Cc2ccco2)C1=O	106021955	LEIKQNQFTZYFCU-BTZRARBUSA-N	525.055	4.028	10	40	KICB	
COc1ccc(N2CCN(C(=O)c3ccc4c(c3)CCCN4S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1	225865200	SLUWUQWKEOEVEU-UHFFFAOYSA-N	526.058	4.453	10	40	KICB	
CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(s/c(=C/c3ccc(N4CCCC4)cc3)c2=O)=N1	409056229	FVTXAKLOLWPNDO-XIJDOWMKSA-N	531.678	4.187	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)C2=O)cc1	409087572	BWZNLMVLQZLELM-RQZCQDPDSA-N	596.892	4.410	10	40	KICB	
COCCN1C(=O)/C(=C/c2cn(CC(=O)N3CCCCC3)c3ccc(Br)cc23)SC1=S	409122637	AKJRRQSAWBWZBI-ODLFYWEKSA-N	522.490	4.264	10	40	KICB	
Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)C1=O	409152080	JLCFKHRZGKWXKD-RGVLZGJSSA-N	506.492	4.326	10	40	KICB	
Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)cc2Br)cc1	409227377	ZSISIFCDLURTKZ-DEDYPNTBSA-N	534.366	4.441	10	40	KICB	
COC(=O)COc1c(I)cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1OC	409347747	NHCULYKFLKXXQK-LICLKQGHSA-N	555.415	4.253	10	40	KICB	
CCc1nnc(NS(=O)(=O)c2ccc(N/C=C3\C(=O)N(c4ccc(Cl)c(OC)c4)N=C3C)cc2)s1	5940865	SZDILFPMAGGGBT-ATVHPVEESA-N	533.035	4.282	10	40	KICB	
CC[C@H](C)N1C(=O)/C(=C/c2c(N3CCN(Cc4ccccc4)CC3)nc3c(C)cccn3c2=O)SC1=S	100763502	MHGNPHYTXKDBQN-MCIDSYJDSA-N	533.723	4.325	10	40	KICB	
O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/Nc1cc2nc(O)[nH]c2cc1N1CCOCC1	408528500	GFQBHSVRFQUEQT-HAVVHWLPSA-N	582.661	4.152	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccccc1	409070355	FNKGDEVOCNRQCT-DEDYPNTBSA-N	556.980	4.181	10	40	KICB	
CCOc1cc(/C=C2/SC(=S)NC2=O)ccc1OC(=O)c1ccccc1I	13548711	DETHGPNTWOTHKS-MHWRWJLKSA-N	511.362	4.398	10	40	KICB	
CCOc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccc(C(=O)O)cc4)c(OC)c3)C2=O)c1	408759648	IQIVFYKGZJJPOK-XKZIYDEJSA-N	516.506	4.038	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1	408813772	OVLACHLBSKPUEB-RGVLZGJSSA-N	610.373	4.398	10	40	KICB	
O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(O)c(I)c1	408904731	NSZIORRMBVHXEJ-BJMVGYQFSA-N	519.147	4.135	10	40	KICB	
CCN(CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)c2C)cc1	408951720	MMUHLXRMJLVNJS-OEAKJJBVSA-N	500.555	4.335	10	40	KICB	
Cc1cccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2Cl)c1	409044130	AZBAXKGDLBQSBI-UDWIEESQSA-N	534.912	4.241	10	40	KICB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(F)cc2)c(I)c1	409398851	DVGARIQAPFGADZ-UNOMPAQXSA-N	514.294	4.471	10	40	KICB	
CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCS(=O)(=O)O)C2=O)c1	2395351	RSKPGVNRZFSJCJ-RCCKNPSSSA-N	529.665	4.417	10	40	KICB	
C[C@@H]1Cc2cc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)ccc2O1	100897604	IKDALLQSFLPWAU-FCXSKUKRSA-N	537.688	4.251	10	40	KICB	
CN1C(=O)C(=Cc2cc(I)c(OCc3ccccc3F)c(I)c2)C(=O)N(C)C1=S	164430689	VAUJDRDTWGXNAR-UHFFFAOYSA-N	636.224	4.213	10	40	KICB	
O=C(C[C@H](c1ccc(OCCc2ccc3c(c2)CCO3)cc1)c1c(O)n2ccccc2nc1=O)NCCc1ccc(O)c(O)c1	230460776	XHBVHUMXIWZXMW-HHHXNRCGSA-N	607.663	4.249	10	40	KICB	
COc1cc(S(=O)(=O)Nc2ccccc2C)ccc1N/C=C1\C(=O)NC(=O)N(c2c(C)cc(C)cc2C)C1=O	408537156	ZIQFWYZWESUROG-RCCKNPSSSA-N	548.621	4.308	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OC(C)C)c(OCC)c3)C2=O)cc1	408802396	ZSNBFEASHNMYSW-WOJGMQOQSA-N	592.386	4.320	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409227197	UDFQUIXGHIREDX-KEBDBYFISA-N	656.389	4.200	10	40	KICB	
COC(=O)COc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccc3c(c2)OCO3)C1=O	409345352	LGVBWHKYYNDSSR-REZTVBANSA-N	508.371	4.135	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(F)cc4)c(Cl)c3)C2=O)cc1	409365701	VZBWVMAHOMHSDH-UDWIEESQSA-N	523.904	4.172	10	40	KICB	
COCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)C(=O)N(c2ccccc2)C1=O	4108016	RWJAZBHXEOBUOC-KQWNVCNZSA-N	501.539	4.126	10	40	KICB	
O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)N(CCO)Cc1ccccc1	9030142	AOMWWJZULTUHPD-RGEXLXHISA-N	505.459	4.062	10	40	KICB	
Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCOCC4)cc3)ccc2Cl)cc1	10112152	BOIGFRJPSPETPO-UHFFFAOYSA-N	500.020	4.216	10	40	KICB	
CC(C)C[C@@]1(C(=O)O)N[C@@H](c2cc(Br)ccc2O)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]21	98005171	XRGPWTFBQSRQLZ-KEXUJGGDSA-N	566.246	4.237	10	40	KICB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1	100303580	LUALQZHHEXBQBW-UOOXJCEYSA-N	553.684	4.400	10	40	KICB	
[N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)Oc2ccc(C(=O)c3ccccc3)c(OS(=O)(=O)c3cccc4c3C=CC(=[N+]=[N-])C4=O)c2)C1=O	150361708	RVUFIAZZLHJNJS-UHFFFAOYSA-N	678.660	4.214	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408895460	MXBUOZAJVSNPLO-FYJGNVAPSA-N	690.468	4.219	10	40	KICB	
Cc1ccc(S(=O)(=O)Oc2cccc(/C=C3/C(=O)NC(=O)N(c4cc(Cl)ccc4C)C3=O)c2)cc1	408936969	LQHZFVQBDOZFPO-BKUYFWCQSA-N	510.955	4.391	10	40	KICB	
O=C(COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O)Nc1ccc(Cl)cc1	409227259	YRVUONMWVFDEEX-UDWIEESQSA-N	526.332	4.383	10	40	KICB	
O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Cl)Nc1ccccc1F	409380434	NAFGKRBZRRAFIP-GZTJUZNOSA-N	511.868	4.302	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1F	409383450	VHASMRVHZBLEFG-WOJGMQOQSA-N	523.904	4.172	10	40	KICB	
CCCCN1C(=O)/C(=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c2ccccc21	2369179	OUVOOSKJYZWNEF-XDOYNYLZSA-N	504.637	4.407	10	40	KICB	
Cc1cc(C)cc(N2C(=O)[C@@H]3[C@@H](c4ccccc4O)N[C@](Cc4c[nH]c5ccccc45)(C(=O)O)[C@@H]3C2=O)c1	102781214	IIVZPOSHWDJSRJ-MMGVRFDJSA-N	509.562	4.007	10	40	KICB	
COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1	106611616	MLNSRORSVIEWFI-LFVJCYFKSA-N	547.995	4.103	10	40	KICB	
C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)CCCN(c3ccc4c(c3)OCCO4)S(C)(=O)=O)cc2)C1	224828742	PWAVAOBMMQQXKP-NHCUHLMSSA-N	515.676	4.118	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br	408767734	GRFZLABXAOAQBQ-WYLTYJJASA-N	630.561	4.130	10	40	KICB	
CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1Br	408783542	OFPHZANUXWONBF-LZYBPNLTSA-N	535.778	4.328	10	40	KICB	
CCCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OC	408787321	XOWGUUKKGRTZIZ-LICLKQGHSA-N	534.350	4.372	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408817018	ZMWYXIPGRRKKGC-DJKKODMXSA-N	644.334	4.362	10	40	KICB	
COC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1I	408902994	TYOXXLMQAKYZPG-MHWRWJLKSA-N	511.362	4.249	10	40	KICB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(CNS(=O)(=O)c4ccc(C)cc4)o3)C(C(=O)OC)=C2C)cc1	409013432	NHWLBBMGQFOAJJ-PCLIKHOPSA-N	536.606	4.342	10	40	KICB	
CC(C)(C)NC(=O)[C@H](c1ccc(N2CCOCC2)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(F)cc1	6074969	ODBBYYZOWNDAQF-NDEPHWFRSA-N	544.631	4.096	10	40	KICB	
CCOc1cc(/C=C2\C(=O)N(c3ccc(Br)c(C)c3)C(=O)N=C2O)ccc1OCC(=O)O	14010678	IGTCGTTXDJJXSD-DHDCSXOGSA-N	503.305	4.126	10	40	KICB	
O=C1C(=Cc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1	16488504	HNGODHQKVPUQAL-UHFFFAOYSA-N	514.563	4.180	10	40	KICB	
Cc1c(C(=O)O)cccc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)o1	17155058	FIWPCYWFRBHSDE-FBHDLOMBSA-N	506.492	4.357	10	40	KICB	
O=C1N=C(N2CCN(c3ccccc3[N+](=O)[O-])CC2)S/C1=C\c1ccc(OS(=O)(=O)c2ccccc2)cc1	102457703	IZUVRFAGYIOKEJ-MOHJPFBDSA-N	550.618	4.155	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OC(=O)c1ccco1	408535301	NMEUDQZJLMSTCT-SFQUDFHCSA-N	525.311	4.326	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3ccccc3F)C2=O)cc1	408894469	IFFRNRZZUKECPU-HYARGMPZSA-N	518.497	4.256	10	40	KICB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5ccc(C(=O)OC)cc5)c4C)c(=O)n32)cc1OCC	408933686	KBDOZYVNKXXZNP-FHGOPSEHSA-N	615.708	4.010	10	40	KICB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5ccc(C)c([N+](=O)[O-])c5)c4C)c(=O)n32)cc1OCC	408943054	XWWOMOLMTAWSEW-WQVUUJHJSA-N	616.696	4.440	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCC)cc3OCC)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	408986363	PDLAQQAFHJQJNQ-RISWYLRJSA-N	614.562	4.424	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC(=O)Nc4cccc(C)c4)c(OC)c3)C2=O)cc1	409049079	VZPQLAUYWAENRO-CIAFOILYSA-N	594.418	4.459	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1	409067365	QKMOKIVTWGXCLX-DEDYPNTBSA-N	619.833	4.323	10	40	KICB	
COC(=O)COc1c(I)cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC	409341381	BIAQFQITAMUFID-LZYBPNLTSA-N	586.385	4.166	10	40	KICB	
COc1ccc(N2CCN([C@@H](c3coc4ccc(Cl)cc4c3=O)c3nnnn3C3CCCC3)CC2)cc1	19973717	QUYYJRYSZSBYGM-VWLOTQADSA-N	521.021	4.468	10	40	KICB	
CCOc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1OC	100220228	YSTJHSCWBLCRRP-RIYZIHGNSA-N	540.233	4.450	10	40	KICB	
COc1ccccc1NC(=O)[C@@H](/N=N\c1ccc(-c2nc3ccc(C)c(S(=O)(=O)O)c3s2)cc1S(=O)(=O)O)C(C)=O	100414958	JEPNNQGUMUZZHF-QPGSPHQCSA-N	618.671	4.454	10	40	KICB	
COc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc(OC)c1OCCOc1ccccc1	101067244	IUSTWDDXVMXWBS-DLDIIRHTSA-N	529.578	4.224	10	40	KICB	
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCOc4ccc(Cl)cc4)c(Cl)c3)C(=N)N21	101394729	OTZRGBHMFUIKCB-ISFIWZGBSA-N	539.422	4.072	10	40	KICB	
CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OC	408760934	BDZRULFPNQRBSZ-OVCLIPMQSA-N	551.777	4.028	10	40	KICB	
COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1	409003184	FFGXWUIRWSHWDK-HYARGMPZSA-N	519.941	4.065	10	40	KICB	
CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C\c3ccc(N4CCN(C)CC4)c([N+](=O)[O-])c3)c2=O)=N1	409036197	AMIJHIXPYFKXPH-YNMQQHPQSA-N	684.613	4.010	10	40	KICB	
CCc1cccc2c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)cn(CC(=O)NCc3ccco3)c12	409128805	KXVUCUDUKCYQHZ-YOYPMJMESA-N	509.653	4.493	10	40	KICB	
COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1I	409229763	USNCIISJUHHTIM-NTUHNPAUSA-N	512.756	4.093	10	40	KICB	
COc1ccc(N2CCN(C(=O)c3ccc(N(Cc4ccc(Cl)cc4)S(C)(=O)=O)cc3)CC2)cc1	659905	NSNBGYYTRHYDBL-UHFFFAOYSA-N	514.047	4.277	10	40	KICB	
COc1ccc(N2CCN([C@@H](c3cc4cc(C)c(C)cc4[nH]c3=O)c3nnnn3Cc3ccccc3)CC2)cc1	6194889	HFTLFNBRMYXXJF-LJAQVGFWSA-N	535.652	4.100	10	40	KICB	
COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)c([N+](=O)[O-])c1	223190319	OKYCXMUZFFYJRM-RRPNLBNLSA-N	550.685	4.101	10	40	KICB	
Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\c2cc(Br)c(N3CCCC3)o2)C1=O	408850889	FPDSHLDNJNLCID-NTEUORMPSA-N	523.181	4.380	10	40	KICB	
Cc1cccc(COc2c(Br)cc(C=C3C(=O)NC(=S)NC3=O)cc2Br)c1	408921437	AVSGMDPBMQNGHU-UHFFFAOYSA-N	510.207	4.013	10	40	KICB	
CCCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC	408940762	UZPSRXUWTSMWIF-MHWRWJLKSA-N	565.320	4.053	10	40	KICB	
CCOC(=O)COc1cc(Br)c(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OCC	408982316	GMRRJLVWOOGDHT-PXNMLYILSA-N	565.804	4.418	10	40	KICB	
CCN(CC)c1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(O)c1	409090537	NSKVBYSWNHLXGM-PQRKSKNISA-N	568.699	4.434	10	40	KICB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2C=C2C(=O)NC(=S)NC2=O)cc1Cl	409261317	CWSGXWUZHBPJPL-UHFFFAOYSA-N	587.677	4.105	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1OC	409377794	JWYIPRFVYJKOIP-UNOMPAQXSA-N	639.415	4.449	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccc(I)cc1	408770932	CLPKBGGEBCRJEI-VXLYETTFSA-N	598.349	4.274	10	40	KICB	
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1	408937322	ITUZHUFPPZLJTB-LFVJCYFKSA-N	557.540	4.491	10	40	KICB	
Cc1c(C(=O)O)cccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)o1	409014370	PBJGBKJKFZKGHV-LFVJCYFKSA-N	531.590	4.338	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	409018571	MZQOGCULRFIVDU-RAWKODRKSA-N	583.758	4.338	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(C(=O)O)cc4)c(OC)c3)C2=O)cc1	409069636	WMRXVDPHNYNXBI-RGVLZGJSSA-N	564.934	4.079	10	40	KICB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(O)c(OCC)c3)C2=O)cc1OCC	409191648	KADZOAUGVLPIDP-LICLKQGHSA-N	547.402	4.403	10	40	KICB	
COc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O	409377592	IOQQWYXTOPQVMF-UYRXBGFRSA-N	595.362	4.050	10	40	KICB	
COc1ccc(N2CCN(C(=O)CN(c3ccc(C)c(Cl)c3)S(=O)(=O)c3ccccc3)CC2)cc1	20061222	OZGXBOVXGPHPPU-UHFFFAOYSA-N	514.047	4.201	10	40	KICB	
COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)ccc1NS(C)(=O)=O	225419178	DPGWXCFJQNMBQR-IZZNHLLZSA-N	548.694	4.441	10	40	KICB	
CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(I)c1OCc1ccccc1	408754847	LNHPGMDLMRLHBP-WQRHYEAKSA-N	522.364	4.375	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@H]1c1ccccc1OC	409021507	KQTMPEDYYSCXMD-HRIDGTDGSA-N	599.709	4.309	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1	409022639	DZECHUHZABZMBX-PQRKSKNISA-N	570.715	4.280	10	40	KICB	
COc1ccc(N2CCN(C(=O)CN(C3CCCCC3)S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1	409055298	DRZWYQAVIVSWBS-UHFFFAOYSA-N	506.068	4.021	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409362593	INQSGGOEQWFKKZ-ODLFYWEKSA-N	568.355	4.281	10	40	KICB	
COc1ccc(CN2C(=O)/C(=C/c3c(NCCCOC(C)C)nc4ccccn4c3=O)SC2=S)cc1	8856433	TWFIQBBOQIRLEE-QNGOZBTKSA-N	524.668	4.332	10	40	KICB	
COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOCCOc1ccccc1	41083327	JQUIVAXKSSEIBF-VVHVNJFJSA-N	508.600	4.445	10	40	KICB	
Cc1ccccc1[C@@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12	100497464	JIPHVOKKOBXSDY-FKBYEOEOSA-N	516.347	4.453	10	40	KICB	
CN1CCc2c(sc3c2C(O)=N[C@H](c2cc(I)cc(I)c2O)N3)C1	102857739	YYBDKEHRUREFDD-AWEZNQCLSA-N	567.190	4.080	10	40	KICB	
Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@H]2[C@@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2	253388227	BYSRPHRKESMCPO-PSSZHUCBSA-N	864.765	4.242	10	40	KICB	endogenous,in-man
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	408532593	IKEHWLNASUVBOJ-YBFXNURJSA-N	658.401	4.211	10	40	KICB	
COc1ccc(Cl)cc1-c1nc(S/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)O)n[nH]1	408633027	VBDVQRAMQNPIII-YBFXNURJSA-N	517.951	4.096	10	40	KICB	
COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1	409003522	HTMBBDPLECAKLK-OEAKJJBVSA-N	533.968	4.374	10	40	KICB	
CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)OC)cc2)C1=O	409045571	ZGMGHZUGGXKHMP-OQLLNIDSSA-N	552.175	4.063	10	40	KICB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12	409108663	YEVZUUIPIJKNDX-NLTKXKDSSA-N	554.716	4.331	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409217379	BWXDTKFMLOOHIS-RGVLZGJSSA-N	609.389	4.358	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(C)cc4)c(Br)c3)C2=O)cc1	409226769	WSFJHQYTJRIDNF-FYJGNVAPSA-N	592.402	4.228	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1	409265135	NWMWBYJPTBMRJY-JCMHNJIXSA-N	515.591	4.243	10	40	KICB	
COc1ccc(N2CCN([C@H](c3cc4c(C)ccc(C)c4[nH]c3=O)c3nnnn3CCc3ccccc3)CC2)cc1	1381744	LQMPCDVHUGBVAE-SSEXGKCCSA-N	549.679	4.294	10	40	KICB	
O=C1N[C@H](c2cc(Br)cc(Br)c2O)[C@@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1	8432912	ROUBDRPGGXHHPB-OGHNNQOOSA-N	538.114	4.021	10	40	KICB	
COc1ccc(OCCn2cc(/C=C3\C(=O)N(C)c4ccc(S(=O)(=O)N5CCOCC5)cc43)c3ccccc32)cc1	8777614	ZIWGABAHTQPUBW-USHMODERSA-N	573.671	4.267	10	40	KICB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(I)c(OCC)c(OCC)c2)C1=O	409243825	UUNGDMLMOGRCKK-RVDMUPIBSA-N	550.349	4.154	10	40	KICB	
COC(=O)COc1c(I)cc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)cc1OC	409338796	BHRWJGZMQKGBRP-LICLKQGHSA-N	571.414	4.266	10	40	KICB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4F)c(OC)c3)C2=O)cc1OC	409380752	ACSRHMMTPUKWKK-ZHZULCJRSA-N	577.565	4.316	10	40	KICB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	409405628	IFLGYNOZFLUFTO-ODLFYWEKSA-N	524.327	4.406	10	40	KICB	
O=C1/C(=C\c2c(N3CCc4ccccc4C3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc2c(c1)OCO2	1294811	JEHYHGISMGPFFE-ZVHZXABRSA-N	554.653	4.387	10	40	KICB	
CC(/C=C1\SC(=S)N(CC(=O)Nc2ccc(C(=O)OCCN(C)C)cc2)C1=O)=C\c1ccccc1	8820634	DNDKZWJXTXIFJP-RCYLNMRYSA-N	509.653	4.191	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1	13774497	AHXRZZAMWIGREZ-LELXDKESSA-N	500.554	4.203	10	40	KICB	
CCOCCCN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4F)CC3)nc3ccc(C)cn3c2=O)SC1=S	97965928	HDKPEJQOTNTPHI-QJOMJCCJSA-N	567.712	4.096	10	40	KICB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1ccc(Cl)cc1Cl	101393925	VOKFPYAKNLDKJO-DUIHUKNUSA-N	539.422	4.202	10	40	KICB	
COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C(=O)O)ccc2C)c1C	223728173	XMCLRWKDOQHHOP-DQEYMECFSA-N	506.628	4.421	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	408535294	NLXJTXDVGAJWBP-FYJGNVAPSA-N	560.559	4.305	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1	408800842	PUEXQTWTHXQIHM-FYJGNVAPSA-N	580.347	4.389	10	40	KICB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1	408898136	UVUSKAZBBWOZPF-KGENOOAVSA-N	510.955	4.391	10	40	KICB	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)c3)c2C)cc1	13209252	LYODFRDURSVJGW-OYRHEFFESA-N	524.639	4.240	10	40	KICB	
CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C(=N)N21	33356307	PSABHIIFJUSIHX-OSIMKLFKSA-N	521.418	4.357	10	40	KICB	
CC(C)(C)C(=O)OC[C@@H](N=[N+]=[N-])[C@@H]1O[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C	77272019	JLKYKJIAGQRDOG-ICUGJSFKSA-N	541.642	4.485	10	40	KICB	in-vitro
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccc(N(C)C)cc1	223187298	LVHWBGNUPIFLEB-WUFINQPMSA-N	518.731	4.250	10	40	KICB	
Cc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(O)cc2)C1=O	409253362	AZTAONPYZBAKJY-MOSHPQCFSA-N	550.365	4.147	10	40	KICB	
CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc([N+](=O)[O-])ccc4OC)c3C)C(=O)NC2=S)cc1	409383491	YUROZVNJJPQZMF-FYJGNVAPSA-N	504.568	4.405	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F	409389011	YSRZMAIMHZLEOD-WQRHYEAKSA-N	553.930	4.267	10	40	KICB	
CCOCCCN1C(=O)/C(=C\c2c(N3C[C@@H](C)C[C@H](C)C3)nc3c(C)cccn3c2=O)SC1=S	8856714	RPLZPJKRIIZKMS-WLNXHHGHSA-N	500.690	4.113	10	40	KICB	
COc1ccc(N2CCN(C(=O)CN(c3cccc(Cl)c3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1	9635968	CZWPUDABXLOTOH-UHFFFAOYSA-N	514.047	4.201	10	40	KICB	
COC(=O)C[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12	108450040	DVXMNYBYTPCUMQ-KRWDZBQOSA-N	529.501	4.122	10	40	KICB	biogenic
CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/N2N=C(c3ccc(Br)cc3)C[C@H]2C(=O)O)SC1=S	256055849	WILLSUXVEJTFFB-MHTIRGBASA-N	588.505	4.188	10	40	KICB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1I	408753800	NXSNPKNHKNPDKZ-MDWZMJQESA-N	541.139	4.037	10	40	KICB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1	409224855	LAJSICCOPSVVPE-FYJGNVAPSA-N	507.905	4.471	10	40	KICB	
Cc1ccc(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl	409269058	DKEPVHPCWNBAMI-NDENLUEZSA-N	534.912	4.241	10	40	KICB	
Cc1cc(C)cc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCC2)c2ccc(O)c(O)c2)c1	902674	YCDCWNIEBAGVLH-NDEPHWFRSA-N	513.598	4.293	10	40	KICB	
Cc1cccc(-n2c(=O)/c(=C3/Sc4ccccc4N3C)s/c2=C2/C(=O)N(c3ccccc3)N=C2NC(=O)c2ccccc2)c1	4124946	WMWLUXGRMNRORH-ROCGJNGWSA-N	615.740	4.456	10	40	KICB	
COC(=O)C[C@@H](C1=Cc2ccccc2OC1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	96114556	LICMPEMHTKCXTF-INIZCTEOSA-N	518.474	4.111	10	40	KICB	biogenic
Cc1ccccc1[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccccc3I)C(=O)[C@@H]12	100497456	UIMQIIJFXZVUIJ-BHIFYINESA-N	563.347	4.295	10	40	KICB	
O=C(CN1C(=O)C[C@@H](N2C(=O)/C(=C\C=C\c3ccccc3)SC2=S)C1=O)Nc1cccc(C(F)(F)F)c1	101025094	BYRMONTUGSKGTD-MZIFNNTCSA-N	545.564	4.229	10	40	KICB	
Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(I)cc1	408742613	WUUAFRVNXNZLTM-MOSHPQCFSA-N	511.319	4.365	10	40	KICB	
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5cccc(C(=O)O)c5)c4C)c(=O)n32)cc1	408844806	WSEFLGCXSAYJML-FUFNRSNVSA-N	585.682	4.301	10	40	KICB	
O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br)Nc1ccc(F)cc1	408902104	GDVPFGOXCHBUNI-YBFXNURJSA-N	556.319	4.411	10	40	KICB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(Sc4nnnn4-c4ccccc4)c([N+](=O)[O-])c3)C(=O)NC2=S)c1	408994264	YRZBSQLEXIBQJO-DEDYPNTBSA-N	557.617	4.170	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1	409041483	JQRVGZYAOXKZHA-UDWIEESQSA-N	564.938	4.331	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Br)c1O	409241007	WDMGWBKRTGPBLD-AWNIVKPZSA-N	515.307	4.404	10	40	KICB	
CCCCC1=NN2C(=N)/C(=C/c3ccc(OCc4cc(=O)n5nc(CC)sc5n4)cc3)C(=O)N=C2S1	41082921	UTQGFLZBTSUNDQ-KUYAPCGNSA-N	521.628	4.102	10	40	KICB	
COC(=O)C[C@@H](c1cc(OC)c2c(c1)OCO2)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12	96221616	FJUUYOHQHMARPT-HNNXBMFYSA-N	506.463	4.009	10	40	KICB	biogenic
COc1ccc(N2CCN(CN3C(=O)[C@]4(OC[C@@H](COc5ccc(Cl)cc5)O4)c4ccccc43)CC2)cc1	98007898	JJYXTUXQRGSHTA-IRPSRAIASA-N	536.028	4.122	10	40	KICB	
CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCOc4ccccc4Cl)cc3)C(=N)N21	101396636	TVCZUYFUUVRPBC-NTHYWZRTSA-N	533.031	4.198	10	40	KICB	
C[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3nnc(NC(=O)c4ccccc4Cl)s3)cc2)C1	223913942	ZYNAGFOOGPSIBK-OAHLLOKOSA-N	506.053	4.159	10	40	KICB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5ccc(N(C)C)cc5)c4C)c(=O)n32)cc1OCC	408932292	BWMWHQRUFAAWKV-IUBRTPTASA-N	600.741	4.289	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OS(=O)(=O)c4ccc(Cl)cc4)c(OC)c3)C2=O)cc1	409067564	FHIDRDIPKPDRQS-YBFXNURJSA-N	649.859	4.332	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C	409262455	DXXWFMMNPZITPN-HMAPJEAMSA-N	513.550	4.304	10	40	KICB	
COc1cc([C@@H](c2cc3c(cc2O)OCO3)N2CCN([C@H](c3ccc(O)c(OC)c3)c3cc4c(cc3O)OCO4)CC2)ccc1O	22859565	JNDFMQZGQIMBNM-AQOUDTPCSA-N	630.650	4.480	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3cccc([N+](=O)[O-])c3)C2=O)cc1	408818238	XFWYLEJJAYWYOB-FYJGNVAPSA-N	580.347	4.389	10	40	KICB	
COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n21	408956802	RVYNZNSILVAJQZ-MFUBYVTQSA-N	570.509	4.024	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br	409086215	YRTRQZWEYYEUFW-IYVASWNSSA-N	671.570	4.477	10	40	KICB	
Cc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl	409259593	BERDCPKQJABMQC-UNOMPAQXSA-N	534.912	4.241	10	40	KICB	
COc1cc(OC)c(CN2C(=O)c3ccccc3C2=O)cc1/C=C1/C(=O)N(c2ccc(C)cc2)C(=S)N=C1O	1295081	UESXRTPKKXHHLM-LPYMAVHISA-N	541.585	4.480	10	40	KICB	
O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1cc([N+](=O)[O-])ccc1O	8819997	VLCPOXRFLUFBGG-JAIQZWGSSA-N	515.569	4.429	10	40	KICB	
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCc4ccccc4Cl)c(Cl)c3)C(=N)N21	20206289	WPMNSCXQMYXAOW-JXFDPVBFSA-N	509.396	4.194	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1	97959677	TVPHCEMSZUQUIZ-XSZPGNIMSA-N	582.520	4.170	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C2=O)cc1	100345091	XKQHINRFXRQPSE-UDWIEESQSA-N	601.431	4.209	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1	408891027	KCBPQEMOLOFQTM-PXLXIMEGSA-N	613.442	4.368	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OC	409064598	HUSIZMRSGFHVCG-KPKJPENVSA-N	542.782	4.102	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	409371389	CHYDYLMNMFGNPL-VXLYETTFSA-N	525.901	4.481	10	40	KICB	
COc1ccc(N2CCN([C@@H](c3cc4c(C)cc(C)cc4[nH]c3=O)c3nnnn3CCc3ccccc3)CC2)cc1	1382310	VDSZYEUFODSZQO-PMERELPUSA-N	549.679	4.294	10	40	KICB	
O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1c1c(O)cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc12	67902520	DAGFXZAYWUIGPC-LMSSTIIKSA-N	556.479	4.499	10	40	KICB	biogenic,in-vitro
CCc1nn2c(=O)cc(COc3ccc(/C=C4/C(=N)N5N=C(C6CCCCC6)SC5=NC4=O)cc3)nc2s1	97964334	CRYMXXMNCLFQEF-ILUGDOHVSA-N	547.666	4.492	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1	100189637	WZDFHMILTLGENP-ASZNLBCTSA-N	579.719	4.148	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OS(=O)(=O)c4ccc(Cl)cc4)c(OC)c3)C2=O)cc1	409070304	LMROKFUZVVRDEE-YBFXNURJSA-N	696.859	4.174	10	40	KICB	
CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3cccc(C(=O)OC)c3C)c2C)C1=O	409231830	KXBCDRKLVCHNRU-BUVRLJJBSA-N	514.582	4.283	10	40	KICB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc(Cl)c(CN2C(=O)c3ccccc3C2=O)c1	2071138	ZOUNHZKYWFQBES-NDENLUEZSA-N	535.343	4.368	10	40	KICB	
CCc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NCc1ccccc1)c1ccc(N(C)C)cc1	6135418	GWPXOMHPWUWASR-SANMLTNESA-N	556.692	4.157	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)c(N3C[C@H](C)O[C@H](C)C3)nc12	8872536	ACXMVWKPNPMNQX-GWXBNQQSSA-N	520.680	4.060	10	40	KICB	
CC[C@H](C)N1C(=O)/C(=C/c2c(N3CCN(c4ccccc4OC)CC3)nc3ccccn3c2=O)SC1=S	100844049	ONUMBXUTDGJCCM-LSOGNMMWSA-N	535.695	4.029	10	40	KICB	
Cc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)cc2)cc1	101030929	MSZRAHWWIUIJLK-DZMCVATHSA-N	531.638	4.475	10	40	KICB	
O=C1/C(=C/c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC(=S)N1C1CCCC1	103656187	YNNIXDVSJPLYLZ-XLNRJJMWSA-N	535.670	4.304	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1OC	408995830	NQMAVDKKZFBSMF-KEPJHFNWSA-N	615.708	4.010	10	40	KICB	
Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2Cl)c1	409258359	UTGQMGWSMBFXJD-NDENLUEZSA-N	519.941	4.346	10	40	KICB	
O=C(COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O)Nc1ccc(F)cc1	409362500	GRLMBIFHRDSJBX-UDWIEESQSA-N	556.319	4.411	10	40	KICB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C/c2ccccc2OCC(=O)Nc2ccccc2F)C1=O	409379264	WIXQNQCWTOKADD-LGMDPLHJSA-N	507.905	4.471	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](c4cccc(Br)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	6599847	JJYYJGBNPPQFRO-VJBWXMMDSA-N	574.383	4.321	10	40	KICB	
COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCC3)cc2)c2ccc(C)cc2)cc1OC	10113573	IOMUVVLOZJEBTG-UHFFFAOYSA-N	523.655	4.124	10	40	KICB	
CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	100148926	CSSZXXCQHPKPNV-LDADJPATSA-N	518.418	4.425	10	40	KICB	
Oc1cc(O)c2c(c1)O[C@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@@H]4c1c(O)cc(O)c2c1O[C@@H](c1ccc(O)c(O)c1)[C@H](O)C2	150343268	BYSRPHRKESMCPO-BQTMOKRUSA-N	864.765	4.242	10	40	KICB	biogenic,in-man
CC(C)Cc1nnc(NC(=O)CCN2C(=O)/C(=C3\SC(=S)N(CCC(=O)Nc4nnc(CC(C)C)s4)C3=O)SC2=S)s1	150380892	FEUWYESSVHDCNQ-ISLYRVAYSA-N	684.942	4.076	10	40	KICB	
O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)Nc3ccc4c(c3)OCO4)C2=O)SC1=S)Nc1ccc2c(c1)OCO2	150469711	RLPLMVPXHWRXBQ-WCWDXBQESA-N	672.788	4.214	10	40	KICB	
Cc1ccc(O)c(CN2CCC[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCN(C)CC3)C2)c1	257326763	WYMXANSSNVLHGN-NDEPHWFRSA-N	500.083	4.488	10	40	KICB	
O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C/Nc1cc2nc(O)[nH]c2cc1N1CCN(c2ccccc2)CC1	408529899	IFUFBQJKHFUDEV-FCDQGJHFSA-N	573.613	4.327	10	40	KICB	
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(N5CCCCC5)cc4)c(=O)n32)cc1	409060110	STZLQUNBUQHBSR-XKGHIZKOSA-N	531.678	4.186	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1	409374307	MBXCCUXODVBOPB-YBFXNURJSA-N	568.380	4.120	10	40	KICB	
COc1ccccc1NC(=O)COc1c(Cl)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1OC	409385166	HVQIKKMSLDVCPB-PDGQHHTCSA-N	552.008	4.206	10	40	KICB	
Cc1cc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccncc4)C3=O)c2C)ccc1I	409392410	MHHQVJUPJRTBFP-UNOMPAQXSA-N	526.334	4.069	10	40	KICB	
CNc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1I	100192573	DOGSEOOQFSCNJH-VGOFMYFVSA-N	601.182	4.221	10	40	KICB	
O=C1[C@H]2[C@@H](C(=O)N1c1ccc(F)c([N+](=O)[O-])c1)[C@H](c1ccc(Cl)cc1)OC21C(=O)c2ccccc2C1=O	100635161	YFYHYKXNBBWWIL-NJYVYQBISA-N	520.856	4.082	10	40	KICB	
O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc(Cl)cc1Cl	408685261	LDCPCGYEUJEALQ-UEXGIBASSA-N	501.366	4.038	10	40	KICB	
COc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc1I	408722228	FMMWWZPHNSURAX-LFYBBSHMSA-N	624.625	4.389	10	40	KICB	
O=C(COc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(F)cc1	409363213	KFPOYQRQODOTJL-NDENLUEZSA-N	583.326	4.180	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(OC)cc1	409370688	TUQNRKOFNXDHKW-MTJSOVHGSA-N	639.415	4.449	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@H]1c1cccs1	8438599	XJLZSRXNHSXGSF-XXMKCSCWSA-N	561.685	4.054	10	40	KICB	
CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCCC2)cc1)c1cc(C(F)(F)F)ccc1Cl	13676270	ZWGFZLCSGNAHRW-UHFFFAOYSA-N	503.974	4.432	10	40	KICB	
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)[C@@H]3CCCO3)c3ccc(C)cc32)S1	59471500	QLEVAMDTCHCVNG-HNNXBMFYSA-N	519.666	4.375	10	40	KICB	
C[C@@H](NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1)c1ccc(N2CCCCC2)cc1	224708431	FPRLBOIDLQYSCG-OAHLLOKOSA-N	506.053	4.474	10	40	KICB	
CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1	97947381	MAGNIAXBDMIADW-LCJWNIEWSA-N	555.703	4.173	10	40	KICB	
Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@H]2[C@@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@@H]4c1c(O)cc(O)c2c1O[C@@H](c1ccc(O)c(O)c1)[C@@H](O)C2	253388224	BYSRPHRKESMCPO-ATZGZSRDSA-N	864.765	4.242	10	40	KICB	endogenous,in-man
O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1cc(Br)ccc1OC(=O)c1ccccc1	408534956	NCFPQOFTKXOOOR-LGMDPLHJSA-N	509.287	4.474	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1O	408754796	IPPNVOIMNUNQRZ-NTUHNPAUSA-N	524.165	4.291	10	40	KICB	
COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(OCC(=O)NC2CCCCC2)cc1	408785297	WDSMJBSUJKCYTM-ITYLOYPMSA-N	562.663	4.447	10	40	KICB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c(OCc2cccc([N+](=O)[O-])c2)c1	408812834	XICCDALUUSVVEH-LPYMAVHISA-N	501.495	4.466	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccc2c(c1)OCO2	408844212	CNWRNGRRWYQEMF-QGMBQPNBSA-N	524.888	4.462	10	40	KICB	
CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc1I	408904517	KTRHMWXWDUTXNV-LFIBNONCSA-N	506.365	4.084	10	40	KICB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccc5c(c4)OCO5)c(OC)c3)C2=O)cc1	408982523	HMLZTJALVIVGIV-MTJSOVHGSA-N	500.507	4.232	10	40	KICB	
COc1ccc(N2C(=O)/C(=C/c3cn(Cc4cccc([N+](=O)[O-])c4)c4ccccc34)C(=O)NC2=S)cc1	409010126	JQRQCMPQCVYENW-OEAKJJBVSA-N	512.547	4.438	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409050404	VIZGBXVTVZLTGX-PQNXSAFSSA-N	643.762	4.465	10	40	KICB	
COc1ccc2c(c1)c(=O)oc1c(C)c(O[C@H](C)C(=O)N[C@H](Cc3c[nH]c4ccc(O)cc34)C(=O)O)ccc12	2133552	XNBXGCIVUNNXBI-OYLFLEFRSA-N	530.533	4.030	10	40	KICB	biogenic
O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccc([N+](=O)[O-])cc1O	8819998	KEABIKBLOTYVIV-JAIQZWGSSA-N	515.569	4.429	10	40	KICB	
CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc(C(=O)O)c4)c(OC)c3)C(=O)NC2=S)cc1	9311375	NSXCZPBVUNHXKX-HYARGMPZSA-N	516.575	4.366	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(NC[C@H](O)c3ccccc3)nc12	13750453	KAUHXARLEODCBV-DZSVRRGNSA-N	518.620	4.143	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](c4cccc(Br)c4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1	101130268	JJYYJGBNPPQFRO-YTFSRNRJSA-N	574.383	4.321	10	40	KICB	
COC(=O)c1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)cc1OC	101574588	JOWZVNMRCQUNJP-HYARGMPZSA-N	543.532	4.004	10	40	KICB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C	223190883	JKJDUPOIXFAPIB-SVBPBHIXSA-N	533.698	4.191	10	40	KICB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5ccc([N+](=O)[O-])cc5C)c4C)c(=O)n32)cc1OCC	408932956	FZRRIISLBIBPHM-UBMKPUGCSA-N	616.696	4.440	10	40	KICB	
CCOc1cc(C=C2C(=O)N(c3ccc(OC)cc3)C(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)O	408994067	YGICDQQYNDJCTJ-UHFFFAOYSA-N	562.600	4.314	10	40	KICB	
COc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C(=O)NC2=S)cc1	409011336	HGFRCYLEUXMINN-OEAKJJBVSA-N	512.547	4.438	10	40	KICB	
CCOC(=O)[C@H](C)Oc1c(OCC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c1Br	409399680	LSCKEXHJSZJFIQ-RERGGYADSA-N	582.245	4.402	10	40	KICB	
CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)c1	1876618	LAXFUYDCYDGAKO-CPOKCXMASA-N	554.719	4.170	10	40	KICB	
Cc1cccc(CCN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC(C)(C)C)c2ccc(N3CCOCC3)cc2)c1	6442179	IHAWJUNWIHSGOR-WJOKGBTCSA-N	568.722	4.304	10	40	KICB	
COc1c(I)cc(I)cc1/C=C1\C(=O)NN(c2cccc(Cl)c2)C1=O	8456279	SVWIHVJGQHWUJQ-AWNIVKPZSA-N	580.547	4.019	10	40	KICB	
CN1C(=O)/C(=C\c2cn(CCOc3ccccc3F)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21	8777609	UUZYUAOMQXXEDT-BWAHOGKJSA-N	561.635	4.397	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(I)c1OC(C)C	408810349	MAPGNNVKKQIHMG-CXUHLZMHSA-N	520.323	4.062	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)cc4)c(OCC)c3)C2=O)cc1	408887573	RWMKLYJEEDTACP-XQNSMLJCSA-N	550.589	4.227	10	40	KICB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCC(=O)Nc4ccccc4)c3)C2=O)cc1OC	409247534	CWRYBKMIZJQEOI-KQWNVCNZSA-N	529.549	4.168	10	40	KICB	
O=C1[C@@H]2[C@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	100497476	OZGITDSQJXVSFG-ACRUOGEOSA-N	547.317	4.052	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1OC	100618559	PPBKMKBSRGJJCX-ZJTZAHLKSA-N	575.662	4.362	10	40	KICB	
CC(C)CCN1C(=O)/C(=C/c2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC1=S	100834567	BSMUGCBQRRZSEN-NKFKGCMQSA-N	533.723	4.264	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)ccc1OC(=O)c1ccc(C)cc1	408537803	XJJUZQKBEVDJHB-DEDYPNTBSA-N	582.350	4.494	10	40	KICB	
O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc(Br)cc1Cl	408684043	JHOQESDTEOYKQT-LVCYWYKZSA-N	545.817	4.147	10	40	KICB	
O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCCC3)cc2)C1=O)Nc1ccc(N2CCOCC2)cc1	408959798	GBOVINOPHKTIJW-MOHJPFBDSA-N	506.628	4.189	10	40	KICB	
COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1	409002847	BNEPZLCRTCTNPL-HYARGMPZSA-N	563.994	4.382	10	40	KICB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1	409399432	IPANLVKXLLMQQF-UNOMPAQXSA-N	541.301	4.240	10	40	KICB	
CC(C)(C)NC(=O)[C@@H](c1ccc(N2CCOCC2)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1F	6074563	NMDNWRSUJCADKE-MUUNZHRXSA-N	544.631	4.096	10	40	KICB	
CCOCCCN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4F)CC3)nc3c(C)cccn3c2=O)SC1=S	97947731	AYXLAXANDWNWRU-NKFKGCMQSA-N	567.712	4.096	10	40	KICB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c1C	223232976	HNAWRFWRRJJIEY-RPBOFIJWSA-N	508.648	4.330	10	40	KICB	
COc1cc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)cc(OC)c1OC	408529688	CXKUNWJVCSNZRN-UNOMPAQXSA-N	628.375	4.203	10	40	KICB	
COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(C)cc2)o1	409010957	GLCLPYCYLYZICE-KGENOOAVSA-N	510.543	4.083	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(Cl)cc4)c(OC)c3)C2=O)cc1	409067876	QKUBRSSPANHZNR-KGENOOAVSA-N	556.980	4.181	10	40	KICB	
COC(=O)c1c(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(OC)c4)C3=O)c2C)sc(C)c1C	409196812	ZCQBKSYYJNUYQT-RGVLZGJSSA-N	523.636	4.399	10	40	KICB	
COC(=O)COc1c(I)cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc1OC	409348546	OJODPLQRLHEROM-CXUHLZMHSA-N	559.378	4.397	10	40	KICB	
CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(OC)cc4[N+](=O)[O-])c3C)C(=O)NC2=S)cc1	409379256	WHATXLDYPJQYEJ-FYJGNVAPSA-N	504.568	4.405	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(=O)c1ccc2c(c1)OCO2	408537048	UKTSTNLGIVTUSE-YBFXNURJSA-N	534.908	4.353	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	408886321	JXWRFHJABZTDQH-FYJGNVAPSA-N	540.981	4.481	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c(Br)cc1OCc1cccc2ccccc12	408912623	RIKGTIBUCRBMEN-VCHYOVAHSA-N	511.397	4.446	10	40	KICB	
CC(=O)Nc1cc(N=Nc2cc(/N=N\c3cc(NC(C)=O)cc(S(=O)(=O)O)c3)c(N)cc2N)cc(S(=O)(=O)O)c1	1547138062	WNLRSKGBJFLFCB-HMLYWGRRSA-N	590.600	4.092	10	40	KICB	
O=C(NN1C(=O)c2cc(I)ccc2N[C@H]1c1c(O)ccc2ccccc12)c1ccncc1	2747268	XKPNUPLGUBPPMI-JOCHJYFZSA-N	536.329	4.457	10	40	KICB	
COc1ccc(N2CCN([C@H](c3cc4ccc(C)cc4[nH]c3=O)c3nnnn3C3CCCCC3)CC2)cc1	19940570	AFVWWLPDLGFJDG-HHHXNRCGSA-N	513.646	4.248	10	40	KICB	
CN(C)c1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc1	59678152	FELDJQVJDLYMHR-QTTRZTASSA-N	508.603	4.293	10	40	KICB	
CC1(C)C=C(CN2CCN(c3ccccc3)CC2)c2cc(F)cc3c2N1C(=O)/C3=C1\SC(=S)NC1=O	1554503293	UHHRZZNLPKOXGR-LNVKXUELSA-N	520.655	4.029	10	40	KICB	
O=C(CCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)Nc1ccc(O)c(C(=O)O)c1	2454629	FDPTVQBQJFRKTO-SXGWCWSVSA-N	507.387	4.083	10	40	KICB	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-n1c(C)cc([C@H]2NC(N)=Nc3nc4ccccc4n32)c1C	12578074	WLYLHUMHAGMKDB-VWLOTQADSA-N	517.659	4.023	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc1	408809180	KNQPTIVZCMHGLH-HYARGMPZSA-N	535.350	4.481	10	40	KICB	
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc6c(c5)OCO6)c4C)c(=O)n32)cc1	408988968	SUSAHABDTLMETA-ZTJHJZSNSA-N	585.682	4.332	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(C)=O)cc4)c3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409035218	PDQORUMSPHQYEA-FPWMYLJGSA-N	671.772	4.359	10	40	KICB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)O)c(OCC)c3)C2=O)cc1OCC	409190126	KZACICJOGTUXML-VCHYOVAHSA-N	560.987	4.052	10	40	KICB	
O=C1c2ccc(S(=O)(=O)O)cc2C(=O)c2c(Nc3ccccc3)ccc(Nc3ccc(S(=O)(=O)O)cc3)c21	4522856	ZHKAOCCDESRMIJ-UHFFFAOYSA-N	550.570	4.443	10	40	KICB	
CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCN(c4ccc(OC)cc4)CC3)cc2c1	6133908	YFZWSGSZFYBLIE-NDEPHWFRSA-N	543.672	4.339	10	40	KICB	
Cc1ccc(C)c(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCc2ccccc2)c2ccc(N(C)C)cc2)c1	6195598	XKHORDLIDVGERG-AREMUKBSSA-N	556.692	4.212	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1	409021797	YYXBEZZZHWMAKY-ITNPZBTBSA-N	659.761	4.327	10	40	KICB	
CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1Br	409106036	LSONOEOCBIYOKN-BVTUPMQUSA-N	519.417	4.475	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc(I)c1O	409247627	DWLCQNLKJYSNCW-CXUHLZMHSA-N	536.391	4.350	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409364371	PGUWSOGLWMTTKA-JMIUGGIZSA-N	674.379	4.421	10	40	KICB	
CCOC(=O)[C@H]1CCCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(C3CCCCC3)C2=O)C1	97957606	ACRKWKGQLPVWIA-CQHJRZBDSA-N	540.711	4.316	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](c4cccc(Br)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	100413942	JJYYJGBNPPQFRO-VABKMULXSA-N	574.383	4.321	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OC(=O)c1ccc(OC)cc1	408528437	BGECSTPXDYEIBY-XMHGGMMESA-N	504.470	4.119	10	40	KICB	
CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Br)c2)S1	408529404	HSJZPXKKZOGDES-MFOYZWKCSA-N	508.781	4.226	10	40	KICB	
COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1	409021028	XAKBWIQYNYBBTA-OEAKJJBVSA-N	533.968	4.374	10	40	KICB	
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)c(Br)c1	409069698	XEPPRROCRJXBOJ-LDADJPATSA-N	545.342	4.022	10	40	KICB	
COc1ccc(N2CCN(C(=O)CN(c3ccc(C)c(C)c3)S(=O)(=O)c3cc(C)ccc3OC)CC2)cc1	409392577	RPZXBCPHZUOMDH-UHFFFAOYSA-N	537.682	4.173	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1	8407173	HKIGSXFSNOQCQI-VVOOWDFBSA-N	635.378	4.398	10	40	KICB	
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1OCc1cccc(F)c1	59139789	AIVLJEVHXNYQID-UHFFFAOYSA-N	507.381	4.165	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)(C)C)cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	59418531	FXWACXPCWUBIRG-PBMMVTTKSA-N	503.668	4.162	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(Br)cc1O	101549662	KMHVPGRALVKQAV-ZDLGFXPLSA-N	532.441	4.367	10	40	KICB	
COc1ccc(Cl)cc1-n1c(C)cc(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)c1C	103136262	YPAQJVFBAUEUOZ-UHFFFAOYSA-N	554.452	4.455	10	40	KICB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(I)c1OCc1ccc(Cl)cc1Cl	103760728	YFWXVKYFNJKYSH-UHFFFAOYSA-N	577.227	4.490	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCC)c(OC)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	105499609	ZLKCSIVQLOZNKI-FCKOQQNDSA-N	600.535	4.034	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	408878600	AXMWFNGAWIKRFU-UDWIEESQSA-N	526.954	4.091	10	40	KICB	
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1	408887745	SWGZZYGSMFXFGG-LFVJCYFKSA-N	557.540	4.491	10	40	KICB	
CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1	409015203	YXEQDDUKVFGOMD-CIAFOILYSA-N	551.459	4.239	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1	409015989	ABCCEFVBPQOHJQ-PYCBVSLESA-N	630.767	4.298	10	40	KICB	
CCc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3OCc3cccc(C(=O)O)c3)C(=O)NC2=S)cc1	409376652	CFYOTYXZDWMPRQ-PXLXIMEGSA-N	516.575	4.366	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	408954668	SGDONSRYJHZDGG-DJKKODMXSA-N	608.401	4.179	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(Cl)cc1	409073030	WWNVZCCVWKAAPJ-KGENOOAVSA-N	556.980	4.181	10	40	KICB	
COc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)cc2OC)cc1	409266914	YZYFOBCJTGNASA-UUMRFZBWSA-N	514.625	4.102	10	40	KICB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4F)cc3)C2=O)cc1OC	409388106	UGSQGGBPTYDKIW-QNGOZBTKSA-N	547.539	4.307	10	40	KICB	
COC(=O)c1ccc(C(=O)OC)c(N=NC(=O)[C@H](Nc2ccc(N[C@H](C(C)=O)C(=O)N=Nc3cc(C(=O)OC)ccc3C(=O)OC)cc2)C(C)=O)c1	2356096477	JESXXRGFFLPJKL-VSGBNLITSA-N	716.660	4.193	10	40	KICB	
CN1C(=O)C(=Cc2cn(CCOc3ccccc3F)c3ccc(Br)cc23)C(=O)N(C)C1=O	59087262	ACYVSOPHTSEPFR-UHFFFAOYSA-N	500.324	4.056	10	40	KICB	
O=C1C[C@H](c2ccc(O)cc2)Oc2c1c(O)cc(O)c2[C@H]1C(=O)c2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1	229757008	BTRRHXATSDHYNW-KBKXWFDOSA-N	558.495	4.433	10	40	KICB	biogenic,in-vitro
CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(CNS(=O)(=O)c4ccc(Cl)cc4)o3)C(C(=O)OC)=C2C)cc1	408845574	GPGPKFZTNYPCGJ-BUVRLJJBSA-N	585.034	4.465	10	40	KICB	
CCOc1ccc(N(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408920990	QKNVEIOVSHNAOM-UHFFFAOYSA-N	544.073	4.291	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OC	408990416	VRYIEBMBGFSMOG-RGFRMHDHSA-N	585.682	4.001	10	40	KICB	
CCOC(=O)COc1ccc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1OCC	409342419	FZYNWDVWWHJFDA-JJFYIABZSA-N	544.695	4.476	10	40	KICB	
CN1C(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)C(=O)NC1=S	9907602	BZJJVSXXNFWSDJ-RIYZIHGNSA-N	510.207	4.047	10	40	KICB	
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)C(=N)N21	20205969	FJJAXHYZKNRZOE-YXZMWACZSA-N	509.396	4.194	10	40	KICB	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cn(CCOc4ccccc4C)c4ccccc34)C(=N)N21	20206511	RCOWLUYQZGGBOP-OQZKWKKUSA-N	521.624	4.040	10	40	KICB	
Cc1cccc(OCCCOc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2Cl)c1	97964454	GQWFNOGXNWODNI-NWSLSDTJSA-N	533.031	4.118	10	40	KICB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(Br)cc(I)c1O	100455587	MVPIAHGQQIHWIN-SDQBBNPISA-N	547.530	4.079	10	40	KICB	
CCOC(=O)c1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]23)cc1	169617286	QEPAUKLNPDFOAU-DNVJHFABSA-N	529.932	4.212	10	40	KICB	
COC(=O)c1cccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccc(OC)cc4)C3=O)c3ccccc32)c1	408544454	WDACDLIWAJIGDK-BUVRLJJBSA-N	525.586	4.316	10	40	KICB	
CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C(=O)NC2=S)c1	408742466	REZBAIHSAJZXHS-LPYMAVHISA-N	533.562	4.412	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4)c(Br)c3)C2=O)cc1	409041146	IPAVBXJCGFNLJF-DEDYPNTBSA-N	550.365	4.142	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1	409055341	KYWIIVPESKYSJG-OWXSRONMSA-N	522.070	4.360	10	40	KICB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)cc3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409103360	YCYTVTHWVLKTBO-LAUBZIAYSA-N	574.747	4.029	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(C(=O)O)o1	409386669	WKAJDXPKLBNLPG-RQZCQDPDSA-N	512.927	4.050	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409406155	JOBDJTJMRXRJTM-NDENLUEZSA-N	509.921	4.357	10	40	KICB	
COc1ccc(N2C(=O)/C(=C\c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)C(=O)NC2=S)c(OC)c1	9263190	GKZVYUJPEPDXTB-YBEGLDIGSA-N	512.927	4.147	10	40	KICB	
O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)Nc3cccc(C(=O)O)c3)C2=O)SC1=S)Nc1cccc(C(=O)O)c1	56683789	PRZUGJAVEHTUSI-QURGRASLSA-N	672.788	4.153	10	40	KICB	
CN1C(=O)[C@]2(c3cc(Cl)ccc31)N(C)C[C@@H](c1ccccn1)[C@@]21SC(=S)N(Cc2ccccc2)C1=O	102899105	ZBUYIQUXICGXFL-RZDWPUGNSA-N	535.094	4.435	10	40	KICB	
O=C1[C@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@@H](c1cccc(Br)c1)OC21C(=O)c2ccccc2C1=O	169616997	AOSXLTXVKBUZQN-NJDAHSKKSA-N	547.317	4.052	10	40	KICB	
CCOC(=O)COc1cc(Br)c(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC	408984674	SLAANMUYEYCCSN-CHHVJCJISA-N	551.777	4.028	10	40	KICB	
COc1ccc(CN2C(=O)/C(=C/c3c(NC[C@@H]4CCCO4)nc4ccc(C)cn4c3=O)SC2=S)cc1	16734606	SYVKXEWJRLUBFL-VFAFIFLJSA-N	522.652	4.004	10	40	KICB	
COc1ccc(/C=C2\SC(=S)N(CCC(=O)N(Cc3ccc(Cl)cc3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1	97947424	XQJHKYRIELVDEX-ALFKQNEGSA-N	565.138	4.156	10	40	KICB	
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c2=O)=N1	409029863	CQZBCQHQLMYRJV-OCEWKHMESA-N	542.617	4.114	10	40	KICB	
COc1cccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c1OCc1ccc(C(=O)O)cc1	409188481	ZRAFNMFQEZNDMS-UDWIEESQSA-N	522.966	4.457	10	40	KICB	
COc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCC(=O)N4CCOCC4)c(OC)c3)SC2=S)cc1	409236835	HISQDVBEFRSZFK-MOSHPQCFSA-N	579.494	4.110	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	409252860	FHZDWSVABXNIHQ-NHDPSOOVSA-N	594.418	4.464	10	40	KICB	
Cc1cc(C(=O)COC(=O)[C@@H](NC(=O)c2ccc(F)cc2)C(C)C)c(C)n1-c1ccc2c(c1)OCCO2	2637210	PHFDKDVLZFEOAM-SANMLTNESA-N	508.546	4.185	10	40	KICB	
COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C(=O)NC2=S)cc1	6645257	OFHWVZMLWAPKIE-BOPFTXTBSA-N	528.340	4.457	10	40	KICB	
COc1cc(OC)c(CN2C(=O)c3ccccc3C2=O)cc1/C=C1/C(=O)N(c2ccccc2)C(=S)N=C1O	97970710	JSTDLNUYRZIXAW-FYJGNVAPSA-N	527.558	4.172	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	100219341	DGKVVWYUCXUTNL-NULZLWRNSA-N	615.708	4.311	10	40	KICB	
COc1ccc2c(c1)C=C[C@H]1N2[C@H](C(C)=O)[C@H](C(=O)c2cc(OC)c(OC)c(OC)c2)[C@]12C(=O)Nc1ccccc12	103533130	MHZHCDFGVJPVLG-RBUURGHLSA-N	554.599	4.283	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OC(C)C	408903341	RCYYDQNTWUNZCZ-CXUHLZMHSA-N	538.313	4.283	10	40	KICB	
COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4ccccc4C(=O)O)c3C)C2=O)cc1	409203761	XVBRMOIBLQCCGJ-XKZIYDEJSA-N	505.552	4.476	10	40	KICB	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NS(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1	59929282	UEKKKWBUZZKWCW-DEOSSOPVSA-N	548.492	4.240	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(Br)c(Br)c1O	101743767	INALQNRLHLELLV-KPKJPENVSA-N	540.233	4.374	10	40	KICB	
O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc(Br)c(Cl)c1	408677980	BDSZKPQPXMNUFU-WFXMLNOXSA-N	545.817	4.147	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCC)cc3Br)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	408725387	HTSYQDHMLIBRRV-AQIZGWBQSA-N	600.535	4.034	10	40	KICB	
COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(Br)ccc1OC	408892226	HKHHAXJNJLGDAN-RGEXLXHISA-N	516.388	4.390	10	40	KICB	
Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]23)cc1	100366473	IJOBVPOSOHDULB-BHIFYINESA-N	516.347	4.453	10	40	KICB	
COC(=O)c1ccc(C(=O)OC)c(N/C(C)=C2\C(=O)N(c3ccc(OC)cc3)N=C2c2ccc(OC)cc2)c1	103922819	LTEUMMODEBVQJD-UQQQWYQISA-N	529.549	4.414	10	40	KICB	
CN1C(=O)C(=Cc2cc(I)c(OCc3ccccc3)c(I)c2)C(=O)N(C)C1=S	164425923	NCWGTIUDWHPQEA-UHFFFAOYSA-N	618.234	4.074	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCC	408778550	HAGFYKDWZDVCTR-OQLLNIDSSA-N	540.741	4.408	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1	408917472	VCNLJSSMTFFVNH-ODLFYWEKSA-N	631.423	4.288	10	40	KICB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5cccc([N+](=O)[O-])c5)c4C)c(=O)n32)cc1OCC	408943838	ZDXLMRXTNDLCAZ-OYBDOCOOSA-N	602.669	4.131	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	409024440	SMRWYZJREPBLDF-PYCBVSLESA-N	600.741	4.289	10	40	KICB	
COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c(=O)n32)cc1	409093199	YAQYJALZQMXRSY-CVXGXVHTSA-N	595.681	4.391	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(OCC(=O)Nc4ccccc4C)c(OC)c3)C2=O)cc1	409265890	WSKJACNHOLZCEY-NDENLUEZSA-N	622.428	4.237	10	40	KICB	
CCc1nnc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(C(=O)OC)cc3)SC2=S)s1	8820106	ZKVGLJRCASLJEA-SSZFMOIBSA-N	504.659	4.287	10	40	KICB	
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCN3C(=O)/C(=C/c4ccc(Cl)cc4)SC3=S)cc2)nn1	102579615	GNSDQDOHIGGKQI-RGEXLXHISA-N	590.108	4.169	10	40	KICB	
COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)[C@@H](C(=O)c2cc(OC)ccc2OC)[C@@]12C(=O)Nc1ccccc12	503924649	PCBLPBFRJXVKJK-JGLCYXNFSA-N	524.573	4.275	10	40	KICB	biogenic
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCOCC3)cc2)c2ccc(Cl)cc2C)cc1	13670207	MVUAYIMOWFJELN-UHFFFAOYSA-N	528.074	4.305	10	40	KICB	
COc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]23)cc1OC	100562392	XELDITCAKQZYMP-RJGXRXQPSA-N	562.372	4.161	10	40	KICB	
CCOC(=O)c1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]23)cc1	102687839	RFWAFXINYQOYHJ-YTFSRNRJSA-N	529.932	4.212	10	40	KICB	
CN1C(=O)C(=Cc2cc(Br)c(OCc3ccc4c(c3)OCO4)c(Br)c2)C(=O)N(C)C1=S	103856197	NJPHOUKRJSBJQJ-UHFFFAOYSA-N	568.243	4.118	10	40	KICB	
COc1ccc(N2CCN(C(=S)NC(=O)c3ccc(-c4ccc(Br)cc4)o3)CC2)c([N+](=O)[O-])c1	105303588	GLTILWDSPDIXPN-UHFFFAOYSA-N	545.415	4.463	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	408903764	YOHXNQIZLXEYSP-LICLKQGHSA-N	539.298	4.220	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1	409072022	UGEXAVPHIQPQFB-DEDYPNTBSA-N	575.382	4.214	10	40	KICB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1ccc(Cl)cc1	409105462	JWSHJYIQHNZNRB-OCEWKHMESA-N	553.128	4.309	10	40	KICB	
COc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)C1=O	409244646	GUBCBMYFNRZJIC-BKUYFWCQSA-N	523.387	4.397	10	40	KICB	
CCc1ccc(N2C(=O)/C(=C/c3cc(I)c(OC(C)C)c(OC)c3)C(=O)NC2=S)cc1	409378836	SFIJUHIKQCNUMT-LICLKQGHSA-N	550.418	4.481	10	40	KICB	
O=C(COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Br)Nc1ccccc1F	409380569	NONASDNXFRJZHT-ATVHPVEESA-N	554.397	4.437	10	40	KICB	
CCOC(=O)[C@H](C)Oc1c(OC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c1Br	409401542	YZUORHUSXMIMLV-GQVHDAKQSA-N	568.218	4.012	10	40	KICB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	8437853	HCVARBMPIHITMG-FSFYKJEYSA-N	632.536	4.493	10	40	KICB	
CCCCCCN1C(=O)/C(=C/c2c(N3CCC(C(=O)OCC)CC3)nc3ccccn3c2=O)SC1=S	9374459	OYXOGHPMHBJTHF-JZJYNLBNSA-N	528.700	4.256	10	40	KICB	
COc1ccc(N2CCN(c3ncnc4sc(C(=O)N5CCN(c6ccc(F)cc6)CC5)c(C)c34)CC2)cc1	97985373	UMWLEPHQRCIQNB-UHFFFAOYSA-N	546.672	4.436	10	40	KICB	
COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc([N+](=O)[O-])ccc2OC)c1C	223728510	RUHIOJWBAWEPHE-RPBOFIJWSA-N	523.615	4.332	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	408695774	YZTZQOJJFJHWEO-VCHYOVAHSA-N	560.376	4.019	10	40	KICB	
Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1	408888567	XFFWGZSMFFXSNY-XMHGGMMESA-N	510.955	4.391	10	40	KICB	
COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1	409006276	ZVZKFJJLEGJVJF-OEAKJJBVSA-N	549.967	4.074	10	40	KICB	
COC(=O)COc1ccc(Br)cc1/C=C1/SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O	409352712	YRLPQKDIOIXHNZ-CXUHLZMHSA-N	541.832	4.201	10	40	KICB	
CC(=O)Nc1ccc(/C=C2\SC(=O)N(CCN3C(=O)S/C(=C/c4ccc(N(C)C)cc4)C3=O)C2=O)cc1	8387457	PLVARDSYVMFTFA-BILXGNRESA-N	536.635	4.484	10	40	KICB	
CCOC(=O)COc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1OC	8860798	JWWGVZUKLDQIPH-UHFFFAOYSA-N	516.575	4.385	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)ccc1OCc1ccc(C(=O)O)cc1	15223747	IOCYAEVHWDNPRA-BKUYFWCQSA-N	500.507	4.256	10	40	KICB	
CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409023933	FPOZBCUJXIKCMM-ZDLGFXPLSA-N	520.361	4.441	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OS(=O)(=O)c1ccccc1	409069355	XIUUBRCBOJVKDE-YBFXNURJSA-N	663.402	4.032	10	40	KICB	
COC(=O)COc1ccc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1	409370798	DZHMBXCLFJUHSS-PXNMLYILSA-N	512.396	4.483	10	40	KICB	
CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1	10113370	CFKBZSCWWNFBNU-UHFFFAOYSA-N	514.047	4.073	10	40	KICB	
COCCN1C(=O)/C(=C\c2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)SC1=S	97957608	SOBGKUSMLSWKGC-FOWTUZBSSA-N	518.414	4.097	10	40	KICB	
CN1CCN(c2ccc(/C=C(/Sc3nc(-c4ccc(Cl)cc4)n[nH]3)C(=O)O)cc2[N+](=O)[O-])CC1	408634095	OWQOEKFILMEINI-CPNJWEJPSA-N	500.968	4.003	10	40	KICB	
COCCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(C(=O)O)c3C)c2C)C(=O)N(c2ccccc2)C1=O	409011462	GSDCASAMBGZNJA-KQWNVCNZSA-N	501.539	4.126	10	40	KICB	
Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1	409041136	IMTIURLLXVUZFS-FYJGNVAPSA-N	550.365	4.147	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)cc(Br)c1OCC(=O)OC	409196561	PKRCPTIQYFAILA-YVLHZVERSA-N	525.446	4.355	10	40	KICB	
COc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4Br)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	100124928	NPKNPXIUMNKCIR-FKBYEOEOSA-N	532.346	4.153	10	40	KICB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccccc1C(=O)O	103860347	XFEGJGXVJQYUQW-XDHOZWIPSA-N	524.396	4.386	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc(I)c1OCc1ccccc1F	408945771	XHICHLBSRZSUFM-VCHYOVAHSA-N	616.339	4.383	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCC(=O)Nc1ccccc1	409056968	NXNBYIRLRWSXFC-UDWIEESQSA-N	519.941	4.341	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	409076134	YFSDGGRTJOZQQO-YBFXNURJSA-N	589.395	4.339	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409350238	RFHPOMIGUHNHJY-JAIQZWGSSA-N	591.670	4.287	10	40	KICB	
CC[C@H](C)N1C(=O)/C(=C/c2c(N3CCN(c4ccccc4)CC3)nc3ccccn3c2=O)SC1=S	1449946	IUHITAKGNVFRGX-HGBKYHTQSA-N	505.669	4.021	10	40	KICB	
COc1ccc(CCOc2ccc([C@@H](CC(=O)NCCc3ccc(O)c(O)c3)c3c(O)n4ccccc4nc3=O)cc2OC)cc1	230473095	UPBVMRBBGCYJHZ-AREMUKBSSA-N	625.678	4.331	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409050403	VIZGBXVTVZLTGX-DJPQNNMESA-N	643.762	4.465	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccccc1	409074685	UQFUJOOBRFRJJC-XDHOZWIPSA-N	616.402	4.190	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCC(=O)N1CCOCC1	409352655	XRQVXAWWHGBYNK-HMAPJEAMSA-N	530.693	4.451	10	40	KICB	
CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)CC1	97947664	ZBBVBZMCSDVFCZ-NMWGTECJSA-N	577.732	4.115	10	40	KICB	
COc1ccccc1OCCOc1c(I)cc(/C=C2\SC(=S)NC2=O)cc1OC	100269644	BTPAGDPGTIFXKL-BOPFTXTBSA-N	543.404	4.255	10	40	KICB	
COc1cccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]23)c1	100542058	DXGIDUPULYCHNC-BHIFYINESA-N	532.346	4.153	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1O[C@H](C)CC	408950400	JUQXOZSIOFGZED-WJHGTXIHSA-N	531.359	4.420	10	40	KICB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3c(C)n(CC(=O)Nc4cccc(F)c4)c4ccccc34)C2=O)o1	409399624	KFYUZMSKERGPKR-XKZIYDEJSA-N	530.512	4.200	10	40	KICB	
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)C(F)(F)F)c3ccccc32)S1	6190983	HUDCWZCQFBYBPZ-UHFFFAOYSA-N	503.545	4.450	10	40	KICB	
COc1ccc(N2CCN(C(=S)NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)CC2)c([N+](=O)[O-])c1	8832695	IYKHRLZMKIPXIB-UHFFFAOYSA-N	500.964	4.354	10	40	KICB	
COc1ccc(N2CCN(c3nc(C)c4c(n3)C[C@H](c3cc(OC)c(OC)c(OC)c3)CC4=O)CC2)cc1	20101914	HVKRGVAXLSEEOI-IBGZPJMESA-N	518.614	4.059	10	40	KICB	
O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)c(N2CCCC2)o1	103875766	CVOBEQRBCIGGEJ-NTEUORMPSA-N	525.222	4.236	10	40	KICB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC	409107596	WXDBDACHCWQDIG-PQRKSKNISA-N	598.725	4.218	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc(I)c1OC	409243702	ZPWWMDGATOWQRL-CXUHLZMHSA-N	536.391	4.263	10	40	KICB	
CCOC(=O)Cn1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc21	2298189	OHNYAZPKPWWAJZ-GDNBJRDFSA-N	502.379	4.343	10	40	KICB	
CC(C)OCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(F)cc2)C1=O	13713435	KAHDKLHFNRYPIR-ZHZULCJRSA-N	512.632	4.462	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)ccc1OCc1cccc(C(=O)O)c1	59303294	ZUWUTGSGAYLTPD-DEDYPNTBSA-N	502.548	4.112	10	40	KICB	
CC(=O)C(C(C)=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1NS(=O)(=O)c1ccc(C)cc1	100511765	CWKKKKGEKQZBJX-UHFFFAOYSA-N	514.625	4.167	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(NCCCN3CCOCC3)nc12	100774554	WHZQAKMTFFTIGQ-IRJMIRDBSA-N	549.722	4.100	10	40	KICB	
CCOc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC	103858127	AAUIYOWPLBZYGN-ZSOIEALJSA-N	571.165	4.127	10	40	KICB	
COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c1OC	408760022	QBZIUKHPWBVAGV-RIYZIHGNSA-N	571.165	4.046	10	40	KICB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(I)c(O)c(I)c1	408901365	DOXGOKIEVAZXNG-NTUHNPAUSA-N	530.103	4.408	10	40	KICB	
COC(=O)c1ccc(-n2c(C)cc(/C=c3/sc4n(c3=O)[C@@H](c3ccc(OC)cc3)C(C(=O)OC(C)C)=C(C)N=4)c2C)cc1	408982164	IQXWCUGLRXFSBG-HRIDGTDGSA-N	599.709	4.390	10	40	KICB	
Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccc(N4CCCCC4)cc3)Oc3ccccc32)cc1	10113212	GRIONHOSWWJWAP-MHZLTWQESA-N	505.640	4.258	10	40	KICB	
Cc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c(C)n1-c1cc(Cl)ccc1Cl	101227909	XTKOJWBDRMVKPH-QAUTUDTGSA-N	545.452	4.269	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccccc1F	408887609	PJAOMKYWOCFUER-UDWIEESQSA-N	505.458	4.378	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1cccc(C(=O)O)c1	408953231	PGUKZLJOTRPCPE-QGMBQPNBSA-N	595.358	4.130	10	40	KICB	
CCOc1cccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c1OCC(=O)O	409196973	YOLMKKYETJWVBQ-UHFFFAOYSA-N	502.548	4.297	10	40	KICB	
Cc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O	409273283	WWUJNSQLOAFFJX-NDENLUEZSA-N	579.363	4.350	10	40	KICB	
Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4Br)C(=O)[C@@H]23)cc1	18284562	OOANICOMFJQBMH-BHIFYINESA-N	516.347	4.453	10	40	KICB	
CCOc1ccccc1N(CC(=O)NCc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc(SC)cc1	113624615	OZLZUZGTDBUEBW-UHFFFAOYSA-N	555.722	4.156	10	40	KICB	
Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2	150357800	MOJZMWJRUKIQGL-CVLUQLJESA-N	866.781	4.444	10	40	KICB	biogenic,in-vitro
CCc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\NN2C(=O)c3cccc4c(N5CCCCC5)ccc(c34)C2=O)C1=O	408526684	DAKYDUOLHWSDEM-CJLVFECKSA-N	616.472	4.423	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)c(=O)n2[C@@H]1c1cccc(OC)c1	408986838	POCOFCMKKQKXRA-XQNWCSQWSA-N	585.682	4.001	10	40	KICB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(OS(=O)(=O)c2ccc(Cl)cc2)c1	409065351	KVANGHZOUNPJCO-MOSHPQCFSA-N	517.346	4.428	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl	409255888	LPGZEVLOSWUMEK-AQTBWJFISA-N	505.914	4.033	10	40	KICB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3c(C)n(CC(=O)Nc4ccccc4C)c4ccccc34)C2=O)o1	409400350	OXRCGEZBAYZQDA-UCQKPKSFSA-N	526.549	4.369	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCc1ccc(C(=O)O)cc1	409408443	QRZJSCURZDGMJF-NDENLUEZSA-N	584.366	4.429	10	40	KICB	
N=C1/C(=C/c2ccc(OS(=O)(=O)c3ccccc3)c(Cl)c2)C(=O)N=C2SC(c3cccnc3)=NN12	101204559	LNPGNOMCTDCNJF-MPZQNCSBSA-N	523.983	4.170	10	40	KICB	
COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(I)c1OCc1ccc(Br)cc1	103856653	RNIAEBKODGIXKC-UHFFFAOYSA-N	601.260	4.240	10	40	KICB	
CCOC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OCC	164469728	JXABUANXNJFVJK-CXUHLZMHSA-N	643.228	4.061	10	40	KICB	
O=C1NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C(=O)/C1=C\c1cc(Br)ccc1OC(=O)c1ccc2c(c1)OCO2	408536536	RVLZBWJRWCIDGM-YPJRXMQWSA-N	553.365	4.047	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4Br)cc3)C2=O)cc1	408869247	QAZDZICKWBCKPR-RCCKNPSSSA-N	519.351	4.493	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409224916	NQLCVSDMVDMIEK-LPYMAVHISA-N	683.455	4.469	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCC(=O)Nc3cc(C)ccc3C)C2=O)cc1	409253785	VHBIZQBEOROBRP-XQNSMLJCSA-N	513.550	4.386	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409256226	KRRKLJDOURPXAD-SXGWCWSVSA-N	511.394	4.445	10	40	KICB	
CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C2=O)cc1	409343502	HHUCYKYIXSFNSV-HMAPJEAMSA-N	510.572	4.230	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409371270	BVADQXYUMHNDJX-VXLYETTFSA-N	568.380	4.039	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCC(=O)Nc3ccccc3OC)C2=O)cc1	409381661	VIRZXKQJWWPVDL-XSFVSMFZSA-N	535.940	4.041	10	40	KICB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)c(OCc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1	409401771	ZUAMHKAMPFYOTB-IUXPMGMMSA-N	538.310	4.126	10	40	KICB	
CC(=O)c1cccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC(C)(C)C)c2ccc(N3CCOCC3)cc2)c1	6074229	ANBUBTAKFHNTAW-SSEXGKCCSA-N	568.678	4.160	10	40	KICB	
CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	100415005	PBDLFARXVVBXFR-XPWALMASSA-N	559.372	4.103	10	40	KICB	
COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cc([N+](=O)[O-])ccc3O)C2=O)cc1	101007127	RAVOYMQMMIDXIF-MOSHPQCFSA-N	529.596	4.487	10	40	KICB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C	223190718	JKJDUPOIXFAPIB-KAYWLYCHSA-N	533.698	4.191	10	40	KICB	
COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1I	408772290	NSCMDCGONSWBBD-NTUHNPAUSA-N	541.139	4.037	10	40	KICB	
COc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C(=O)NC2=S)c(OC)c1	409119044	QXEZEVAOEZSFOY-LPYMAVHISA-N	542.573	4.446	10	40	KICB	
COc1cc(/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	2283563	UPLJYZMLRKLEOP-XNHPLOEXSA-N	500.554	4.203	10	40	KICB	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C2/C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1	408529773	DCYZMGMXRMXVBL-OYWQSQFLSA-N	539.382	4.327	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(Br)c(Br)c1O	408842711	ASFNCMRTBDAGHP-NTUHNPAUSA-N	524.165	4.209	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OC	409017835	QOPYXKKKNBYGRL-NNAGEYCMSA-N	570.715	4.280	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(C)c4)c(OC)c3)C2=O)cc1	409042741	OQHCDMQUYJLCOF-HAHDFKILSA-N	529.549	4.086	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OS(=O)(=O)c1ccc(Cl)cc1	409068609	HIRJZDCNGPVCEE-FYJGNVAPSA-N	540.981	4.400	10	40	KICB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409097849	JNTHOAITHOXGNL-HDFSHUSISA-N	574.747	4.029	10	40	KICB	
Cc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)c2)cc1Cl	409271202	KJYVGPVKIFVTJM-BKUYFWCQSA-N	505.983	4.497	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(OC)cc1	409370147	LXHYMZPVRSKXOJ-LPYMAVHISA-N	579.993	4.440	10	40	KICB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1ccc2c(c1)OCO2	409409448	VIXAPKFJBIHJJK-NVMNQCDNSA-N	523.339	4.227	10	40	KICB	
Cc1cc(C)cc(OCCOc2ccc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)cc2)c1	101135787	ISMBIVXRFFODAM-AQQGHWPGSA-N	531.638	4.393	10	40	KICB	
COc1ccc(N2CCN(C(=O)CN(c3cc(C)cc(C)c3)S(=O)(=O)c3cc(C)ccc3OC)CC2)cc1	106116965	XGSGLCCKVMTWLT-UHFFFAOYSA-N	537.682	4.173	10	40	KICB	
Cc1c(NC(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)ccc(Br)c1Cl	408691348	ZLMMQIWJJMVWHT-LVCYWYKZSA-N	559.844	4.455	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc(Br)c1OC	408739895	BOHMZRHGRCXVPN-MLPAPPSSSA-N	526.206	4.060	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC(C)C)c(Br)c3)C2=O)cc1	408811787	RRTFHNVLMHYAHG-GZTJUZNOSA-N	501.333	4.079	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	408901985	DGRKDQRJXYVCCT-RGVLZGJSSA-N	537.931	4.480	10	40	KICB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	409105467	HUWYBMFNFHYUFG-OKGRRGNVSA-N	535.113	4.357	10	40	KICB	
O=C1/C(=C/c2c(N3CCc4ccccc4C3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc2c(c1)OCO2	1294812	JEHYHGISMGPFFE-OYKKKHCWSA-N	554.653	4.387	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccccc1	6226516	NWGRYSIRFIJAJY-OCEWKHMESA-N	542.617	4.114	10	40	KICB	
COc1ccc(CN(CC(=O)O)C(=O)[C@@H](CC(=O)OC(C)(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)c(O)c1	71788157	XDJHXXOYIQLAEM-HHHXNRCGSA-N	604.656	4.453	10	40	KICB	
CCN(CC)c1ccc(C(c2ccc(N(CC)CC)cc2O)c2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)c(O)c1	105965358	QTURCYIFHGKXSB-UHFFFAOYSA-N	578.709	4.464	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	408915120	UYVIKIGFLXMTOV-CIAFOILYSA-N	505.458	4.378	10	40	KICB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)C1=O	409380935	CGIQAJMCGKZBTF-SFQUDFHCSA-N	507.905	4.471	10	40	KICB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCc1ccc2c(c1)OCO2	409404566	DSHYYLRTZJTTOQ-ZDLGFXPLSA-N	523.339	4.227	10	40	KICB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(C)n1-c1ccccc1	1410470	RKFLIVUXOJUKBK-XIEYBQDHSA-N	500.624	4.479	10	40	KICB	
CCc1cc(Br)ccc1NC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O	408682798	GXGHRQKLJWXTSF-FUDKSRODSA-N	539.426	4.056	10	40	KICB	
COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NC(C)C)cc1	408772627	PYSKXKMZDJQUDA-BKUYFWCQSA-N	513.388	4.230	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1	408809965	OPHILOQGKSBVRV-OEAKJJBVSA-N	517.494	4.248	10	40	KICB	
COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)NCc2ccco2)cc1	408874306	BAUSLJSEBDEBJW-UFAQQFSPSA-N	500.551	4.409	10	40	KICB	
COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1OCC(=O)Nc1ccccc1	408903784	YZNVFZKOTQALOO-XSFVSMFZSA-N	550.365	4.142	10	40	KICB	
COc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(Br)cc3)C(=O)NC2=S)c(OC)c1	409093538	AMADQZBXRKCSFO-LDADJPATSA-N	512.385	4.088	10	40	KICB	
COc1cc(/C=C2\SC(=S)NC2=O)cc(I)c1OCC(=O)Nc1cccc(Cl)c1	409221533	RPUFMVBVPIJMGU-CHHVJCJISA-N	560.822	4.460	10	40	KICB	
COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccc(O)c(O)c2)cc1OC	902663	DZCRYYIBLOIKTB-LJAQVGFWSA-N	559.623	4.083	10	40	KICB	
O=C1[C@H]2[C@@H](C(=O)N1c1cccc(F)c1)[C@H](c1ccc(Br)cc1)OC21C(=O)c2ccccc2C1=O	100497499	DPRQIIZNCASZHQ-NJYVYQBISA-N	520.310	4.283	10	40	KICB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1ccc(N2CCOCC2)cc1	223213000	UIGWRYPKELIHSM-VSGBNLITSA-N	518.731	4.250	10	40	KICB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1Cc1ccccc1Br	408884998	WJCFMRVEQDKNRQ-UHFFFAOYSA-N	524.234	4.115	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1	408894447	CMXKXRPNTDEMNX-RGVLZGJSSA-N	629.382	4.431	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(I)c1OCc1ccc(Br)cc1	408913246	UGVRIAMEQRGQEZ-OVCLIPMQSA-N	601.260	4.288	10	40	KICB	
COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(I)c1OCC(=O)O	409033652	FYQOXMMTXDTCMQ-YCRREMRBSA-N	582.219	4.265	10	40	KICB	
Cc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)cc2)cc1	9185387	XSTVLBUPUKZZJI-KOKPDDJTSA-N	517.611	4.084	10	40	KICB	
COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](c3cccc(C)c3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O	17994484	OYLSGWYWXMSVDU-VABKMULXSA-N	501.922	4.352	10	40	KICB	
Cc1cc(C)cc(N2C(=O)[C@@H]3[C@@H](c4ccccc4O)N[C@@](Cc4c[nH]c5ccccc45)(C(=O)O)[C@@H]3C2=O)c1	20547402	IIVZPOSHWDJSRJ-DZNDNOMISA-N	509.562	4.007	10	40	KICB	
O=C1/C(=C2\SC(=S)N(CCC(=O)N3CCCc4ccccc43)C2=O)CC(=S)N1CCC(=O)N1CCCc2ccccc21	102942294	NIVBPHIOVOYZLY-SLMZUGIISA-N	618.806	4.400	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(Cl)c4)c(OC)c3)C2=O)cc1	408802735	GSDWRQHBRJIUOG-FYJGNVAPSA-N	520.925	4.381	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)ccc1OCc1cccc(C(=O)O)c1	408852991	XZKBMIGHSLWDCY-RGVLZGJSSA-N	551.349	4.401	10	40	KICB	
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2cccc(C(=O)O)c2)c(Cl)c1	408948393	FZBAHDUTIKIQDO-GIJQJNRQSA-N	520.881	4.012	10	40	KICB	
COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(C)cc2)o1	409009855	ABHLLUSLIDRJSU-BUVRLJJBSA-N	506.580	4.252	10	40	KICB	
CCOC(=O)COc1cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OC	409206102	MIBNJEOYAQUCEP-FBHDLOMBSA-N	530.668	4.086	10	40	KICB	
COc1ccc(CCN2C(=O)/C(=C/c3c(N4CCCCC4)nc4ccccn4c3=O)SC2=S)cc1	1449920	AXXOXDHGAFPAOI-FXBPSFAMSA-N	506.653	4.137	10	40	KICB	
CCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4Cl)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	18077515	WGAISVGMHAGGNC-VABKMULXSA-N	501.922	4.434	10	40	KICB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1c(Cl)cccc1Cl	101394250	WSSMWVOJZUGEKA-UKGQGTOTSA-N	539.422	4.202	10	40	KICB	
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)[C@H]3CCCO3)c3cc(OC)ccc32)S1	105580338	HXEMWEUTPOFKSY-OAHLLOKOSA-N	535.665	4.076	10	40	KICB	
Cc1cccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccccc4Br)C(=O)[C@@H]23)c1	169683217	AJNYTLBAQWGHPI-YPAWHYETSA-N	516.347	4.453	10	40	KICB	
CCOc1c(I)cc(/C=C2/C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1OC	409012124	IXMRIVCASPYXPK-SXGWCWSVSA-N	536.391	4.147	10	40	KICB	
Cc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccc(I)cc2)C(=O)NC1=S	409255677	ZKCJWDCAZQMVLK-QGOAFFKASA-N	513.360	4.222	10	40	KICB	
CC[C@H](C)N1C(=O)/C(=C/c2c(N3CCN(c4ccccc4F)CC3)nc3c(C)cccn3c2=O)SC1=S	2367957	CXBGFYPFOZDDLG-PSRBBBRCSA-N	537.686	4.468	10	40	KICB	
COc1ccc(CCN2C(=O)/C(=C/c3c(NCCCOC(C)C)nc4ccccn4c3=O)SC2=S)cc1OC	97947238	NXWMFNLSDFOULU-QJOMJCCJSA-N	568.721	4.383	10	40	KICB	
Cc1ccccc1[C@@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccccc3I)C(=O)[C@@H]12	100497459	UIMQIIJFXZVUIJ-FSSWDIPSSA-N	563.347	4.295	10	40	KICB	
COc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)c1C	103593290	GYQMWRASBQJKAM-YXHWSSDLSA-N	504.616	4.125	10	40	KICB	
CN1C(=O)C(=Cc2cc(Br)ccc2OCc2ccc(Br)cc2)C(=O)N(C)C1=S	103857495	QJCHXLOKFGLJBX-UHFFFAOYSA-N	524.234	4.389	10	40	KICB	
CCOc1cc(COc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2OC)ccc1OCc1ccccc1	408536848	BJAVVTPYGCUBSO-UHFFFAOYSA-N	518.591	4.166	10	40	KICB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1	408880558	KLUDYAZXTPQRHF-XSFVSMFZSA-N	541.379	4.192	10	40	KICB	
Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1	409260541	RTOVUSARHKSOLO-BKUYFWCQSA-N	519.941	4.346	10	40	KICB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3c(C)n(Cc4cccc(C(=O)O)c4)c4ccccc34)C2=O)o1	409403318	ZLWOBAUXDIEQPS-XKZIYDEJSA-N	513.506	4.169	10	40	KICB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)o1	2143992	FIHXOZCALBDGQK-UFFVCSGVSA-N	506.492	4.357	10	40	KICB	
CCc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCc2ccccc2)c2ccc(N(C)C)cc2)cc1	6134752	XZMUQXUYDYATGM-SANMLTNESA-N	556.692	4.157	10	40	KICB	
Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)c1	6442226	IIUIQOXJHHPPJS-XMMPIXPASA-N	534.686	4.036	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	8443485	NTOUSVVNXFHASO-LCQSEVKBSA-N	575.662	4.362	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCCOc1ccc([N+](=O)[O-])cc1	100229246	ITYCKYFJUCQUDO-KQWNVCNZSA-N	531.521	4.426	10	40	KICB	
CCc1ccc(N(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)S(=O)(=O)c2cc(C)ccc2OC)cc1	408711030	NQGXABWIKKEQLX-UHFFFAOYSA-N	537.682	4.119	10	40	KICB	
COc1cc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OC(C)C)c(OC)c3)C2=O)c(OC)cc1Cl	408834193	UOLPRIMQQRIQJG-AWNIVKPZSA-N	600.793	4.424	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(Br)cc1OCC(=O)O	408845987	OIERDZYBHVBVAK-IZZDOVSWSA-N	574.236	4.449	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(NC(C)=O)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409043119	ZPUGHOHXQLKPLQ-VEOKEAFVSA-N	686.787	4.115	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	409045858	JBJBTAJXYOGGAM-UDWIEESQSA-N	519.941	4.341	10	40	KICB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(C)c4)c(OC)c3)C2=O)cc1OC	409261213	AWVMVSZQTVBYIP-HAHDFKILSA-N	573.602	4.485	10	40	KICB	
CCN(CC)c1ccc(CNC(=O)[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3O2)cc1	224782301	SNIWPTGPSMGZOK-RUZDIDTESA-N	514.047	4.459	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	408801039	RKBJNSSDRSAYJF-FYJGNVAPSA-N	501.495	4.466	10	40	KICB	
COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=S)N(c2ccc(Br)cc2C)C1=O	409095267	AJQPTSZWBZMKTO-GZTJUZNOSA-N	530.444	4.206	10	40	KICB	
COCCN1C(=O)/C(=C/c2cn(CC(=O)NCc3ccco3)c3ccc(Br)cc23)SC1=S	409140391	ROUWGEUEZNBQFF-OCKHKDLRSA-N	534.457	4.161	10	40	KICB	
Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2Cl)cc1	409217257	AROVPADQWNFYRE-UDWIEESQSA-N	505.914	4.038	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1	409252847	FGLOKVZLMHABCK-HMAPJEAMSA-N	515.591	4.161	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1F	409369200	AAKUABSHVKMRJA-YVLHZVERSA-N	613.352	4.189	10	40	KICB	
COc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2Cl)cc1	409379717	ZQETWDUTRCWHCV-MOSHPQCFSA-N	521.982	4.197	10	40	KICB	
CCOc1cc([C@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)ccc1OC	96221251	BQDKHCWSLSLVJH-CQSZACIVSA-N	506.463	4.131	10	40	KICB	biogenic
COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C	223743392	PCGMXCXRCNMJHG-LOSJGSFVSA-N	506.628	4.201	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	408532633	IPVNNXPKFDMCLB-VPDJWLQPSA-N	527.489	4.197	10	40	KICB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(N(C)C)cc3)c2=O)=N[C@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-]	408732791	ZAZNEXWUEQUBKN-TZUCAZQYSA-N	628.707	4.469	10	40	KICB	
COc1cccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c1OCC(=O)Nc1ccc(C)cc1	408900773	UUGVDRAHIAYYBE-HZHRSRAPSA-N	513.550	4.304	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1	409048436	SXUSVKGRJIKDKE-RGVLZGJSSA-N	656.389	4.282	10	40	KICB	
COc1ccc2c(c1)c(=O)oc1c(C)c(O[C@@H](C)C(=O)N[C@H](Cc3c[nH]c4ccc(O)cc34)C(=O)O)ccc12	2133550	XNBXGCIVUNNXBI-IZHWHUGBSA-N	530.533	4.030	10	40	KICB	biogenic
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)c(N3C[C@H](C)O[C@@H](C)C3)nc12	8872538	ACXMVWKPNPMNQX-ODTZSZHUSA-N	520.680	4.060	10	40	KICB	
Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2[C@@H](c3ccccc3O)N2C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1	33354927	JBKRFBGYALAVAK-BFTDMGKYSA-N	631.623	4.005	10	40	KICB	
O=C1c2ccccc2C(=O)c2c(Nc3cccc(S(=O)(=O)O)c3)c(Nc3ccc(S(=O)(=O)O)cc3)cc(O)c21	100047204	QMRDMSWVJZPXDZ-UHFFFAOYSA-N	566.569	4.148	10	40	KICB	
Cc1cc(NC(=O)N/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1Br	408535360	SLCIHIGMYGRFOO-NTEUORMPSA-N	536.180	4.117	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)cc4)c(OCC)c3)C2=O)cc1	408892351	AQJXDYRHVXGJJR-XQNSMLJCSA-N	578.599	4.005	10	40	KICB	
COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1	409019966	LCSYUYXEKWAMER-HYARGMPZSA-N	557.422	4.398	10	40	KICB	
Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc3c(ccn3[C@H](C)C(=O)O)c2)C(=O)NC1=S	409194996	RWYQBANTHTVERF-VVBXCHJUSA-N	512.385	4.189	10	40	KICB	
CCOC(=O)COc1c(I)cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc1OC	409196388	UMQGDNKRXPIBDZ-LICLKQGHSA-N	572.446	4.197	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409224226	JCWFLSQZOXPAKU-KEBDBYFISA-N	564.938	4.249	10	40	KICB	
O=C(COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1)Nc1ccc(F)cc1	409364408	PLABIFMTGYSTQI-FYJGNVAPSA-N	538.329	4.272	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	409374319	MGMHFJCJCHBYPG-VXLYETTFSA-N	525.901	4.481	10	40	KICB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCc1ccc2c(c1)OCO2	409408091	PEFWHZGGSAQEQI-NVMNQCDNSA-N	570.339	4.069	10	40	KICB	
O=C1[C@H]2[C@@H](C(=O)N1c1ccc(F)cc1)[C@H](c1cccc(Br)c1)OC21C(=O)c2ccccc2C1=O	100529017	NBXPXDCZYDEKLP-NJYVYQBISA-N	520.310	4.283	10	40	KICB	
CC(=O)N(C(=O)CC(=O)N1N=C(c2ccccc2)[C@H](/N=N/c2ccccc2[N+](=O)[O-])C1=O)c1ccc(Cl)cc1	102941174	NOCFURHLBZOEFG-JICWPOMZSA-N	546.927	4.443	10	40	KICB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc(C(=O)O)c4)c(OC)c3)C(=O)NC2=S)cc1	408851566	CXZVMJYIYNHIRW-HYARGMPZSA-N	532.574	4.202	10	40	KICB	
COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1I	409070199	XZZAEEOMCHLMBS-XYOKQWHBSA-N	512.756	4.093	10	40	KICB	
O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1	409080585	FILVEWTWESSGQK-CXUHLZMHSA-N	524.829	4.321	10	40	KICB	
Cc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O	409262992	KZRRQISWZNBCGI-ZHZULCJRSA-N	534.366	4.441	10	40	KICB	
CC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)c(O)c2)cc1	902651	XBMPYXDFVCLSJD-GDLZYMKVSA-N	541.608	4.269	10	40	KICB	
CCOc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1	8453097	WZCSFWJPTQGITD-PRMFFDCZSA-N	533.444	4.394	10	40	KICB	
Oc1ccc([C@H](c2cc3c(cc2O)OCO3)N2CCN([C@H](c3ccc(O)cc3)c3cc4c(cc3O)OCO4)CC2)cc1	19364896	FZGHXOVPCVCAHJ-ROJLCIKYSA-N	570.598	4.463	10	40	KICB	
COc1ccc(N2CCN(S(=O)(=O)c3ccc(OC)c(NC(=O)c4cccc(Cl)c4)c3)CC2)cc1	408554607	CQOOXBVECYIAHO-UHFFFAOYSA-N	516.019	4.120	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	408980901	GISXUQUXESQKDC-PIXWUVMMSA-N	555.656	4.243	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(C)c(C)c4)c(OC)c3)C2=O)cc1	409254945	GLCDWIJGIKQJTH-BUVRLJJBSA-N	543.576	4.395	10	40	KICB	
Cc1ccc(C)c(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)c1	6195552	PRFKQPAVAMDBMU-VWLOTQADSA-N	548.713	4.344	10	40	KICB	
COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H](c3ccc(C)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O	100418912	AHBRPXHEGVOOHM-XPWALMASSA-N	501.922	4.352	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408800193	NPVUXUHGXDKIPH-YBFXNURJSA-N	599.337	4.453	10	40	KICB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(CNC(=O)C(=O)Nc4ccc(C)cc4)o3)C(C(=O)OC)=C2C)cc1	408882068	OZOGCZGHHXLLQC-PCLIKHOPSA-N	543.576	4.119	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)c(Br)c(Br)c1O	409172545	KMSKDWMHCSLNNO-DHZHZOJOSA-N	556.232	4.156	10	40	KICB	
COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cc(C)ccc4C)C3=O)c2C)c([N+](=O)[O-])c1	409244948	KZOCBFMAMGWLIG-UDWIEESQSA-N	504.568	4.459	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccc(OC)cc1	409376854	DKWGVPOSQFWVCP-HMAPJEAMSA-N	549.967	4.431	10	40	KICB	
Cc1cc(C)cc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)c1	6193894	JVFXNNOEUXOPAM-VWLOTQADSA-N	548.713	4.344	10	40	KICB	
COc1ccc(CCN2C(=O)/C(=C/c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)SC2=S)cc1OC	100898499	IFCSRKAFHJCGQX-HMAPJEAMSA-N	530.649	4.055	10	40	KICB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)o1	101737855	VZVKQWQZOSPMTO-GZTJUZNOSA-N	528.340	4.457	10	40	KICB	
CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)c2cnc(nc2C4=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C	263593990	BXIOFXWHZIWPCX-LEQBDWEKSA-N	704.773	4.274	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(NC(C)=O)cc4)c3C)c(=O)n2[C@@H]1c1ccc(C)cc1	408836414	QZSQPZOFYPZNKB-NULZLWRNSA-N	568.699	4.473	10	40	KICB	
CCc1cccc(C)c1-n1c(C)cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)c1C	408962290	YCRJSGTZOVNBBM-IMRQLAEWSA-N	541.652	4.333	10	40	KICB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1cccc(OC)c1	409002591	VIXAISHWKGTLEL-CLNXTWJPSA-N	583.710	4.496	10	40	KICB	
CCOc1cc(OCC)c(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc1Br	409021184	YUHNXJYQJBJAGZ-MHWRWJLKSA-N	505.390	4.086	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409365263	UAWZAFNLCKGKML-ODLFYWEKSA-N	615.355	4.123	10	40	KICB	
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1	13676061	SLOLSTBYCCTKKS-UHFFFAOYSA-N	514.047	4.073	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3Cc3ccccc3F)C2=O)cc1	408880679	HVMZGIBWTLNWQH-XQNSMLJCSA-N	502.498	4.268	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	409051415	AACRDKQJYWKWDB-LBKCIFGTSA-N	522.070	4.442	10	40	KICB	
O=C(COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-])Nc1ccc(Cl)cc1	409398490	BIOUMVSQBGLFGC-ODLFYWEKSA-N	571.771	4.490	10	40	KICB	
COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	3265416	ZIHFHVCLANQDPR-UHFFFAOYSA-N	510.977	4.020	10	40	KICB	
COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	101095169	JGJKZONXSUEUSV-GIDUJCDVSA-N	570.355	4.352	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4Cl)c(OC)c3)C2=O)cc1	408868034	MZZIXQVELZKDNX-FYJGNVAPSA-N	504.926	4.392	10	40	KICB	
COC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1	408954599	RWUWYUGFZVZUEV-DHRITJCHSA-N	514.578	4.373	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	409056782	IJFPTVHWEGEKGM-XQNWCSQWSA-N	561.704	4.114	10	40	KICB	
COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3cccc(Br)c3)c2C)C1=O	409242300	WSARLMUSYPEAHW-CIAFOILYSA-N	523.387	4.397	10	40	KICB	
COc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1	409381908	OTISKRAIIVOOGY-FYJGNVAPSA-N	568.355	4.281	10	40	KICB	
O=C1NC(=O)N(CCNc2ncc(C(F)(F)F)cc2Cl)C(=O)/C1=C/Nc1ccc(OC(F)(F)F)cc1	12957896	SLHKAFZWIBULNL-UKTHLTGXSA-N	537.804	4.139	10	40	KICB	
CCNc1nc(NCC)n2c(S[C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c3ccccc3)nnc2n1	102975395	LCMJALDOKZXXQD-QGZVFWFLSA-N	527.998	4.417	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	408895940	OMSDCUKVHOTUIV-PXLXIMEGSA-N	534.590	4.445	10	40	KICB	
CN1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3F)c(Br)c2)C(=O)NC1=S	408909735	IIABAYHZBHTOEY-WUXMJOGZSA-N	528.197	4.186	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc([N+](=O)[O-])c1O	408936546	KYNLEABALNAZMA-VCHYOVAHSA-N	523.885	4.208	10	40	KICB	
COc1ccc(N2C(=O)C(=Cc3cc4c(cc3C)OCO4)C(=O)N(c3ccc(OC)cc3)C2=S)cc1	408987208	FCVDRXFGXRHUGK-UHFFFAOYSA-N	502.548	4.489	10	40	KICB	
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc6c(c5)OCO6)c4C)c(=O)n32)cc1	408988967	SUSAHABDTLMETA-XIHDXPBISA-N	585.682	4.332	10	40	KICB	
Cc1cccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2Br)c1	409050718	YXHOXHIWZRCYAF-UDWIEESQSA-N	579.363	4.350	10	40	KICB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)N4CCOCC4)c(OCC)c3)SC2=S)cc1	409206072	HGXNYKHTEKYWKP-KQWNVCNZSA-N	528.652	4.127	10	40	KICB	
CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c(N4CCCC4)cc3OC)C2=O)cc1	8451782	SWXYDSOPWRWEEB-OEAKJJBVSA-N	511.600	4.378	10	40	KICB	
COc1ccccc1N1C(=O)C(=CNc2ccc(NC(C)=O)cc2)C(=O)N(c2ccccc2OC)C1=S	9355038	YUIDFZFSBZEFSG-UHFFFAOYSA-N	516.579	4.323	10	40	KICB	
CCOc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OCc1ccccc1F	97964463	XRNCIIJFBQAFQN-PSKWXLMSSA-N	536.994	4.078	10	40	KICB	
Cc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(S(=O)(=O)CC(C)C)SC4=NC3=O)cc2)cc1	97964824	GETCRECGLXSUNX-TUKHXMGSSA-N	526.640	4.100	10	40	KICB	
COc1ccc(C(=O)Oc2c(I)cc(/C=C3\SC(=S)NC3=O)cc2OC)cc1	100648461	SWVANYXBAFDNBM-DHDCSXOGSA-N	527.361	4.016	10	40	KICB	
CCCCN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4OC)CC3)nc3ccccn3c2=O)SC1=S	100836181	WMIFYPQRQKRKQP-PYCFMQQDSA-N	535.695	4.031	10	40	KICB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OCc1ccccc1C	101396181	KSGJYPXNNQRZEM-RNDHPAASSA-N	526.640	4.230	10	40	KICB	
Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4cccc(Br)c4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1	101489750	YXVHEKDYNXNSHO-BHDDXSALSA-N	516.347	4.453	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1OCc1cccc(C(=O)O)c1	408694239	GZIWNBXRXNMZEJ-YBFXNURJSA-N	604.397	4.372	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1	408810053	LLPYMXRKXNVXEW-RGVLZGJSSA-N	629.363	4.462	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C(C)C)c(OC)cc3C)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	409019853	YRAOSLROBRQHSP-QPJBPQEWSA-N	533.694	4.305	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409362608	IORARPUJGKODSL-MTJSOVHGSA-N	640.418	4.457	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1F	409408826	RSRTZEFQVYCCCB-PDGQHHTCSA-N	554.372	4.466	10	40	KICB	
Cc1cc(C(=O)[C@@H](C)OC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c(C)n1-c1ccc(Cl)cc1	3433390	WPNCQEYWWVKDOE-OAHLLOKOSA-N	504.948	4.487	10	40	KICB	
O=C(CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)N1CCN(c2ccccc2)CC1	8974296	MXZPWHOOFGFLBL-CAPFRKAQSA-N	516.486	4.389	10	40	KICB	
Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2[C@H](c3ccccc3O)N2C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1	33354929	JBKRFBGYALAVAK-NQANNROTSA-N	631.623	4.005	10	40	KICB	
O=C1NC(=S)S/C1=C\c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccccc1	408533183	XNXKQYIRUWTFCX-QPEQYQDCSA-N	535.260	4.468	10	40	KICB	
O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(I)c(O)c([N+](=O)[O-])c1	408851080	HLUJSWQPVATJLB-XBXARRHUSA-N	564.144	4.043	10	40	KICB	
Cc1cccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2Br)c1	409040669	HKMDDAAWSJENQO-RGVLZGJSSA-N	579.363	4.350	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)OC)cc4C)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	409119663	QGRLQTFWQQOKMX-XQNWCSQWSA-N	585.682	4.219	10	40	KICB	
Cc1ccc(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Cl	409265798	PGJCKZUPZKJAHF-MOSHPQCFSA-N	505.983	4.497	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409361624	COZJSAOHZDIHQF-JAIQZWGSSA-N	674.379	4.421	10	40	KICB	
CC(C)(C)NC(=O)[C@H](c1ccc(N2CCOCC2)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1F	6074971	NMDNWRSUJCADKE-NDEPHWFRSA-N	544.631	4.096	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4)cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	8442736	NWDPSNJBWIEXRH-ACJNQYEBSA-N	553.684	4.443	10	40	KICB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1	17306819	OVLGWYCLMFOZST-ALFKQNEGSA-N	525.677	4.326	10	40	KICB	
COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](c3ccc(C)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O	100418917	AHBRPXHEGVOOHM-VJBWXMMDSA-N	501.922	4.352	10	40	KICB	
O=C1[C@H]2[C@@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(F)cc1	101130356	OICVASDHEJUTFN-QHAWAJNXSA-N	520.310	4.283	10	40	KICB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C	223189957	OSJWVBJBHQYRRV-KAYWLYCHSA-N	550.685	4.101	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)Nc4ccccc4OC)c(OC)c3)C2=O)cc1	409377916	KNCAHVFBODCSJJ-XDHOZWIPSA-N	565.966	4.050	10	40	KICB	
CCOC(=O)c1sc(NC(=O)c2ccccc2NS(=O)(=O)c2cccc3nsnc23)c(C(=O)OCC)c1C	3669148	MFGCUOIKWMPURQ-UHFFFAOYSA-N	574.662	4.468	10	40	KICB	
Cc1c(NC(=O)CCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)c(=O)n(-c2ccccc2)n1C	8820449	IKMABFUAYZAUNX-SYHWEURASA-N	504.637	4.271	10	40	KICB	
COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCCC3)cc2)c2ccccc2OC)cc1	13670594	LGUNAZCHDBCTNF-UHFFFAOYSA-N	523.655	4.206	10	40	KICB	
COc1cccc(N2C(=O)[C@H]3[C@@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1	98023331	SAALXIDWVMYEHA-BHIFYINESA-N	532.346	4.153	10	40	KICB	
CCN(CCc1c(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)[nH]c2ccccc12)C(C)=O	101368789	NUYWYENEAPRYNX-XSFVSMFZSA-N	523.387	4.008	10	40	KICB	
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)[C@@H]3CCCO3)c3ccc(OC)cc32)S1	105580319	DTKYYDNDMFOYFE-HNNXBMFYSA-N	535.665	4.076	10	40	KICB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c1C	223231864	UQPJPSJATFUGHT-DQEYMECFSA-N	508.648	4.330	10	40	KICB	
O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(O)c(I)c1	408741561	MTCAOKSQWWWOAR-VZUCSPMQSA-N	563.598	4.244	10	40	KICB	
COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1	408774761	XHPKLDQGDKXUNV-WWAUWJAYSA-N	511.578	4.211	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	408809241	NPFSZVCWLQUFHE-FYJGNVAPSA-N	501.495	4.466	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)O	409044249	UXBJHLBMGMZRAF-LFYBBSHMSA-N	558.168	4.284	10	40	KICB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4OC)C3=O)c2C)c1	409165904	ANAVQIWHHSSPMT-RCCKNPSSSA-N	503.580	4.111	10	40	KICB	
CC[C@H](C)Oc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1OC	409189480	PKTGCENIPMGCMO-RGZVIEDOSA-N	533.400	4.165	10	40	KICB	
COc1ccc(N2CCN([C@@H](c3cc4ccc(C)c(C)c4[nH]c3=O)c3nnnn3Cc3ccccc3)CC2)cc1	6441919	RYVFQHXRFILDNK-LJAQVGFWSA-N	535.652	4.100	10	40	KICB	
O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)c4ccc([N+](=O)[O-])cc4)C3=O)o2)c1	101094509	FPEMJYBAMDKHOZ-KEBDBYFISA-N	522.447	4.170	10	40	KICB	
O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	103102469	NXKLXKGXYWJQEH-UHFFFAOYSA-N	580.618	4.399	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	408828550	HSCOSIRCJYUCJR-RISWYLRJSA-N	576.606	4.172	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409034203	MSWMDZBCLNZGDZ-HNVAQCFTSA-N	672.804	4.222	10	40	KICB	
O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Cl)c(OS(=O)(=O)c2ccccc2)c(Cl)c1	409074129	KINGRHQQYKPIGJ-LICLKQGHSA-N	533.345	4.133	10	40	KICB	
Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)cc1	6245087	RXXOCEOPGDOMNV-DEOSSOPVSA-N	534.686	4.036	10	40	KICB	
COc1ccc(/C=C2\SC(=S)N(CCC(=O)N(Cc3cccc(Cl)c3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1	97947421	LOSALALYMDNQQT-IDCRMVTHSA-N	565.138	4.156	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Br)c(Br)c1O	103855599	NGMXHHUIQKEBHR-JXMROGBWSA-N	544.196	4.286	10	40	KICB	
COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(I)c1OCc1ccc(Cl)cc1	103855783	LEWNHVOUDMKELN-UHFFFAOYSA-N	556.809	4.131	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@@H]1c1ccccc1OC	409021508	KQTMPEDYYSCXMD-NULZLWRNSA-N	599.709	4.309	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1OC	409381409	UAYKUJMMTASCEV-ODLFYWEKSA-N	594.964	4.339	10	40	KICB	
CCOC(=O)COc1c(OCC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c1Br	409400568	UHDHCWXRXGLXNQ-GDNBJRDFSA-N	568.218	4.014	10	40	KICB	
Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)c(C)n1-c1ccc2c(c1)OCCO2	3446789	XTLYSGHHQQYOAN-SANMLTNESA-N	538.398	4.278	10	40	KICB	
CC(=O)Nc1cc(/N=N\c2cc(/N=N\c3cc(NC(C)=O)cc(S(=O)(=O)O)c3)c(N)cc2N)cc(S(=O)(=O)O)c1	4701179	WNLRSKGBJFLFCB-ZUELCTOOSA-N	590.600	4.092	10	40	KICB	
O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)N(CCCO)C[C@@H](O)Cn3c4ccccc4c4ccccc43)ccc21	102416261	RYFVJGKWGDERFS-OAQYLSRUSA-N	568.651	4.004	10	40	KICB	
COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc([N+](=O)[O-])cc2OC)c1C	223727545	KNWQXSQGCKAKCE-DQEYMECFSA-N	523.615	4.332	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3ccc(C)cc3)C2=O)cc1	408800490	MYGXZCDRCFLRRG-BUVRLJJBSA-N	514.534	4.426	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(I)c1O[C@@H](C)CC	409374689	WSCFCBCLGSFVOK-WFSQQTBHSA-N	538.338	4.122	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Br)c1O[C@@H](C)C(=O)OC	409400559	TZYQJLGWGKDHAN-GQVHDAKQSA-N	568.218	4.012	10	40	KICB	
CN1C(=O)/C(=C\c2cn(CC(=O)N3CCCc4ccccc43)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21	8777932	HLTVWASNVORRND-USHMODERSA-N	596.709	4.159	10	40	KICB	
CN1C(=O)C(=Cc2cc(Br)c(OCc3ccc(F)cc3)c(I)c2)C(=O)N(C)C1=S	103856324	DZLLXGJNVGRPFB-UHFFFAOYSA-N	589.224	4.371	10	40	KICB	
COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C	223712490	AOUDBEKUTSZQGK-VSGBNLITSA-N	533.698	4.251	10	40	KICB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1	408883769	UUSZVOBWGHITFT-UDWIEESQSA-N	586.376	4.100	10	40	KICB	
CCOC(=O)COc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1Br	408982960	JDZIULWBWIZHDP-SXGWCWSVSA-N	580.229	4.382	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(=O)OCC)cc4)c3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409049380	QONLHINELCQLML-HNVAQCFTSA-N	701.798	4.333	10	40	KICB	
COc1ccccc1NC(=O)COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1	409376020	SGPNAMVFSLFKLG-ZHZULCJRSA-N	505.914	4.033	10	40	KICB	
N=C1/C(=C/c2ccccc2OS(=O)(=O)c2ccccc2)C(=O)N=C2SC(COc3ccccc3)=NN12	8493521	KYDCWFAUSSEUSI-OIYMOPNQSA-N	518.576	4.152	10	40	KICB	
Cc1ccc(N2C(=O)[C@H]3[C@H](c4cccc(Br)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	18181074	YXVHEKDYNXNSHO-FSSWDIPSSA-N	516.347	4.453	10	40	KICB	
CN(C)c1ccc(/C=C2/N=C(c3ccc(NC(=O)c4cncc(Br)c4)cc3)OC2=O)cc1[N+](=O)[O-]	100948008	GKAGXTJDKNRHSA-DJKKODMXSA-N	536.342	4.415	10	40	KICB	
CC[C@@H](C)c1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(CC(=O)N5CCOCC5)SC4=NC3=O)c2C)cc1	101127674	OZFZFOVRZJHEEP-GKUPJHSOSA-N	532.670	4.476	10	40	KICB	
CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)c(O)c(Br)c2O)N3)C1	102080010	FYRXANGHODKITE-OAHLLOKOSA-N	547.225	4.053	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(=O)c4ccc(OC)cc4)cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	105499744	LTTWGRCGFKVBBO-CVXGXVHTSA-N	597.693	4.092	10	40	KICB	
O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)NCCN1CCN(C(=O)CCN2C(=O)/C(=C\c3ccccc3F)SC2=S)CC1	150447947	QABIHEWXRIVTGU-GAHATOAQSA-N	715.895	4.108	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OC(C)=O)cc4)c3C)c(=O)n2[C@@H]1c1ccc(C)cc1	408835676	ZAICYTNCGGXDFM-NULZLWRNSA-N	569.683	4.440	10	40	KICB	
CCOC(=O)Cn1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c2cc(Br)ccc21	409135331	YJWJVMYDOYUPNV-VHXYRJIDSA-N	509.447	4.347	10	40	KICB	
O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/NN1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O	408531873	OWYLRRPHAOKYGU-ZTKZIYFRSA-N	645.716	4.412	10	40	KICB	
O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccc(O)c(I)c1	408722088	DFTZUYNVNQKXHP-BJMVGYQFSA-N	519.147	4.135	10	40	KICB	
COc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(I)c1O	409149950	WKMJZENVXLPZGN-REZTVBANSA-N	570.474	4.454	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)nn(-c4ccccc4)c3Cl)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	2111802	JMOKXCWZFNHIDF-QKSFETHESA-N	562.095	4.012	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(I)c1OC	408722332	HHKZPNHQISKYCH-VZUCSPMQSA-N	563.200	4.447	10	40	KICB	
Cc1cccc(N2C(=O)/C(=C/c3cc(Br)c(I)o3)C(=O)NC2=S)c1C	408950543	GGBFOLJKSOSCCE-IZZDOVSWSA-N	531.169	4.095	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1OCC(=O)Nc1cccc(C)c1	409047326	OFZCIJGRJLQZKT-UYRXBGFRSA-N	519.941	4.341	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C	409261364	ATHCMFJWWSSWDY-XKZIYDEJSA-N	558.547	4.294	10	40	KICB	
Cc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccc(O)c(O)c2)cc1	902607	OAMCIRXIUWXSQU-NDEPHWFRSA-N	513.598	4.374	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	100320808	MKRDQOGQWXNFGK-ODLFYWEKSA-N	599.337	4.453	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(N3CCN(Cc4ccccc4)CC3)nc12	100770232	GNVYWFYDTHMUJO-JJIBRWJFSA-N	557.701	4.320	10	40	KICB	
CCOC(=O)c1ccc(NC(=O)CCN2C(=O)C[C@@H](N3C(=O)/C(=C/C(C)=C/c4ccccc4)SC3=S)C2=O)cc1	101174789	AQMNLJMSJMBWEM-NKGNONAJSA-N	577.684	4.167	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4Br)c(OC)c3)C2=O)cc1	408888132	XDISUBVQMUJOMN-DEDYPNTBSA-N	565.376	4.490	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(I)c1OCc1cccc2ccccc12	408917387	SNFOQPLBTUXIQU-VCHYOVAHSA-N	558.397	4.289	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccccc1	409064193	CKGPCUPJKQZYHR-UDWIEESQSA-N	540.981	4.400	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1OS(=O)(=O)c1ccccc1	409070319	FIADIBRFRKVTPZ-LFIBNONCSA-N	547.372	4.436	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-]	409176155	IXDDUMFTBXHYPY-UYRXBGFRSA-N	508.537	4.337	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4C)c(OCC)c3)C2=O)cc1	409267420	VNMATEKRRSIKGT-XQNSMLJCSA-N	543.576	4.476	10	40	KICB	
COc1ccc(N2CCN(C(=S)NC(=O)c3ccc(OCc4ccccc4)cc3)CC2)c([N+](=O)[O-])c1	8832696	WDMWVKSHKUCKGY-UHFFFAOYSA-N	506.584	4.019	10	40	KICB	
COc1ccc(/C=C2\C(=O)N(Cc3ccc(F)cc3)C(=O)N=C2O)cc1CN1C(=O)c2ccccc2C1=O	13774526	PBTQZYIBKYEEDE-XKZIYDEJSA-N	513.481	4.133	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)c(Br)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	105499624	UTNOTNIQEYPYOG-DLBLZJNESA-N	570.509	4.026	10	40	KICB	
COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccc(OCC(=O)NC2CCCCC2)cc1	408790867	UCTILZALCYZVJH-XYGWBWBKSA-N	504.583	4.400	10	40	KICB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(OS(=O)(=O)c2ccc(C)cc2)c1	408884173	XWOWPDVSWBKAMM-FYJGNVAPSA-N	571.405	4.200	10	40	KICB	
CCCC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1cc(I)cc(OC)c1O	36617154	DGLJSPOUOWYBCW-MHWRWJLKSA-N	506.296	4.290	10	40	KICB	
COc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2OC)cc1	100273032	VHLPDPVJFCWVES-OCEVFIGSSA-N	520.489	4.343	10	40	KICB	
COC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)C3=O)o2)cc1	101090462	URXDXQHCIBMSRP-YBFXNURJSA-N	535.515	4.054	10	40	KICB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1cc(Cl)ccc1O	223133363	USQNLASGNNASKB-DQEYMECFSA-N	512.079	4.153	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCc1ccccc1	408816872	UVWMEPIIWHFEOL-YBFXNURJSA-N	523.339	4.409	10	40	KICB	
Cc1c(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	408852756	NBEJWMAKGNXDTH-LPYMAVHISA-N	524.489	4.301	10	40	KICB	
COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1	409008784	HOGKIGIGTIJKMB-BUVRLJJBSA-N	513.550	4.029	10	40	KICB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)cc3C)c(=O)n2[C@H]1c1ccccc1OC	409106514	MMLGADPHWMAVIY-QYTZQGLJSA-N	544.721	4.021	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCC(=O)N1CCOCC1	409263747	BWFUXBHERYTEEH-KQWNVCNZSA-N	512.653	4.291	10	40	KICB	
Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(C)n1-c1ccc2c(c1)OCO2	409381390	TYZIWAOHPSLXSY-ROTLSHHCSA-N	515.591	4.444	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)NCc1ccccc1	671114	YXMYUMJLCLUPHZ-XKZIYDEJSA-N	533.968	4.100	10	40	KICB	
O=C(CN1CCCCCC1)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CN3CCCCCC3)cc1C2=O	5463663	RNXSPFASDXAMJI-UHFFFAOYSA-N	516.642	4.091	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3Cl)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	6354131	HVJDHYFGRAXMSQ-FNUHDPNESA-N	516.450	4.171	10	40	KICB	
CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OCC	408784301	QGZKLWPZFKCFPP-VCHYOVAHSA-N	545.386	4.073	10	40	KICB	
CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(N(C)C)cc4)c(=O)n32)cc1	408852938	OOSDDKPXRQLCBM-QYTZQGLJSA-N	538.673	4.339	10	40	KICB	
O=C(Cn1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c2cc(Br)ccc21)NC[C@H]1CCCO1	409124491	KQNROMFQXHQQRR-NIRPSEFRSA-N	564.527	4.079	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCC(=O)N1CCOCC1	409346413	KLOZUPKDCZJVCW-BKUYFWCQSA-N	516.666	4.061	10	40	KICB	
COc1ccc(N2CCN([C@@H](c3cccc(Br)c3)c3sc4nc(C)nn4c3O)CC2)cc1	22627286	SEJAAQDCDKMXKG-FQEVSTJZSA-N	514.449	4.488	10	40	KICB	
C[C@H]1CN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)C[C@H](C)O1	35980688	DMILYCJQXMSZDS-RMXDPRFDSA-N	506.653	4.271	10	40	KICB	
O=C(O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br	103858485	DADJDEJNFAALKL-LFYBBSHMSA-N	603.017	4.104	10	40	KICB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C	223190124	OSJWVBJBHQYRRV-SVBPBHIXSA-N	550.685	4.101	10	40	KICB	
O=C(Cn1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c2cc(Br)ccc21)N1CCOCC1	409124429	AEEMQWUKCKOBTC-JMIUGGIZSA-N	546.468	4.257	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)nn(-c4ccccc4)c3Cl)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	2111799	JMOKXCWZFNHIDF-ZDQFFALBSA-N	562.095	4.012	10	40	KICB	
Cc1ccc2nc(CCCn3ccnc3)c(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c(=O)n2c1	8858215	PYADJCFBJIWFQD-HMAPJEAMSA-N	501.637	4.234	10	40	KICB	
COc1ccc2c(c1)C=C[C@H]1N2[C@H](C(C)=O)[C@@H](C(=O)c2cc(OC)ccc2OC)[C@]12C(=O)Nc1ccccc12	34262427	PCBLPBFRJXVKJK-KWYVSSJISA-N	524.573	4.275	10	40	KICB	biogenic
CC(C)OCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O	101019787	KPHIFNLFYZOEMY-BKUYFWCQSA-N	538.651	4.052	10	40	KICB	
COc1ccc(CN2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccc(Br)cc2)OC32C(=O)c3ccccc3C2=O)cc1	101481570	ZXKQSSRDDTXAQP-DNVJHFABSA-N	546.373	4.148	10	40	KICB	
COC(=O)c1c(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)c2C)sc2c1CCCC2	408776043	MRJPJUBLPAIQLY-XSFVSMFZSA-N	503.580	4.487	10	40	KICB	
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408801781	BNKAWWSHXSBOKM-UHFFFAOYSA-N	561.159	4.325	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(Br)cc1OCC(=O)O	408853704	QVTZNCIKOSWKLE-BJMVGYQFSA-N	560.209	4.059	10	40	KICB	
COC(=O)COc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1I	408984657	SJBYHXQORGGCIM-ACAGNQJTSA-N	680.620	4.076	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(I)c1OCC	409093249	YJPREVLRKUHYQO-YDRQLGOLSA-N	519.426	4.469	10	40	KICB	
Cc1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	409198360	DQDWFGYZOSIZNP-JCMHNJIXSA-N	505.575	4.397	10	40	KICB	
CCc1cccc2c(/C=C3\C(=O)N(CC)c4ccc(S(=O)(=O)N5CCOCC5)cc43)cn(CC(=O)NC3CCCC3)c12	8778073	FUVAGQUINYWXLA-VEILYXNESA-N	590.746	4.191	10	40	KICB	
CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCc3ccccc3)N3CCN(c4ccc(OC)cc4)CC3)cc2c1	100354113	ZDQKUAXYZMTBBR-PMERELPUSA-N	565.678	4.076	10	40	KICB	
Cc1ccc(S(=O)(=O)c2nc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)oc2N2CCOCC2)cc1	100913013	VSNQQYDZNLSBGJ-HKWRFOASSA-N	541.676	4.054	10	40	KICB	
Cc1c(NC(=O)c2c(NS(=O)(=O)c3ccc(C(=O)O)cc3)sc3c2CCCC3)c(=O)n(-c2ccccc2)n1C	102973536	LKYRFPRZNCNTAK-UHFFFAOYSA-N	566.661	4.176	10	40	KICB	
CCOc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1OC	107061401	XUUGSURDDRZWJO-WQLSENKSSA-N	526.714	4.018	10	40	KICB	
CC[C@H](C)Oc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OC	408903726	XOJXNXVCESJXLM-RGZVIEDOSA-N	538.313	4.283	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1OCC(=O)Nc1cc(Cl)ccc1C	409268514	UWUZODXMWJAIMN-GRSHGNNSSA-N	521.016	4.350	10	40	KICB	
CCc1nnc(NS(=O)(=O)c2ccc(N/C=C3/C(=O)N(c4cccc(Cl)c4)N=C3C)cc2)s1	13124280	SDVFVRHYJNADMV-LDADJPATSA-N	503.009	4.273	10	40	KICB	
COc1ccc(N2CCN([C@@H](c3cc4cc(C)ccc4[nH]c3=O)c3nnnn3C3CCCCC3)CC2)cc1	19826066	POLQGVPWMBAFIA-MHZLTWQESA-N	513.646	4.248	10	40	KICB	
COc1ccc(N2C(=O)[C@H]3[C@H](c4ccc(Cl)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c(OC)c1	100415357	VLTDOEGPIAJZCF-VJBWXMMDSA-N	517.921	4.052	10	40	KICB	
O=C(O)COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc1I	408773382	KJWFZRORQFXYRX-XCVCLJGOSA-N	687.011	4.332	10	40	KICB	
CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1	409013064	MCXCGQPYZFXOQM-HZHRSRAPSA-N	533.968	4.455	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@H]1c1ccc(SC)cc1	409058792	LGEOLYKNNMOTKJ-ASSGYOTOSA-N	533.719	4.429	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1OCC(=O)Nc1ccc(CC)cc1	409254799	FRWVFJCYHBXIED-STZFKDTASA-N	514.625	4.341	10	40	KICB	
COc1cc(C(=O)NN2C(=O)c3ccccc3N[C@H]2c2cc(Br)ccc2O)cc(OC)c1OC	668870	FLHJHYBFOXZISQ-JOCHJYFZSA-N	528.359	4.092	10	40	KICB	
CCOCCCN1C(=O)/C(=C/c2c(N3C[C@@H](C)C[C@H](C)C3)nc3c(C)cccn3c2=O)SC1=S	26503382	RPLZPJKRIIZKMS-KDWLXDBESA-N	500.690	4.113	10	40	KICB	
C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2c(N3C[C@@H](C)O[C@H](C)C3)nc3ccccn3c2=O)SC1=S	26533267	DMILYCJQXMSZDS-OTIYGBFPSA-N	506.653	4.271	10	40	KICB	
CCN(CC)c1ccc(CNC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1	224294583	HLXXYXYSYGEXOQ-UHFFFAOYSA-N	511.644	4.062	10	40	KICB	
CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)C1=O	409222973	YHNIHZVNHWNJNH-LPYMAVHISA-N	517.542	4.105	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N(CCCOC)C2=O)ccc1OCC(=O)Nc1ccc(OC)cc1	409259943	ICJDOROVJBLIOJ-JCMHNJIXSA-N	516.641	4.349	10	40	KICB	
COc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)cc2OC)cc1	409379225	VUCMYDUEPJRYSR-MOSHPQCFSA-N	549.967	4.350	10	40	KICB	
O=C1C[C@@H](c2coc3ccc(Cl)cc3c2=O)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1	108449371	FXSKEQJUZIGCJU-LBPRGKRZSA-N	534.860	4.483	10	40	KICB	biogenic
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1ccc(Br)cc1	2185164	NPYFYZYMBUDPHU-XPCGLTFESA-N	570.509	4.113	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(N3CCN(c4ccc(F)cc4)CC3)nc12	2253560	JAMKRUHHPSOXFQ-QNGOZBTKSA-N	523.659	4.078	10	40	KICB	
COC(=O)C[C@@H](c1cccc(Br)c1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	97971975	RXQLQIBQSKJXCV-AWEZNQCLSA-N	543.322	4.446	10	40	KICB	biogenic
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OC)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	163721846	COHROQBPHOQVJP-AFHVAHMMSA-N	635.378	4.398	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	408844647	UNFWYRNZEHVCAG-ZGOFBEGVSA-N	572.643	4.341	10	40	KICB	
COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1	409004148	OJVRHBBQBPJMET-DUYBAWCLSA-N	527.577	4.277	10	40	KICB	
COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)O	409045737	HNPCBKDGYGBYJJ-UHFFFAOYSA-N	598.349	4.347	10	40	KICB	
O=C(CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1=O)c1ccc(Br)cc1	409225012	LNWMKMQMZMHKAY-NDENLUEZSA-N	532.372	4.113	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(OC)cc4)c(OCC)c3)C2=O)cc1	409382477	NEIHNRACZLRUCJ-LFVJCYFKSA-N	559.575	4.177	10	40	KICB	
COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Cl)c1OCCOc1ccc(Br)cc1	2120270	COEQECFVHPYZJE-UHFFFAOYSA-N	523.767	4.003	10	40	KICB	
O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S	2425029	CJXFLYOLLOBLEA-RMFUMNGISA-N	513.984	4.322	10	40	KICB	
COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(=O)OC)c2)c1C	223742863	CKMQRGINRBBHLF-RPBOFIJWSA-N	506.628	4.201	10	40	KICB	
COc1cc(N2N=C(C)/C(=C/Nc3cc4c(cc3Br)n(C)c(=O)n4C)C2=O)ccc1Cl	408534875	ROUFQFRPLHDARG-RAXLEYEMSA-N	504.772	4.020	10	40	KICB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccccc1	409065395	LKBMYYCWUBQWAK-LDADJPATSA-N	517.346	4.428	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(OC)cc1	409384768	FFEQZJDOONCWLN-IWIPYMOSSA-N	543.576	4.395	10	40	KICB	
Cc1c(NC(=O)[C@@H](C(C)C)N2C(=O)/C(=C/c3ccccc3)SC2=S)c(=O)n(-c2ccccc2)n1C	3169824	BHTAZEAYOUZASM-MNJKBJKMSA-N	506.653	4.349	10	40	KICB	
CCc1cc(C)cc(OCCOc2ccc(Br)cc2C=C2C(=O)N(C)C(=O)N(C)C2=O)c1	8983605	VAZLTOBYEGKFIQ-UHFFFAOYSA-N	501.377	4.212	10	40	KICB	
COCCN1C(=O)/C(=C/c2c(N3CCC(Cc4ccccc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	97946412	WBEVSUHRTHLCJA-QJOMJCCJSA-N	534.707	4.310	10	40	KICB	
CCOc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OC(=O)c1ccc(C(C)C)cc1	97964492	USIOLPCFJSKSFM-JZSRTLTASA-N	540.623	4.049	10	40	KICB	
COc1ccc(/C=C2\SC(=S)N(CCC(=O)N3CCN(C4=NC(=O)/C(=C\c5ccc(OC)cc5)S4)CC3)C2=O)cc1	97984348	KNIYVDDGACPPON-QEYUTVSCSA-N	608.767	4.110	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	408727936	ZXBWLFSPVYDKMR-RGFRMHDHSA-N	557.672	4.223	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4)c(OCC)c3)C2=O)cc1	409044497	VLZZYGFYXWLUGZ-XQNSMLJCSA-N	529.549	4.168	10	40	KICB	
CCc1cccc2c(/C=C3\SC(=S)N(Cc4ccc(OC)cc4)C3=O)cn(CC(=O)NCCOC)c12	409133417	UAWCURXTBPMRAV-UCQKPKSFSA-N	523.680	4.376	10	40	KICB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1F	409405010	FTRAGWXTJKOEPD-BOPFTXTBSA-N	540.345	4.076	10	40	KICB	
COc1ccc(OC)c(-n2c(C)cc(/C=C3\C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)c2C)c1	101133804	IVLRYVYOTRAQCA-WJQQQHEKSA-N	534.642	4.133	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	408801143	UFOSBEVXUAQSLN-FYJGNVAPSA-N	501.495	4.466	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3Cc3cccc(F)c3)C2=O)cc1	408870297	WCSWYLGNKSXTAT-LFVJCYFKSA-N	502.498	4.268	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1	408893565	BDNLMMZKFDRBCV-UDWIEESQSA-N	611.392	4.292	10	40	KICB	
Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1	101099861	VUAMWUGAEXTRGG-BHDDXSALSA-N	516.347	4.453	10	40	KICB	
Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1ccc(I)cc1	106762966	FRHGHGJDPKFPDX-UNOMPAQXSA-N	535.407	4.357	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	408531534	GZQCKEOSECKDCG-LDADJPATSA-N	564.522	4.136	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)c(Br)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	408718858	PBTNQMODYIBBRI-VLOXRPPESA-N	635.378	4.398	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1O	408880448	HVYNJFVIACWIPX-VZUCSPMQSA-N	547.132	4.369	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	408982182	IVXCAIWMACFKHX-NNAGEYCMSA-N	598.725	4.058	10	40	KICB	
CCOC(=O)[C@@H](C)Oc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br	409398849	DSEBCLPYSIWIGU-CDCQXCROSA-N	538.192	4.003	10	40	KICB	
COc1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)c(Br)c(Br)c1O	38177179	XLZNPCCVLUXRQG-BJMVGYQFSA-N	500.099	4.021	10	40	KICB	
CCN(CC)CCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccc(OC)cc3)SC2=S)cc1	100692042	RKGRVQGVHHYWIH-PTGBLXJZSA-N	541.695	4.424	10	40	KICB	
CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1	103919102	NXZXZEFAIHTQPI-MOHJPFBDSA-N	520.615	4.483	10	40	KICB	
COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCN(C)C)c2C)c([N+](=O)[O-])c1	223232103	MBDZCFLJOCDZLL-DQEYMECFSA-N	508.648	4.330	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	408815128	PNWCUILRMWGYJD-HYARGMPZSA-N	545.504	4.026	10	40	KICB	
O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Cl)ccc1OS(=O)(=O)c1ccc(Cl)cc1	409073285	LVMQNYSBCISQJY-XDHOZWIPSA-N	562.343	4.336	10	40	KICB	
CN1C(=O)C(=Cc2cc(Br)c(OCc3ccccc3)c(Br)c2)C(=O)N(C)C1=O	9310342	DECNEOGJTMJTRY-UHFFFAOYSA-N	508.166	4.224	10	40	KICB	
COc1ccc(/C=C2/SC(=S)N(CC(=O)OCC(=O)Nc3cc(Cl)cc(Cl)c3)C2=O)cc1	34707251	JHLUPOBNWQPCHF-UBKPWBPPSA-N	511.408	4.385	10	40	KICB	
Cc1ccc(COc2c(Br)cc(C=C3C(=O)NC(=S)NC3=O)cc2Br)cc1	409047036	MEMQJKJTZAIPBW-UHFFFAOYSA-N	510.207	4.013	10	40	KICB	
COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c1OCc1ccc(C(=O)O)cc1	409186771	HQXRQSSJMVMUIM-KGENOOAVSA-N	500.507	4.256	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(C)c(C)c4)cc3)C2=O)cc1	409259911	HNERVSGFPBRDOO-PCLIKHOPSA-N	513.550	4.386	10	40	KICB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(I)c(Oc2ccc([N+](=O)[O-])cn2)c(I)c1	409401490	YRNJCGFEMRGKML-NVNXTCNLSA-N	654.158	4.453	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1cccc(OC)c1	100305789	GFESCZJKJDBUQQ-QTTRZTASSA-N	545.636	4.354	10	40	KICB	
Cc1ccc(C)c(OCCOc2ccc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)cc2)c1	101221988	CVQWGNKJPDXRTA-UAJGQANVSA-N	531.638	4.393	10	40	KICB	
COc1ccc(/C=C2\SC(=S)N(CCCC(=O)N3CCN(CCNC(=O)CCN4C(=O)/C(=C\c5ccc(OC)c(OC)c5)SC4=S)CC3)C2=O)cc1OC	150425832	KQHHXZDZNKYYAT-KURJDURESA-N	814.046	4.254	10	40	KICB	
COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1OCC(=O)Nc1ccc(F)cc1	408902868	MOVKUCNTMNQKMX-DEDYPNTBSA-N	568.355	4.281	10	40	KICB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1	408984418	QUDLPPWPMGEYGL-HMAPJEAMSA-N	501.495	4.411	10	40	KICB	
CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(N(C)C)c(Br)c4)c(=O)n32)cc1	409038054	DKAANADBKBVQTO-XSZPGNIMSA-N	584.536	4.414	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)C2=O)cc1	409222972	FRCAXIMDDFQTJL-CIAFOILYSA-N	622.428	4.237	10	40	KICB	
CCOC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3cccc(I)c3)c2C)C1=O	980032	QHMWUZNVSBKHMT-MFOYZWKCSA-N	510.353	4.298	10	40	KICB	
CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(I)c3)c2C)C1=O	8384133	QHMWUZNVSBKHMT-RQZCQDPDSA-N	510.353	4.298	10	40	KICB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCOCC4)cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1	409057053	GNQROSOCILPVIL-STGXNMSHSA-N	597.762	4.494	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c(N3CCSCC3)nc12	2352362	FTMBBEKCECHWBH-SILNSSARSA-N	508.694	4.000	10	40	KICB	
O=C1N[C@@H](c2cc(Br)cc(Br)c2O)[C@@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1	8432910	ROUBDRPGGXHHPB-GDZNZVCISA-N	538.114	4.021	10	40	KICB	
CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/N2N=C(c3ccc(Br)cc3)C[C@@H]2C(=O)O)SC1=S	256055851	WILLSUXVEJTFFB-QUYYUFTNSA-N	588.505	4.188	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	408828548	HSCOSIRCJYUCJR-LMSRTUJASA-N	576.606	4.172	10	40	KICB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12	409102345	YXJBBPWZVBXJJM-ZRYJBNJPSA-N	641.750	4.010	10	40	KICB	
C[C@H]1CCCN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N(C)C)c3)S2)C1	2419404	HYKQMXKPAACTDH-UZXDDYOISA-N	535.695	4.492	10	40	KICB	
COc1ccc(CN2C(=O)[C@H]3[C@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	4182221	ZXKQSSRDDTXAQP-VJBWXMMDSA-N	546.373	4.148	10	40	KICB	
CC(C)OCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCc2ccccc2)C1=O	9463747	LBIQKEZSYWRGBC-FXBPSFAMSA-N	508.669	4.365	10	40	KICB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3cn(CC(=O)N4CCCCC4)c4ccccc34)C(=O)NC2=S)c1	96234391	MDTMZJHAXVNWQL-HZHRSRAPSA-N	500.624	4.102	10	40	KICB	
COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)cc1	223186269	NJWHQJHFLQLBES-SXOMAYOGSA-N	505.688	4.193	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(I)c1OC(C)C	408870831	VUNMICBQGLEMQQ-ZROIWOOFSA-N	538.313	4.283	10	40	KICB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\NC(=O)N(CC(=O)Nc4ccc(C)cc4)C3=O)c2C)c1	408967077	PTEPIYSKEWMYGJ-IWIPYMOSSA-N	500.555	4.111	10	40	KICB	
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)c2=O)=N1	409030947	IPDVZZQKHVRIII-MKWGYRPRSA-N	515.610	4.345	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409076660	BQRJGLZCOXZLRW-LZYBPNLTSA-N	554.855	4.329	10	40	KICB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCC(=O)OC	409345771	JUMNXNGUZOQSAN-QGMBQPNBSA-N	599.424	4.376	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409374658	WALNNBRFLZYVJY-VXLYETTFSA-N	617.352	4.432	10	40	KICB	
COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1	103920116	HZRQKRIEJAEZPN-KQWNVCNZSA-N	580.648	4.354	10	40	KICB	
COc1ccc(CN2C(=O)[C@]3(SC2=S)[C@H](c2ccco2)CN(C)[C@@]32C(=O)N(C)c3ccc(F)cc32)cc1	106015616	GYDZPKJRCCKGEO-SQMFLSJESA-N	537.638	4.128	10	40	KICB	
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408529798	DENRXKOQTGESBV-UYRXBGFRSA-N	536.294	4.243	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	408533549	KAWLYSLKRDKBDM-XBXPHJQFSA-N	639.358	4.493	10	40	KICB	
O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc(Cl)c(Cl)c1	408686184	MTQCELMHFWKNCW-UEXGIBASSA-N	501.366	4.038	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc(I)c1OCC	408804966	HTGABABWMXOHTD-MHWRWJLKSA-N	534.350	4.372	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@@H]1c1ccc(C)cc1	408821581	JCEVSUUFZRYXIN-XQNWCSQWSA-N	569.683	4.301	10	40	KICB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccccc1Br	408948257	FEEFSKHYNARESL-LICLKQGHSA-N	508.328	4.252	10	40	KICB	
COc1ccc(N2CCN([C@H](c3cc4cc(C)c(C)cc4[nH]c3=O)c3nnnn3Cc3ccccc3)CC2)cc1	6195040	HFTLFNBRMYXXJF-GDLZYMKVSA-N	535.652	4.100	10	40	KICB	
COc1ccc2c(c1)C=C[C@H]1N2[C@H](C(C)=O)[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12	9009271	LJXNRCKOTYLNFS-GSTLAZBSSA-N	509.518	4.166	10	40	KICB	
O=C(COC(=O)C[C@H]1Sc2ccccc2NC1=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O	103128048	ZXOGYRWSPCOGII-OAQYLSRUSA-N	520.950	4.100	10	40	KICB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1ccccc1	103862470	RPQZKMKYIXDIME-AHQATDLNSA-N	553.684	4.487	10	40	KICB	
[N-]=[N+]=NCCOCCOCCOCCOCCC(=O)NCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O	214947537	JYTFGMAXFXMYNK-GDLZYMKVSA-N	641.722	4.032	10	40	KICB	
Cc1cc(Br)c(N2C(=O)NC(=O)/C(=C/Nc3cc4c(cc3N3CCN(c5ccccc5)CC3)n(C)c(=O)n4C)C2=O)cc1C	408531102	NFEMHBFECBVUTK-PYCFMQQDSA-N	658.557	4.162	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1	408895819	FSXNQTXBRRLSHI-UDWIEESQSA-N	523.904	4.172	10	40	KICB	
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(I)c1	408946779	AYXYMPPZZLXGJG-VCHYOVAHSA-N	568.323	4.265	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1	409022638	DZECHUHZABZMBX-NNAGEYCMSA-N	570.715	4.280	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1	409264828	GDRXCWYYYZGYFA-NVMNQCDNSA-N	524.979	4.181	10	40	KICB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3c(C)n(Cc4cccc([N+](=O)[O-])c4)c4ccccc34)C2=O)o1	409399873	LRTBWOPMAWFWFW-XKZIYDEJSA-N	514.494	4.379	10	40	KICB	
CC(=O)Nc1cc(N=Nc2cc(N=Nc3cc(NC(C)=O)cc(S(=O)(=O)O)c3)c(N)cc2N)cc(S(=O)(=O)O)c1	245241037	WNLRSKGBJFLFCB-UHFFFAOYSA-N	590.600	4.092	10	40	KICB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5cccc(C(=O)OC)c5)c4C)c(=O)n32)cc1OCC	408934732	MHMZOYXOFWYXLT-FHGOPSEHSA-N	615.708	4.010	10	40	KICB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4)c(OC)c3)C2=O)cc1OC	409254672	ZWLHSOUSPUFJEO-JCMHNJIXSA-N	559.575	4.177	10	40	KICB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4F)c(Cl)c3)C2=O)cc1	409377174	FIVSFBNHIZEBJL-LDADJPATSA-N	507.905	4.471	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408798457	FITBYNJGYLKRFW-VXLYETTFSA-N	568.336	4.317	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(Br)cc3)C2=O)cc1	408803917	USOBXJCVJUYEIH-KGENOOAVSA-N	535.350	4.481	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	408878312	ACZLHWJODULNIN-DEDYPNTBSA-N	526.954	4.091	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1	409044960	DWDQHQGDTDIYET-RGVLZGJSSA-N	656.389	4.200	10	40	KICB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1	409066581	PASNVACITXVZDD-DEDYPNTBSA-N	517.346	4.428	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409090798	QGWMPDMGTSOMSU-XDHOZWIPSA-N	548.464	4.369	10	40	KICB	
COc1ccc2cc([C@@H]3CC(=O)Oc4c(O)c(O)c5c(=O)cc(-c6ccccc6)oc5c43)c(=O)n(C)c2c1	96114027	SXEXCPUTCYLNKF-KRWDZBQOSA-N	511.486	4.173	10	40	KICB	biogenic
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)o1	100195236	HVVBVUJITAXNHW-BOPFTXTBSA-N	528.340	4.457	10	40	KICB	
CN1C(=O)C(=Cc2cc(Br)c(OCc3ccccc3F)c(I)c2)C(=O)N(C)C1=S	103856314	VLPOBAXQEWLCFK-UHFFFAOYSA-N	589.224	4.371	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCC(=O)OC	408760953	BELJYLIZZYCLEL-OVCLIPMQSA-N	596.228	4.137	10	40	KICB	
CCOc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCC(=O)OC	409149799	RFFKXQNGBKCPQY-UFFVCSGVSA-N	530.668	4.086	10	40	KICB	
COc1ccccc1N1C(=O)/C(=C/c2cc(Br)c(OC(C)C)c(OC)c2)C(=O)NC1=S	409167490	MQYQRBIXNBSTJH-NTEUORMPSA-N	505.390	4.085	10	40	KICB	
O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1Br)[C@@H](c1ccccc1)OC21C(=O)c2ccccc2C1=O	101481146	KSAZRMOMQDSNSF-NJDAHSKKSA-N	502.320	4.144	10	40	KICB	
CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1	408870876	VYNGPYICEIZAMN-WGOQTCKBSA-N	557.603	4.427	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(I)c1OS(=O)(=O)c1ccccc1	409073756	XKSKMLBSNOIYES-LFIBNONCSA-N	638.823	4.387	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCC(=O)Nc3ccccc3F)C2=O)cc1	409379781	ZUZCZIKTUBUXQA-CPNJWEJPSA-N	523.904	4.172	10	40	KICB	
COc1ccccc1N1C(=O)[C@H]2[C@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O	2300488	SYMMNTVNUXJENJ-FSSWDIPSSA-N	532.346	4.153	10	40	KICB	
CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)o2)cc1	9191555	ABEDZODYSSUXCB-NVOZUQLISA-N	519.583	4.145	10	40	KICB	
CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCOc4ccccc4Cl)cc3)C(=N)N21	101396165	NXUGWPVBTBXDHN-MFTVFGMVSA-N	547.058	4.445	10	40	KICB	
Cc1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)cc2I)c1	409374223	YZVDRJQJCJJVAD-YBFXNURJSA-N	542.329	4.434	10	40	KICB	
COc1cc(C(=O)Oc2ccc(Br)cc2/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OC	409409484	PLUMXTWZBGYKHV-XDHOZWIPSA-N	553.365	4.156	10	40	KICB	
O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S	2425027	CJXFLYOLLOBLEA-PGLQMZEQSA-N	513.984	4.322	10	40	KICB	
O=C1[C@@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1ccccc1Br	101481148	KSAZRMOMQDSNSF-PWRODBHTSA-N	502.320	4.144	10	40	KICB	
O=C(Nc1nnc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)s1)c1ccc(Cl)cc1Cl	224436331	HVTBNAQCHTVLAA-UHFFFAOYSA-N	512.444	4.176	10	40	KICB	
COc1cc(OC)c(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc1Br	408741873	OFOMWHGHXUHNMZ-NTUHNPAUSA-N	540.233	4.369	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	408883735	UPAMWKRCJMHYMG-RCCKNPSSSA-N	520.563	4.136	10	40	KICB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)cc([N+](=O)[O-])c1OCc1cccc([N+](=O)[O-])c1	409400122	OZDJGVYGJCZMAB-ODLFYWEKSA-N	539.298	4.306	10	40	KICB	
CCN(C(=O)COC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1O)C1CCCCC1	8686903	YKGVAQNADXXBHV-UHFFFAOYSA-N	539.994	4.093	10	40	KICB	aggregator
O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	12621684	GCWFOEJIRGLTSH-UHFFFAOYSA-N	515.477	4.033	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1	15018601	BPCNCWWXBPUKRD-OKGRRGNVSA-N	519.667	4.043	10	40	KICB	
Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4O)N[C@@](Cc4c[nH]c5ccccc45)(C(=O)O)[C@@H]3C2=O)cc1C	20546456	MTYRNJBYRTZUPC-VWDBNSKXSA-N	509.562	4.007	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCCOc1ccc([N+](=O)[O-])cc1	100229259	BRLJVBDSQLYYDT-XQNSMLJCSA-N	547.520	4.126	10	40	KICB	
COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)[C@@H](C(=O)c2cc(OC)c(OC)c(OC)c2)[C@]12C(=O)Nc1ccccc12	229981657	MHZHCDFGVJPVLG-NAQGONTDSA-N	554.599	4.283	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408937198	IKHNQPAAMSPTJR-UDWIEESQSA-N	629.441	4.289	10	40	KICB	
COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)SC2=S)cc1	409342981	FOEVFDPITGQKQL-UDWIEESQSA-N	511.537	4.418	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)ccc3OCC(=O)Nc3ccc(F)cc3)C2=O)cc1	409364626	QMOLLXWNOWDORL-BKUYFWCQSA-N	596.365	4.059	10	40	KICB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)o1	409403125	YUGFBOQCTSIIRM-XKZIYDEJSA-N	514.494	4.379	10	40	KICB	
CCOC(=O)c1ccc(Oc2c(C(F)(F)F)oc3c(CN4CCN(C)CC4)c(O)ccc3c2=O)cc1	20392181	NLQXZNUSCUTBCM-UHFFFAOYSA-N	506.477	4.234	10	40	KICB	biogenic
CN1C(=O)[C@@]2(c3cc(Cl)ccc31)N(C)C[C@H](c1ccncc1)[C@@]21SC(=S)N(Cc2ccccc2)C1=O	101392011	QTMRLSJUUPQGIV-ZFWHIUCFSA-N	535.094	4.435	10	40	KICB	
CN1C(=O)[C@]2(c3cc(Cl)ccc31)N(C)C[C@H](c1ccncc1)[C@]21SC(=S)N(Cc2ccco2)C1=O	106022151	KNKLRZQWCBEUQY-BTZRARBUSA-N	525.055	4.028	10	40	KICB	
NC(=O)c1c(NC(=O)CCN2C(=O)/C(=C3\SC(=S)N(CCC(=O)Nc4sc5c(c4C(N)=O)CCCC5)C3=O)SC2=S)sc2c1CCCC2	150405985	ZGFXLRKXPDSISL-QURGRASLSA-N	763.008	4.055	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408938750	RKISUPJXERGZNS-UDWIEESQSA-N	677.429	4.341	10	40	KICB	
COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1	409018736	YVJRRQPBWSVDLI-KEBDBYFISA-N	534.396	4.170	10	40	KICB	
CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(N(C)C)c(Br)c4)c(=O)n32)cc1	409038057	DKAANADBKBVQTO-XXMKCSCWSA-N	584.536	4.414	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	409374227	ZCUXDQKIXQIUMN-GIJQJNRQSA-N	511.874	4.091	10	40	KICB	
CCc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3OCC(=O)Nc3ccc(C)cc3)C(=O)NC2=S)cc1	409382140	LFVXSHZXYSHHIG-XQNSMLJCSA-N	529.618	4.415	10	40	KICB	
COc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc(I)c1OC	59135733	BQTHTOFHHBFVFV-YRNVUSSQSA-N	512.300	4.119	10	40	KICB	
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1OCc1ccc(F)cc1	59139791	SOGNQMXXGVUWAI-UHFFFAOYSA-N	507.381	4.165	10	40	KICB	
COc1ccccc1/C=C1\SC(=S)N(CCC(=O)N2CCN(C(=O)CCN3C(=O)/C(=C\c4ccccc4OC)SC3=S)CC2)C1=O	150414276	RBVZYQVJJDZKOA-GAHATOAQSA-N	696.898	4.257	10	40	KICB	
CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/N2N=C(c3ccc(Cl)cc3)C[C@H]2C(=O)O)SC1=S	256055520	JPXOUMQCVMLMEX-MSWATVTMSA-N	544.054	4.079	10	40	KICB	
COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)O	408902825	RTDILKFBPQRXEA-OQLLNIDSSA-N	527.361	4.169	10	40	KICB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(OC)c(Br)c3)C2=O)cc1	408986501	MJIVIYLHVAZUHQ-ZSOIEALJSA-N	508.166	4.449	10	40	KICB	
CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)c(=O)n32)cc1	409044081	NSGZUAOKQMZPDB-OXWVMCNISA-N	590.702	4.484	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	409058358	OCGFAOLXYGZDGU-OWXSRONMSA-N	522.070	4.360	10	40	KICB	
CCN(CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(=O)O)cc4)C3=O)c2C)cc1	409193711	KZAKNNPMTNHVTM-LFVJCYFKSA-N	516.623	4.470	10	40	KICB	
Cc1ccccc1NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1	409259031	XDAGJOGZEKETLP-KGENOOAVSA-N	534.366	4.441	10	40	KICB	
COc1ccccc1NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br	409388382	UWXMNJTVNHFZCB-LDADJPATSA-N	568.355	4.281	10	40	KICB	
O=C(NCc1ccccc1)[C@H](c1ccc(N2CCOCC2)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCO2	6446260	DCTIWJCBBDCBNE-XIFFEERXSA-N	604.667	4.088	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br	8424773	SFEIRYWYNMILNK-ZSJKCPIUSA-N	614.562	4.424	10	40	KICB	
CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccccc3Cl)C2=O)CC1	97947706	KUYFDPZEZDPTJM-QNGOZBTKSA-N	584.123	4.336	10	40	KICB	
CCc1ccc2c(c1)[C@]1(C(=O)N2)N(C)C[C@@H](c2cccc([N+](=O)[O-])c2)[C@]12SC(=S)N(Cc1ccco1)C2=O	98007439	BNLSNCSCPDAPFO-GCCWUPBUSA-N	548.646	4.426	10	40	KICB	
CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1	103919118	ZDBUFKQSGZKKBY-QJOMJCCJSA-N	535.586	4.383	10	40	KICB	
O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(I)cc(I)c1O	408723217	RGFJDLGIVLIDOC-LFYBBSHMSA-N	610.598	4.086	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccccc4F)c(OC)c3)C2=O)cc1	408887084	NSJQGQBRQLKADZ-YBFXNURJSA-N	630.366	4.471	10	40	KICB	
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2ccccc2F)c(I)c1	408953188	OZXQENGUDSKJBF-RQZCQDPDSA-N	586.313	4.404	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(I)c1OCc1cccc(C)c1	409372894	NRVVZBKDCDLQES-VXLYETTFSA-N	572.355	4.442	10	40	KICB	
COc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1	409379518	WZUDVTHGSKAXJM-STZFKDTASA-N	566.433	4.307	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1OC	409383621	YJBJUJNMJRUODU-DEDYPNTBSA-N	549.967	4.431	10	40	KICB	
Nc1c(-c2nnc(-c3ccc4c(c3N)C(=O)c3ccccc3C4=O)o2)ccc2c1C(=O)c1ccccc1C2=O	25559082	HFLBGLHPZPFPAU-UHFFFAOYSA-N	512.481	4.119	10	40	KICB	
CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C3/C(=O)N(c4ccc(C)c(C)c4)C(C)=C3C(=O)OC)o2)cc1	408911076	YKVICNTVEXTJKE-WGOQTCKBSA-N	585.613	4.205	10	40	KICB	
COC(=O)COc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1I	408983049	JWBGEBYQPWNUCA-ACAGNQJTSA-N	633.620	4.234	10	40	KICB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1C	409075645	SPCOIZGCNSFKRT-KGENOOAVSA-N	510.955	4.391	10	40	KICB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409098110	PJLVGTWXSREISF-UAMLYEQYSA-N	628.751	4.227	10	40	KICB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCC(=O)Nc3ccc(C)cc3)C2=O)cc1OC	409225928	TVAXSEHHDLOSGB-XQNSMLJCSA-N	543.576	4.476	10	40	KICB	
COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCC3)cc2)c2ccc(Cl)cc2)cc1OC	113625216	OJNJBMJUKRRQNV-UHFFFAOYSA-N	544.073	4.469	10	40	KICB	
COc1ccc(N2CCN(C(=O)[C@@H](C)Nc3ccc4c(cc3=O)[C@@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)CC2)cc1	252570423	WSQAMABLBJEJGH-PIKZIKFNSA-N	630.742	4.021	10	40	KICB	
COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1[N+](=O)[O-]	408755381	LAABLPZQFXRHPG-WUXMJOGZSA-N	539.136	4.103	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(N4CCCCC4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	408861150	OBNXYRHITMLDGG-KZVLXBEFSA-N	599.551	4.210	10	40	KICB	
Cc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Cl	409263074	LLUZSVAEEZLHQS-UNOMPAQXSA-N	505.914	4.038	10	40	KICB	
COc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)ccc1OCc1ccc(F)cc1	8914388	ADJNRYAUUYDOKW-XQWBAOJFSA-N	521.574	4.045	10	40	KICB	
Cc1ccc(OCCCOc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2Cl)cc1	97964453	RQTGBQHHRIRNFQ-NWSLSDTJSA-N	533.031	4.118	10	40	KICB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1cccc(OC)c1	111469435	KYJQSBOVNODLEH-QPWQWLJXSA-N	539.657	4.010	10	40	KICB	
O=C1[C@H]2[C@@H](C(=O)N1Cc1ccccc1)[C@H](c1ccc(Br)cc1)OC21C(=O)c2ccccc2C1=O	169617691	VGHAMNDXUYCJOT-VSKRKVRLSA-N	516.347	4.140	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1cccs1	408727352	RLKLEKHHAGJIFH-WLGHQHAYSA-N	503.649	4.267	10	40	KICB	
CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1	408827611	FIEQJDNGMXGGLR-LVSKKATPSA-N	535.975	4.060	10	40	KICB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)cc(I)c3O)C2=O)cc1Cl	408984248	IKENFYXIONKQOU-XGICHPGQSA-N	608.557	4.230	10	40	KICB	
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c2=O)=N1	409030820	FQRMUXXPPZDNLX-OXWVMCNISA-N	540.689	4.272	10	40	KICB	
COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1OCc1ccc(I)cc1	103856609	KFKZYHKQHOELJD-UHFFFAOYSA-N	601.260	4.240	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OC(=O)c1ccc2c(c1)OCO2	408529794	DEAOONPHBCLDRY-YBFXNURJSA-N	579.359	4.462	10	40	KICB	
O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccc(Br)cc1Cl	408684044	JHOQESDTEOYKQT-OPYAIIAOSA-N	545.817	4.147	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@H]1c1ccc(C)cc1	408821580	JCEVSUUFZRYXIN-RGFRMHDHSA-N	569.683	4.301	10	40	KICB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=S)N(NC(=O)c4ccccc4)C3=O)cc2)cc1[N+](=O)[O-]	409179557	SEKBUHDJJDMCMY-BKUYFWCQSA-N	555.615	4.217	10	40	KICB	
Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2Br)cc1	409398815	DASVZNJKHYLRBB-MOSHPQCFSA-N	506.356	4.236	10	40	KICB	
COc1ccc(CCN2C(=O)/C(=C/c3c(N4CCCCC4)nc4ccc(C)cn4c3=O)SC2=S)cc1	8827823	LSZYNSPLRDCTNF-JWGURIENSA-N	520.680	4.446	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	9310911	ORYUHRXTMYITLH-LPYMAVHISA-N	501.495	4.466	10	40	KICB	
O=C(NCc1ccc(N2CCCC2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1	20454997	MUDOOWASFWDLHZ-UHFFFAOYSA-N	510.487	4.452	10	40	KICB	
Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	96298822	VUAMWUGAEXTRGG-FDFHNCONSA-N	516.347	4.453	10	40	KICB	
CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(s/c(=C/c3ccc(N4CCCC4)cc3C)c2=O)=N1	409055396	BTISHDDTIMEFIA-RGFRMHDHSA-N	559.688	4.216	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(C(=O)O)cc1	409066598	LRTXVCFTJZKYHZ-VXLYETTFSA-N	643.346	4.152	10	40	KICB	
O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1	409067999	SCYLDZXJXDQYOL-WOJGMQOQSA-N	562.343	4.336	10	40	KICB	
COc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4cc(Cl)ccc4C)C3=O)cc2)cc1	409371630	XOEVKCVTTHKPHP-LPYMAVHISA-N	519.941	4.341	10	40	KICB	
O=C1[C@@H]2[C@@H](c3ccccc3O)N[C@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@H]2C(=O)N1c1ccc(Cl)cc1	13556376	RGTNXIYIQXCACV-KVOKEACQSA-N	515.953	4.043	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(NC[C@@H](O)c3ccccc3)nc12	13811080	YQOYVYGMTBSWRA-PLDFPGSMSA-N	506.653	4.292	10	40	KICB	
Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4cccc(I)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	102902299	XQGYDRQSSLEJSU-FDFHNCONSA-N	563.347	4.295	10	40	KICB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nnnn4-c4ccccc4)o3)C(=O)NC2=S)cc1Cl	408988761	FVCHMCSFBNBXCH-SFQUDFHCSA-N	522.999	4.200	10	40	KICB	
O=C(O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Br	409058175	RXSQDHFCLBGWRN-UDWIEESQSA-N	551.349	4.158	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1	409364630	QOPBOJLNBSDNOU-RGVLZGJSSA-N	523.904	4.172	10	40	KICB	
O=C(NC1CCCCC1)[C@@H](c1ccc(O)c(O)c1)N(C(=O)Cn1nnc2ccccc21)C1CCCCC1	902698	AHPPDAWTVMEXJJ-HHHXNRCGSA-N	505.619	4.194	10	40	KICB	
CCCN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4F)CC3)nc3ccc(C)cn3c2=O)SC1=S	1451395	OEJUJIVWSOBLMO-QNGOZBTKSA-N	523.659	4.080	10	40	KICB	
COc1ccc(CNC(=O)[C@H](c2ccc(N(C)C)cc2)N(C(=O)c2snc(C(N)=O)c2N)c2cc(C)cc(C)c2)cc1	6193909	NHMKZSQCRNSNRG-MHZLTWQESA-N	586.718	4.220	10	40	KICB	
CCN(CC)CCNC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)cc1	8819045	UARIPOQXVOCBRC-XLNRJJMWSA-N	528.675	4.127	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OCC)ccc4ccccc34)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	97966079	XLVJIAYGWZNZAH-OXWVMCNISA-N	541.673	4.416	10	40	KICB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccc(N2CCOCC2)cc1	223296386	NGOHGVRDTGWHLB-VCTRFXNDSA-N	517.699	4.477	10	40	KICB	
COc1cc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OC(C)C)c(OC)c3)C2=O)c(OC)cc1Cl	408835843	ZLWSNGNYGNUQBM-AWNIVKPZSA-N	509.342	4.473	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1	408979035	BNVAXYCJZGNZOW-XQNWCSQWSA-N	585.682	4.001	10	40	KICB	
COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1	409017126	VCNWTBUUDVFLNK-ZVHZXABRSA-N	547.995	4.369	10	40	KICB	
O=C(COc1ccc(Cl)cc1Cl)NN1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)SC1=S	1011320	PIXWZLKNRMEPFW-NXVVXOECSA-N	559.250	4.390	10	40	KICB	
CCN1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)CC1	8827502	JFXLXGFAHSWJGR-OSEFQUDUSA-N	519.696	4.107	10	40	KICB	
O=C(NC1CCCCC1)[C@H](c1ccc(O)c(O)c1)N(C(=O)Cn1nnc2ccccc21)c1ccc(F)cc1	12475756	BNTUOCVTUAZJKC-MHZLTWQESA-N	517.561	4.205	10	40	KICB	
Cc1ccccc1OCCCn1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c2ccccc21	20206095	LJTQWNHNGNOGQO-OQZKWKKUSA-N	521.624	4.040	10	40	KICB	
Cc1ccccc1[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@H]2C(=O)N(c3ccccc3Br)C(=O)[C@H]12	102668299	FAFWLOVVHCVDRI-BHDDXSALSA-N	516.347	4.453	10	40	KICB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccc(N(C)C)cc1	223187187	LVHWBGNUPIFLEB-VSGBNLITSA-N	518.731	4.250	10	40	KICB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OS(=O)(=O)c3ccccc3)C2=O)cc1C	409064612	IAJPQAVRBDWHIA-KGENOOAVSA-N	510.955	4.391	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1	409069010	UCXHJWIBBQYBMV-DEDYPNTBSA-N	547.372	4.436	10	40	KICB	
COc1cc(OC)c(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1Br	409099410	SCZHZVRVKDOGAC-UXBLZVDNSA-N	500.132	4.440	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(C)c(C)c4)c(OC)c3)C2=O)cc1	409253683	BPURQLRDZFUAGQ-OEAKJJBVSA-N	529.549	4.005	10	40	KICB	
COCCn1c(C)c(CN2CCC3(CCCCNC(=O)c4ccccc4OCCNC3=O)CC2)c2ccccc21	643589463	TXPGKBQBAODXTC-UHFFFAOYSA-N	546.712	4.287	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCCOc1ccc(C)c(C)c1	2221110	NGBPLXIEXQEMGU-HAHDFKILSA-N	504.539	4.415	10	40	KICB	
COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1	8383803	XRORDBAWOHBYJW-LFVJCYFKSA-N	585.476	4.436	10	40	KICB	
Cc1cccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(Cl)c(CN4C(=O)c5ccccc5C4=O)c3)C2=O)c1	8435406	IVXUKXVOMKSHNJ-BKUYFWCQSA-N	514.925	4.023	10	40	KICB	
Cc1ccc(CNc2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1	16734689	JTOWINQKZXSGJS-GFIJVFARSA-N	506.653	4.304	10	40	KICB	
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21	33592463	YRAAEFIRCRQLPP-PCLIKHOPSA-N	509.603	4.161	10	40	KICB	
CCN1C(=O)/C(=C/c2c(N3CCN(c4cccc(Cl)c4)CC3)nc3ccc(C)cn3c2=O)SC1=S	100762280	RSOHDMQGHFWAPX-ZHZULCJRSA-N	526.087	4.204	10	40	KICB	
[N-]=[N+]=NCCOCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O	214947494	JYTFGMAXFXMYNK-LJAQVGFWSA-N	641.722	4.032	10	40	KICB	
CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	408827613	FIEQJDNGMXGGLR-MTGKDYNDSA-N	535.975	4.060	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1cc(C)cc(C)c1	408898716	MLQCXQRZXOBBIE-WSDLNYQXSA-N	501.495	4.466	10	40	KICB	
COc1ccc(N2CCN(C(=O)CN(c3ccc(C)cc3C)S(=O)(=O)c3ccc(C)cc3)CC2)cc1	408920814	NZCZQDXNJWKGSY-UHFFFAOYSA-N	507.656	4.165	10	40	KICB	
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCCCC2)cc1	13669934	YYVYKSQBQQFVSN-UHFFFAOYSA-N	508.600	4.097	10	40	KICB	
COC(=O)C[C@@H](c1ccc(O)c(Cl)c1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	96115291	HXYZBOJQIXLMLJ-LBPRGKRZSA-N	514.870	4.042	10	40	KICB	biogenic
O=C1[C@H]2[C@@H](c3cccc(F)c3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(Br)cc1	101124131	HZYSCVWIZYZWCD-QHAWAJNXSA-N	520.310	4.283	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408893104	FNFGWVJIBXCQIK-UNOMPAQXSA-N	587.473	4.365	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408899473	PRLZLRBMZVQZTN-UDWIEESQSA-N	601.431	4.296	10	40	KICB	
CCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC	408940032	NKIBQSFUPALSOM-MHWRWJLKSA-N	518.320	4.211	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1ccc(C(=O)O)cc1	409071868	LVAPWSONOKCWKB-DJKKODMXSA-N	596.346	4.310	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1	409227910	XFHSTPGDTPAMMO-HYARGMPZSA-N	517.513	4.217	10	40	KICB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c1C	409250512	QQWADYHIBCNZNF-UDWIEESQSA-N	504.568	4.459	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@H]1c1cccc(OC)c1	409334550	GYMBIMBMCAHWRR-RGFRMHDHSA-N	585.682	4.001	10	40	KICB	
COC(=O)COc1ccc(Br)cc1/C=C1\SC(=S)N(c2cccc([N+](=O)[O-])c2)C1=O	409338548	LVLODFZDZKEYKJ-PXNMLYILSA-N	509.359	4.315	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCc1ccc(Br)cc1	409373418	RWRDAVFQPBMNPJ-YBFXNURJSA-N	511.328	4.292	10	40	KICB	
CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)CC)N3CCN(c4ccc(OC)cc4)CC3)cc2c1	19941454	GCTQETVOGUBMMC-SANMLTNESA-N	515.662	4.142	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1	106015220	NMECJMQVTFBPMX-YTFSRNRJSA-N	574.383	4.321	10	40	KICB	
COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1	408769592	WJYOEDBNVIHJCU-ITYLOYPMSA-N	514.553	4.441	10	40	KICB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(OCc2ccc([N+](=O)[O-])cc2)c1	408797974	HKGARVBKDXWDNQ-YDZHTSKRSA-N	501.495	4.466	10	40	KICB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nnnn4-c4ccccc4)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1C	408993906	YAIXWOKEPFANDD-DEDYPNTBSA-N	557.617	4.170	10	40	KICB	
CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Br	409049945	YWENSRWLSCLQOE-NTUHNPAUSA-N	539.136	4.185	10	40	KICB	
CCCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccc([N+](=O)[O-])cc4)c(OC)c3)C(=O)N=C2S1	9659357	MFOSQSRHCDFUIB-OQYABBNDSA-N	509.544	4.480	10	40	KICB	
CC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C3\SC(=S)N(CCC(=O)Nc4ccc(C(C)=O)cc4)C3=O)SC2=S)cc1	150422645	SGALPOPDDWIBLF-WCWDXBQESA-N	640.790	4.381	10	40	KICB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccccn1	225387966	KSZQJKFKTYQTKD-LOSJGSFVSA-N	518.668	4.433	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408941816	PTGPLTDUCJYJHX-UDWIEESQSA-N	584.990	4.179	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	409335146	YXXGXKDCEKNGOM-IDUWFGFVSA-N	539.385	4.231	10	40	KICB	
O=c1c(Br)cc2c(-c3ccccc3S(=O)(=O)O)c3cc(Br)c(O)c(O)c3oc-2c1O	5226106	NZBIQVXBGVBMFU-UHFFFAOYSA-N	558.156	4.453	10	40	KICB	
O=C(CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	8870187	SEKCAEXIUJWOIW-YKNIDGFVSA-N	505.621	4.128	10	40	KICB	
COc1ccc(/C=C2\C(=O)N(CCc3ccccc3)C(=O)N=C2O)cc1CN1C(=O)c2ccccc2C1=O	17042955	VOHWKGJOVFVRRK-KQWNVCNZSA-N	509.518	4.036	10	40	KICB	
COC(=O)C[C@@H](c1coc2ccccc2c1=O)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12	96221850	WYFIZZSODLYELW-INIZCTEOSA-N	500.459	4.378	10	40	KICB	biogenic
Cc1ccccc1[C@@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccccc3I)C(=O)[C@H]12	100497454	UIMQIIJFXZVUIJ-FKBYEOEOSA-N	563.347	4.295	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1	408849977	CCYXRPLOWGESIU-GJFKPFFXSA-N	584.536	4.414	10	40	KICB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2Br)cc1	408885709	FGMOGEWLRMUYKU-UYRXBGFRSA-N	557.447	4.357	10	40	KICB	
CCOC(=O)COc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OCC	408983439	MEJYTSCZFIVZOG-PXNMLYILSA-N	565.804	4.418	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1	409052847	AXYINZISVYPPMZ-XDHOZWIPSA-N	550.365	4.142	10	40	KICB	
COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OC	409340459	XNXPHKKRDCYXMP-FRKPEAEDSA-N	527.361	4.443	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1	408895865	FWXAGPULQQYDJK-UDWIEESQSA-N	564.392	4.450	10	40	KICB	
CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C\c3ccc(N4CCOCC4)cc3)c2=O)=N1	409054434	AAJHHGZSQCZKKX-DBXPASCUSA-N	626.573	4.186	10	40	KICB	
COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2Cl)C1=O	409107124	VEFUBQVJKWCVOH-GXDHUFHOSA-N	506.411	4.442	10	40	KICB	
COCCNC(=O)Cn1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c2cc(Br)ccc21	409132726	KQCNUAOBUCDSNY-LSCVHKIXSA-N	510.479	4.024	10	40	KICB	
COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCc4ccncc4)c(OC)c3)SC2=S)cc1	409329009	CAAZLHAQVFBMMW-HYARGMPZSA-N	507.593	4.224	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	408695789	ZKOUFMXEFYWYJY-VCHYOVAHSA-N	560.376	4.019	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(C)c3)C2=O)ccc1OCc1ccc(C(=O)O)cc1	408762558	DTLQOOVRKJXUQK-BKUYFWCQSA-N	502.548	4.112	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C2=O)cc1	408893301	DPJRXFSGXDERKP-UDWIEESQSA-N	556.980	4.100	10	40	KICB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409077528	FWPMZBGSAIMMRO-UHFFFAOYSA-N	560.304	4.481	10	40	KICB	
CCc1cccc2c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cn(CC(=O)NC[C@H]3CCCO3)c12	409130544	INKVBDYTGDKGMV-JJUBJSHISA-N	509.653	4.493	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	409372906	NUTZEQXIQQCTAC-GIJQJNRQSA-N	511.874	4.091	10	40	KICB	
CCOc1cc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)ccc1OCC(=O)NC1CCCCC1	36612278	KXMZJHWZKZWFBP-HZHRSRAPSA-N	505.571	4.417	10	40	KICB	
COc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(I)c1OCc1ccc(C)cc1	97966251	SMZARLAZBDNILS-VCHYOVAHSA-N	522.364	4.294	10	40	KICB	
CC[C@H](C)c1ccc(OCCOc2c(Br)cc(C=C3C(=O)NC(=S)NC3=O)cc2OC)cc1	100259186	XXNLWEHLIIGWOC-AWEZNQCLSA-N	533.444	4.343	10	40	KICB	
COc1ccc(N2C(=O)[C@@H]3[C@H](c4cccc(Br)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	100414007	UKTNVCORPVFHQM-FKBYEOEOSA-N	532.346	4.153	10	40	KICB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)C(=O)NC2=S)c(C)c1	408778246	CJTQHWZDFSWNNR-KOEQRZSOSA-N	514.651	4.379	10	40	KICB	
O=C(CN1CCOCCOc2ccc(N3CCOCC3)cc2Cc2cccc(c2)C1)Nc1ccc2c(c1)OCCCO2	643588916	MGSGOVVTNGEWGP-UHFFFAOYSA-N	573.690	4.125	10	40	KICB	
COC(=O)c1ccc(C(=O)OC)c(N=NC(=O)[C@@H](Nc2ccc(N[C@@H](C(C)=O)C(=O)N=Nc3cc(C(=O)OC)ccc3C(=O)OC)cc2)C(C)=O)c1	2356096476	JESXXRGFFLPJKL-NSOVKSMOSA-N	716.660	4.193	10	40	KICB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(C(=O)O)cc4)c(OC)c3)C(=O)NC2=S)cc1	6508337	AYWSOTDHBNFIEV-HMAPJEAMSA-N	532.574	4.202	10	40	KICB	
COc1ccc(CCN2C(=O)/C(=C/c3c(N4CCCC4)nc4c(C)cccn4c3=O)SC2=S)cc1	16737447	LFZLKBXMUPNPGW-PGMHBOJBSA-N	506.653	4.056	10	40	KICB	
Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@](Cc2c[nH]c4ccccc24)(C(=O)O)N[C@H]3c2ccccc2O)cc1C	102778980	MTYRNJBYRTZUPC-YRIIQKNPSA-N	509.562	4.007	10	40	KICB	
Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\c2cc(I)c(OCC(=O)O)c(I)c2)C1=O	408777332	YRPZKQQBSMYMLP-LFYBBSHMSA-N	711.044	4.097	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	408879410	DGHPNWRKZYMPAQ-PXLXIMEGSA-N	534.590	4.445	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)N1CCOCC1	409256749	PNKAOPYLTIKIGX-MTJSOVHGSA-N	519.044	4.300	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1F	409377024	FFKKQCQFDVPZSL-CPNJWEJPSA-N	521.476	4.047	10	40	KICB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3c(C)n(CC(=O)Nc4ccc(F)cc4)c4ccccc34)C2=O)o1	409399669	KPYGDJMDMAZUBU-XKZIYDEJSA-N	530.512	4.200	10	40	KICB	
COC(=O)c1cccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)c3ccccc32)c1	408542073	GTSDKKSOUHOCEU-BUVRLJJBSA-N	509.518	4.151	10	40	KICB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5ccc(C(C)=O)cc5)c4C)c(=O)n32)cc1OCC	408938204	RYJBWGIFDMZULD-SWFNHZAASA-N	599.709	4.426	10	40	KICB	
COc1ccc(/C=C2/SC(=O)N(CCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=S)cc1	6143083	KNCBQUXCLHBOAL-HMMYKYKNSA-N	508.625	4.359	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCc4ccccc4)C3=O)c(NC[C@@H]3CCCO3)nc12	9427309	IBTPEPOHINWBJA-RAGBYUADSA-N	520.680	4.428	10	40	KICB	
COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccc(F)cc43)[C@]23SC(=S)N(Cc2ccco2)C3=O)cc(OC)c1OC	98007432	ZLPQRBQMERLBOB-MDZDMXMASA-N	583.663	4.120	10	40	KICB	
CN1C(=O)C(=Cc2cc(I)c(OCc3ccc(F)cc3)c(I)c2)C(=O)N(C)C1=S	164430923	HZXVEADDHTZFRJ-UHFFFAOYSA-N	636.224	4.213	10	40	KICB	
CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I	164451936	VOAYWKDFOFDUAY-VGOFMYFVSA-N	678.071	4.425	10	40	KICB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c(Cc2ccccc2Br)c1	408869835	RTBJEDPIVHVWTA-KGENOOAVSA-N	507.340	4.421	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	408893791	HQOSXADIPVHVGF-KGENOOAVSA-N	520.563	4.055	10	40	KICB	
CC[C@@H](C)Oc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OC	408903725	XOJXNXVCESJXLM-GFQQVXNGSA-N	538.313	4.283	10	40	KICB	
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc1	408946128	YBSAIJSCAJIHAW-LFVJCYFKSA-N	556.552	4.281	10	40	KICB	
COc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)N4CCN(c5ccccc5)CC4)C3=O)c2C)cc1	409009451	ABOXSRDHMOWADO-NLRVBDNBSA-N	530.650	4.488	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@H]1c1ccccc1	409019283	QISLQAPBKATNSU-IAOUMNOZSA-N	540.689	4.272	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1	409265730	OHCCGRKPUSXNJN-ODLFYWEKSA-N	521.016	4.432	10	40	KICB	
COc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)cc2Br)cc1	409383176	UYKCGVDTWDYTAN-MOSHPQCFSA-N	550.365	4.142	10	40	KICB	
O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1cc(Cl)cc(I)c1O	852853	BZZQXEUJXNAGBS-LFYBBSHMSA-N	563.598	4.244	10	40	KICB	
CCCCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2C1=O	103130047	WTADZOUZFXQYKK-INIZCTEOSA-N	524.529	4.042	10	40	KICB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c1C	223231752	UQPJPSJATFUGHT-RPBOFIJWSA-N	508.648	4.330	10	40	KICB	
COc1cc(S(=O)(=O)Nc2ccccc2)ccc1N/C=C1\C(=O)NC(=O)N(c2cc(C)c(Br)cc2C)C1=O	408530904	JUEGGPRSODYMBV-XMHGGMMESA-N	599.463	4.454	10	40	KICB	
CNc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1I	408856469	KHLVZOUSUFWVRH-VGOFMYFVSA-N	601.182	4.221	10	40	KICB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(OCC)c(OC)c3)C2=O)cc1	408900716	UAMLDWISVCSZED-BOPFTXTBSA-N	503.349	4.312	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)c(OCC(=O)Nc4ccc(C)cc4C)c(OC)c3)C2=O)cc1	409255473	KSJYZEZMIGSDFB-MTJSOVHGSA-N	683.455	4.387	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409365695	VWHFRNYRRNPNNR-ODLFYWEKSA-N	631.423	4.288	10	40	KICB	
CCc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(I)cc3)C(=O)NC2=S)cc1	409381174	KNPLETQPUMBJTI-XSFVSMFZSA-N	527.387	4.476	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Br)c1OCC(=O)OC(C)C	409400501	RZIUJWGQJXOKKJ-YBEGLDIGSA-N	582.245	4.402	10	40	KICB	
COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCc2ccccc2)c2ccc(N3CCOCC3)cc2)cc1	6136608	JGLLTJFZQAVCQG-MGBGTMOVSA-N	590.684	4.367	10	40	KICB	
Cc1ccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C	13649790	GOJJRXDFOAQDAA-UHFFFAOYSA-N	528.074	4.305	10	40	KICB	
CCOc1ccc(OCC)c(N2C(=O)N=C(O)/C(=C/c3cc4c(cc3Br)OCO4)C2=O)c1	59105095	HTXUSFULXSPNTR-AUWJEWJLSA-N	503.305	4.482	10	40	KICB	
CCCCCCN1C(=O)NC(=O)/C(=C\c2c(CCN(C)C(=S)NCc3ccccc3)cc3c(c2OC)OCO3)C1=O	97968984	GYJDDDZDXRZZHL-HAVVHWLPSA-N	580.707	4.015	10	40	KICB	
COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1OCc1ccc(I)cc1	103856773	OPHRXFMCVWDNCU-UHFFFAOYSA-N	601.260	4.240	10	40	KICB	
CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\c1cc(Br)cc(Br)c1OC(C)C	108422682	WNENGOVOKQITOU-MFOYZWKCSA-N	557.264	4.452	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OC	408897255	MIYNSOFLUQJYJX-QPEQYQDCSA-N	524.165	4.204	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OCc1ccccc1	408956918	ZGNUHECYWIPTTO-GIJQJNRQSA-N	551.349	4.432	10	40	KICB	
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3cc(C)n(-c4ccc(OC)cc4)c3C)c2=O)=N1	409038828	VVUHRQCOINWAMX-DBXPASCUSA-N	527.646	4.214	10	40	KICB	
COc1ccc(CN2C(=O)/C(=C/c3cn(CC(=O)NC[C@@H]4CCCO4)c4ccccc34)SC2=S)cc1	409123133	FFCGDZVXPUGLMQ-JWRUUXOFSA-N	521.664	4.347	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1	409223077	GIYASYDMYMIFON-HYARGMPZSA-N	549.967	4.431	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	409273606	KIFXNEVIAMSHPD-RYOBIWAXSA-N	589.718	4.009	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NN(c3cccc(Cl)c3)C2=O)c(Br)c(Br)c1O	669333	DKBNRQQMONMAKD-WUXMJOGZSA-N	516.573	4.431	10	40	KICB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl	1407525	KAZHTICXUXHCBV-UHFFFAOYSA-N	516.200	4.258	10	40	KICB	
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)C3CC3)c3ccc(OC)cc32)S1	6190963	WDXJKHKUJFTDPO-UHFFFAOYSA-N	505.639	4.307	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	8451418	WFEXIXVEPFOHAY-PKYOQBLNSA-N	615.708	4.311	10	40	KICB	
COc1ccc(/C=C2/C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1COc1ccc(NC(C)=O)cc1	13773778	GOQYSVQBOVBHAS-OYKKKHCWSA-N	517.513	4.034	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)ccc1OCc1cccc(C(=O)O)c1	59678487	SCQOTMKHXWPSEC-FYJGNVAPSA-N	500.507	4.256	10	40	KICB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c1C	102766957	NSKYMGLEIFZRNX-PEYOBPGZSA-N	525.034	4.388	10	40	KICB	
CN1C(=O)C(=Cc2ccc(OCc3ccc(Br)cc3)c(I)c2)C(=O)N(C)C1=S	103856435	ZYJCPPVORYSIJU-UHFFFAOYSA-N	571.234	4.231	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br	408767723	GNULBVJKUXNGDZ-QJWUKVPRSA-N	665.404	4.407	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCc1ccccc1	408794619	AAJDYMKHGWNNDA-YBFXNURJSA-N	570.339	4.251	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@H]1c1ccc(C)cc1	408823254	DNIJYIXMMWOSIS-GKTKDVHMSA-N	555.656	4.243	10	40	KICB	
Cc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c(C)n1-c1ccc(Cl)c([N+](=O)[O-])c1	103122398	BFHYYEJOFKRWRI-BWBREFNUSA-N	540.005	4.287	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1	408900075	RJXVYRYNPBGAHW-OEAKJJBVSA-N	513.550	4.304	10	40	KICB	
COc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc1OC	409329708	HPWOJUAJWNPCGA-BKUYFWCQSA-N	555.659	4.329	10	40	KICB	
COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC(C)(C)C)c2ccc(N(C)C)cc2)cc1	6074553	LLDSQRLSZSYJRY-HHHXNRCGSA-N	514.630	4.195	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1	8438593	HAPKCIXXSVAWOS-RGFRMHDHSA-N	585.682	4.001	10	40	KICB	
CC(C)c1ccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)cc1	13647144	VKVCTJPQAPWRAP-UHFFFAOYSA-N	507.656	4.158	10	40	KICB	
O=C(O)COc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1I	408786750	MVYFKFVIZKHVIU-RUDMXATFSA-N	703.079	4.497	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCC(N)=O	408954549	RINSBWJUQZCSPW-WYMPLXKRSA-N	543.620	4.084	10	40	KICB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccn1-c1ccc(I)cc1	408960106	BUBAWQCUUOEZKT-LDADJPATSA-N	517.710	4.402	10	40	KICB	
CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C\c3ccc(N4CCN(C)CC4)c([N+](=O)[O-])c3)c2=O)=N1	409036196	AMIJHIXPYFKXPH-ASZNLBCTSA-N	684.613	4.010	10	40	KICB	
CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(N(CC)CC)cc4O)c(=O)n32)cc1	409038179	ZTOCIXLTCJHZQB-QPJBPQEWSA-N	549.693	4.137	10	40	KICB	
O=C(Cn1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c2ccccc21)NC[C@H]1CCCO1	409127130	BYYAQQKEVROSGA-RRFFURKPSA-N	505.665	4.380	10	40	KICB	
COC(=O)COc1cc(Br)c(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc1OC	409328014	PBPSHQKUHLDLKZ-GIJQJNRQSA-N	524.414	4.424	10	40	KICB	
O=C(NC1CCCCC1)[C@H](c1ccc(O)c(O)c1)N(C(=O)Cn1nnc2ccccc21)C1CCCCC1	902696	AHPPDAWTVMEXJJ-MHZLTWQESA-N	505.619	4.194	10	40	KICB	
CN1CCc2c(sc3c2C(O)=N[C@H](c2cc(Br)cc(I)c2O)N3)C1	1246558	RJASEQDTFXFBAS-AWEZNQCLSA-N	520.190	4.238	10	40	KICB	
COc1ccc(N2CCN(C(=O)CN(Cc3ccccc3Cl)S(=O)(=O)c3ccc(C)cc3)CC2)cc1	22861063	MNEFHOATTOCGHR-UHFFFAOYSA-N	528.074	4.197	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	100941621	PYBFTGQGPRGPBA-LCQSEVKBSA-N	602.669	4.131	10	40	KICB	
CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\c1cc(I)cc(I)c1OC(C)C	150464141	KJPYQIAHEHZQKT-MFOYZWKCSA-N	651.264	4.137	10	40	KICB	
CCCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1OCC	408804382	FGARSDBAMHNPPU-LFIBNONCSA-N	520.323	4.145	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1cccc(F)c1	408898739	MSTSKSWQXQXBAN-CIAFOILYSA-N	505.458	4.378	10	40	KICB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC	409087601	JAPPBVYHPPAABQ-QYTZQGLJSA-N	589.718	4.011	10	40	KICB	
Cc1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1	409193863	GHTRKPIRSBUIIK-STZFKDTASA-N	541.446	4.098	10	40	KICB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OCC(=O)Nc4ccc(F)cc4)c3)C2=O)cc1Cl	409363058	JGNNZDRPLTWEIV-CIAFOILYSA-N	507.905	4.471	10	40	KICB	
Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCOCC4)cc3)ccc2Cl)c1	13668740	JLZILFWYVZURQE-UHFFFAOYSA-N	500.020	4.216	10	40	KICB	
CCSC1=NSC2=NC(=O)/C(=C\c3ccc(OCCOc4cccc(OC)c4)c(OC)c3)C(=N)N12	20114661	RQUBIJNXVWENPX-JLFKZYKSSA-N	512.613	4.491	10	40	KICB	
CC[C@H](C)c1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(CC(=O)N5CCOCC5)SC4=NC3=O)c2C)cc1	103596377	OZFZFOVRZJHEEP-SQCFNSSFSA-N	532.670	4.476	10	40	KICB	
Cc1c(Br)ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1C	408677562	AVRDRHAJKNZSNL-VIZSFHNOSA-N	539.426	4.110	10	40	KICB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1	408769283	QKILSDPAVOMYID-BUVRLJJBSA-N	504.974	4.251	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1/C=C/c1ccccc1	8818350	MTMMWWZCWPGIKB-GBNHVWNFSA-N	501.652	4.310	10	40	KICB	
COc1cccc(OCCOc2c(OC)cc(/C=C3/C(=N)N4C(SC)=NSC4=NC3=O)cc2OC)c1	101348207	SYYCTXRZYIPKLL-CGQRCSLRSA-N	528.612	4.110	10	40	KICB	
COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C	223039979	UTFAXUVUKLEXMJ-SXOMAYOGSA-N	505.688	4.335	10	40	KICB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550673	GFGOKMRAFIEEIN-UHFFFAOYSA-N	573.252	4.086	10	40	KICB	
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(-c2ccc(I)cc2)o1	408851620	DMZKZXSTSKRCTO-GZTJUZNOSA-N	502.239	4.357	10	40	KICB	
O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1	409071374	QYJDSXRWXRWBCJ-VCHYOVAHSA-N	562.343	4.336	10	40	KICB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCC(=O)Nc3cccc(C)c3)C2=O)cc1OC	409255275	GVPVZLIYTBQXJW-KQWNVCNZSA-N	543.576	4.476	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1	409265063	SDAPEIVISUKCLD-BKUYFWCQSA-N	514.625	4.396	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(I)c1OCc1ccc(C(=O)O)cc1	409374569	UBCOTFQPHZLAKC-VXLYETTFSA-N	616.364	4.222	10	40	KICB	
O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1Cl)Nc1ccccc1F	409385828	JRODIKGMFLWSJO-RVDMUPIBSA-N	511.868	4.302	10	40	KICB	
COc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]23)cc1OC	13632851	RQTMGQSVONNSPC-VJBWXMMDSA-N	517.921	4.052	10	40	KICB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1C	97946439	PXOBGOCMECCKEY-CWGWECIMSA-N	525.677	4.245	10	40	KICB	
CC(=O)Nc1ccc(N2C(=O)/C(=C3\SC(=S)N(c4ccc(NC(C)=O)cc4)C3=O)SC2=S)cc1	101016933	NYRNVGAQFFSFSK-ISLYRVAYSA-N	528.662	4.245	10	40	KICB	
CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1I	408905535	YWHMDUZTUBMIIC-XNTDXEJSSA-N	506.365	4.138	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1	408917346	RMZYITAUHMEXQY-ODLFYWEKSA-N	584.423	4.446	10	40	KICB	
Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)cc2Br)cc1	409374634	VLTREBJXVFZQDB-YBFXNURJSA-N	538.354	4.030	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4OC)c(Br)c3)C2=O)cc1	409377077	GBUKNQSWBKFZCG-CPNJWEJPSA-N	580.391	4.150	10	40	KICB	
Cc1ccc(N(Cc2ccc(C(=O)NCc3ccc(N4CCOCC4)cc3)cc2)S(C)(=O)=O)cc1C	10113374	KQTQFHUVOZAJGA-UHFFFAOYSA-N	507.656	4.036	10	40	KICB	
O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1	13757827	KDTRLOYYBSGZHG-NCELDCMTSA-N	519.648	4.242	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	27015503	UPLJYZMLRKLEOP-BRLDDBHUSA-N	500.554	4.203	10	40	KICB	
COc1c(/C=C2/C(=O)NC(=O)N(c3c(C)cc(C)cc3C)C2=O)c(CCN(C)C(=O)c2ccccc2)cc2c1OCO2	70672107	MLRJRMGAKHVCDL-JLPGSUDCSA-N	569.614	4.330	10	40	KICB	biogenic
CN1C(=O)C(=Cc2cc(Br)c(OCc3ccccc3)c(Br)c2)C(=O)N(C)C1=S	103855653	FILGWJKJAQCPTF-UHFFFAOYSA-N	524.234	4.389	10	40	KICB	
CN1C(=O)C(=Cc2cc(Br)ccc2OCc2ccc(I)cc2)C(=O)N(C)C1=S	103857504	CIMOBINDZJGACZ-UHFFFAOYSA-N	571.234	4.231	10	40	KICB	
COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(OCC(=O)NCc2ccccc2)cc1	408873261	RSGWVDFXCQMRJC-IMRQLAEWSA-N	570.642	4.314	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	408983451	KKZGLJXQFBWKLR-GWRYVSOYSA-N	615.708	4.342	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccccc1	409064796	GILOVZAFNWKHNE-WOJGMQOQSA-N	638.823	4.387	10	40	KICB	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)c3)c2C)cc1	3348278	LYODFRDURSVJGW-SFTDATJTSA-N	524.639	4.240	10	40	KICB	
CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCC3)cc2)c2ccc(F)cc2)cc1	13667726	CZORIAGDNGIHCS-UHFFFAOYSA-N	511.619	4.336	10	40	KICB	
COC(=O)C[C@H](c1ccc2ncccc2c1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	96222812	BEFSJYDSBLFNQS-MRXNPFEDSA-N	515.474	4.231	10	40	KICB	biogenic
O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)N3CCCCCC3)C2=O)SC1=S)N1CCCCCC1	101002465	GVQYQHGLHUBYMJ-QURGRASLSA-N	596.866	4.284	10	40	KICB	
O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Br)cc1)[C@@H](c1cccc(F)c1)OC21C(=O)c2ccccc2C1=O	101124136	HZYSCVWIZYZWCD-NJDAHSKKSA-N	520.310	4.283	10	40	KICB	
O=C1C[C@@H](c2cccc(Oc3ncccn3)c2)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1	108450277	IKUVUITZQQGDKG-INIZCTEOSA-N	526.457	4.306	10	40	KICB	biogenic
COc1cccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c1OCC(=O)Nc1ccc(F)cc1	408894340	CCRVTIDAQBEBCW-HYARGMPZSA-N	517.513	4.135	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1	409083048	KLJAEMQPDJDMJF-ZDGAQAAHSA-N	600.535	4.121	10	40	KICB	
O=C(NN1C(=O)/C(=C/c2ccc(O)c(I)c2)SC1=S)c1ccc(Cl)cc1	409337995	AYZDVHVNMWVPNP-ZSOIEALJSA-N	516.769	4.196	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@@H]1c1cccs1	8451573	BMCGBNOFRRQPQP-KMBIYUNPSA-N	575.712	4.362	10	40	KICB	
COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(N(C)C)cc5)c(=O)n42)c2ccccc2CC3)cc1OC	16186399	UJUOEOWPPWUISA-HRIDGTDGSA-N	523.658	4.402	10	40	KICB	
Cc1ccc(CN2C(=O)[C@@H]3[C@@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1	101113812	BLAATVRAIPYQGN-YTFSRNRJSA-N	530.374	4.448	10	40	KICB	
CN1C(=O)[C@]2(c3cc(Cl)ccc31)N(C)C[C@H](c1cccnc1)[C@]21SC(=S)N(Cc2ccccc2)C1=O	106021672	KYNOTMXSBHKBMJ-COFKYPDJSA-N	535.094	4.435	10	40	KICB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c1C	223231698	UQPJPSJATFUGHT-JWQCQUIFSA-N	508.648	4.330	10	40	KICB	
O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1	408536058	VMYGLHIDXDYXCD-HAVVHWLPSA-N	512.547	4.219	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	408694612	KPIGHICGIZADAK-YBFXNURJSA-N	556.413	4.188	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1	409019287	QISLQAPBKATNSU-RYOBIWAXSA-N	540.689	4.272	10	40	KICB	
CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(N(CC)CC)cc4OC)c(=O)n32)cc1	409036563	RRGXSUKALSTEAB-XQNWCSQWSA-N	563.720	4.440	10	40	KICB	
COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)C2=O)cc1	409179254	LGKNKPJPPLOGTK-LPYMAVHISA-N	505.552	4.476	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F	409378621	QMSSYEXRTWDWGZ-MFOYZWKCSA-N	568.901	4.080	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(Cc4ccc(Cl)cc4)c4ccccc43)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	409391353	YEXLAYJSXHAVRJ-TXTDGAROSA-N	613.139	4.435	10	40	KICB	
CCCOc1cc(N(CC)CC)ccc1/C=C1\C(=O)NN(c2ccc(I)cc2)C1=O	4046436	BALHLOQIHDBXSR-XSFVSMFZSA-N	519.383	4.388	10	40	KICB	
CCOC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccc(Br)cc4C(=O)O)o3)C2=O)cc1	8443246	FQJOGTZGTMSFHO-UNOMPAQXSA-N	525.311	4.045	10	40	KICB	
Cc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)cc1	101395929	BDMUYENKUFCAPM-NKFJNAIASA-N	526.640	4.100	10	40	KICB	
COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	408531698	QAJKWSNEUDQNCQ-LSCVHKIXSA-N	599.834	4.386	10	40	KICB	
O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Br)Nc1ccccc1	409047272	NZHBDMRKCQGCQE-CPNJWEJPSA-N	520.339	4.133	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OS(=O)(=O)c1ccc(Cl)cc1	409067297	QBFYLVPUTSNXBF-UDWIEESQSA-N	571.951	4.081	10	40	KICB	
COc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)cc2Cl)cc1	409370281	OCVMZYGMCJOBGI-MOSHPQCFSA-N	505.914	4.033	10	40	KICB	
Cc1ccc2c(c1NC(=O)C(=O)Nc1c(C)ccc3c1C(=O)c1ccccc1C3=O)C(=O)c1ccccc1C2=O	4265772	UMHDNSIHVQJAQP-UHFFFAOYSA-N	528.520	4.431	10	40	KICB	biogenic
CCc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)cc1	6134771	MQFRAEZTDCTPHC-RUZDIDTESA-N	548.713	4.290	10	40	KICB	
COc1ccccc1NC(=O)COc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OC	150481389	RRHUEDOLUHRXEB-UNOMPAQXSA-N	641.418	4.301	10	40	KICB	
COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1I	408722207	FEYCVYZENFSJNM-IZZDOVSWSA-N	533.174	4.438	10	40	KICB	
CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1I	408982630	IOBIHPZJILVGHP-ZSOIEALJSA-N	510.715	4.318	10	40	KICB	
COC(=O)COc1c(I)cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1OC	409352958	ZSKZSAWMXCCTRN-SXGWCWSVSA-N	618.858	4.051	10	40	KICB	
COc1cc(Br)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc2c(c1)OCO2	409405938	IXABZIDUIDMGQX-YBFXNURJSA-N	523.339	4.227	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(NC[C@@H](O)c3ccccc3)nc12	9461985	KAUHXARLEODCBV-TTYLXTBDSA-N	518.620	4.143	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(I)c1OCC	14133061	NMVHHASLSOBVHV-XNTDXEJSSA-N	520.323	4.063	10	40	KICB	
COc1ccc(C(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)cc2OC)cc1	408528102	AUIOADNHNLBQEZ-DEDYPNTBSA-N	551.349	4.352	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCC	408812875	PTSMGHJSRBXCMD-OVCLIPMQSA-N	540.741	4.408	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)c(=O)n2[C@@H]1c1ccc(C)cc1	408825463	IKIJONWDXYIUOJ-CRCYZHLCSA-N	556.644	4.422	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(I)o3)C2=O)c(OCC)c1	408950531	GCYGPOVLLWYYRO-KPKJPENVSA-N	575.153	4.111	10	40	KICB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cn(CC(=O)Nc3ccccc3)c3ccccc23)C1=O	409242805	PDRCGUGMEGKVGS-CJLVFECKSA-N	508.534	4.345	10	40	KICB	
COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1I	409246799	BITWWNJRYRAUCA-MHWRWJLKSA-N	506.365	4.255	10	40	KICB	
C[C@H]1CN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)C[C@H](C)O1	107626720	DMILYCJQXMSZDS-LJXHFQJJSA-N	506.653	4.271	10	40	KICB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1	408887835	UGZYYNRUDUSNTE-ZHZULCJRSA-N	557.447	4.357	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC(=O)Nc4ccccc4F)c(OC)c3)C2=O)cc1	409382814	PCQFWZCUBPRXIK-WOJGMQOQSA-N	598.381	4.289	10	40	KICB	
Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCc2ccccc2)c2ccc(N(C)C)cc2)c1C	6442832	LYMOLTXJLVQDHX-AREMUKBSSA-N	556.692	4.212	10	40	KICB	
COc1ccc(/C=C2/C(=O)N=C(O)N(c3c(C)cc(C)cc3C)C2=O)cc1CN1C(=O)c2ccccc2C1=O	17014444	NHJRWMDLLWCHDF-UCQKPKSFSA-N	523.545	4.287	10	40	KICB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1C	103858950	ADLULYQJZWLQDY-YBFXNURJSA-N	539.342	4.440	10	40	KICB	
COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCN(C)C)c2C)c([N+](=O)[O-])c1	223232047	MBDZCFLJOCDZLL-LOSJGSFVSA-N	508.648	4.330	10	40	KICB	
COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c1OCc1ccc(C(=O)O)cc1	409188474	ZOSSOOPVLVBOOJ-KGENOOAVSA-N	502.548	4.112	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(Br)c(Br)c1O	409235087	AGLAJBCYUMBKNH-RMKNXTFCSA-N	546.624	4.411	10	40	KICB	
COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1	408882424	NZQKKSFUYXBLGZ-YKNQWPHKSA-N	510.974	4.209	10	40	KICB	
O=C(COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O)Nc1ccccc1	409047156	NBXHDXZGIBCZIL-DEDYPNTBSA-N	538.329	4.272	10	40	KICB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccccc1OC	409098539	ITHCRNMTBLRJKL-NNAGEYCMSA-N	599.713	4.428	10	40	KICB	
COc1ccc(CN2C(=O)[C@]3(SC2=S)[C@@H](c2ccco2)CN(C)[C@@]32C(=O)N(C)c3ccc(F)cc32)cc1	106015619	GYDZPKJRCCKGEO-JAMKYWPSSA-N	537.638	4.128	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3OC)C2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	408538240	ZMQHNPLYTICHBH-BAWSUDPCSA-N	557.515	4.287	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	409068119	FTHOBRWFXRHYEC-VCHYOVAHSA-N	607.822	4.251	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccccc1OC	409385085	HIJZSMVUMZOXSX-JCMHNJIXSA-N	543.576	4.395	10	40	KICB	
O=C(NCc1ccccc1)[C@H](c1ccc(N2CCOCC2)cc1)N(C(=O)Cn1nnc2ccccc21)c1cccc(F)c1	906323	VWWAUVBKRBWSLR-YTTGMZPUSA-N	578.648	4.498	10	40	KICB	
CCCCN1C(=O)C(=C/C=C/C=C2/Oc3ccccc3N2CCCS(=O)(=O)O)C(=O)N(CCCC)C1=S	3873773	SKDUSRXOWAXOCO-ZREQCHBWSA-N	547.699	4.043	10	40	KICB	in-vitro
CCc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@@H]23)cc1	18249462	IPVRXYPKVIERMQ-SGNDLWITSA-N	510.502	4.161	10	40	KICB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1	66112156	KQCDMSRADDCNMJ-LMKKRCETSA-N	539.657	4.010	10	40	KICB	
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(I)c(O)c(I)c1	150662579	XFDLODIXHDSPMN-VZUCSPMQSA-N	638.981	4.030	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)Nc4cccc(C)c4)c(OC)c3)C2=O)cc1	409044401	COUSJAXWQHDYIX-CIAFOILYSA-N	577.977	4.128	10	40	KICB	
CCOC(=O)COc1c(Br)cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)cc1OC	409197397	DMTONURHWHOFIK-YVLHZVERSA-N	525.446	4.355	10	40	KICB	
CCc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCC(C)C)c2ccc(N(C)C)cc2)cc1	6134773	OKQLNLRTNLPNCU-XMMPIXPASA-N	536.702	4.003	10	40	KICB	
CN1C(=O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21	8777969	VXISDTKQSFGMDN-ONUIUJJFSA-N	513.619	4.228	10	40	KICB	
COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N(CCO)c3ccccc3)C2=O)cc1	8820120	PPRLZFSITVGMHL-PYCFMQQDSA-N	512.653	4.260	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(Cc4cccc(F)c4)c(OC)c3)C2=O)cc1	408875282	IOZKXRIBKHBKHG-CIAFOILYSA-N	614.367	4.483	10	40	KICB	
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1	408898114	UPYDEWQGXMQHKX-LFVJCYFKSA-N	528.542	4.288	10	40	KICB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3ccc(N4CCOCC4)cc3)c2=O)=N1	409058221	JJTBZJOQKRBDCN-QWYUUOJISA-N	571.102	4.364	10	40	KICB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OS(=O)(=O)c1ccccc1	409071878	QILBRWZSCSHOGH-CPNJWEJPSA-N	517.346	4.428	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C	409266065	OHUDNUZWYUPVPJ-HZHRSRAPSA-N	543.576	4.395	10	40	KICB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1	409400901	UXPPEDCFUUIELS-ZDLGFXPLSA-N	539.298	4.306	10	40	KICB	
CC1=NN(c2ccccc2)C(=O)/C1=c1\s/c(=C2\Sc3ccccc3N2C)c(=O)n1-c1cccc(C)c1	100266429	QBHSPJDKABDOMC-JTFGNLGHSA-N	510.644	4.089	10	40	KICB	
CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N1CCN(C)CC1	408535607	UAOQURJZOAJAKU-LGMDPLHJSA-N	538.450	4.118	10	40	KICB	
COCCN1C(=O)/C(=C/c2cc(I)c(OC(C)C)c(OC)c2)C(=O)N(c2ccccc2)C1=O	409015180	ASSAOQYDERYDOQ-PDGQHHTCSA-N	564.376	4.112	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1	409068356	SHQLJFKILPWNPS-RGVLZGJSSA-N	536.924	4.388	10	40	KICB	
O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Cl)c1	409069602	WGAWFWWLSDFGCU-VXLYETTFSA-N	521.869	4.192	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1OC	409378346	OISRQJQSQOSGLC-UNOMPAQXSA-N	594.964	4.339	10	40	KICB	
Cc1cc(C(=O)COC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc(Br)cc1	3294385	PESAUFMJGURDIO-MRXNPFEDSA-N	509.356	4.267	10	40	KICB	
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)[C@H]3CCCO3)c3cc(C)ccc32)S1	59471503	AARKAJATUNVRQS-OAHLLOKOSA-N	519.666	4.375	10	40	KICB	
COc1ccc(CCN2C(=O)/C(=C/c3c(NC[C@H](O)c4ccccc4)nc4ccccn4c3=O)SC2=S)cc1	97947272	NTLYRHUEUUAPOV-HBVBNRCBSA-N	558.685	4.293	10	40	KICB	
COc1ccc(CN2C(=O)[C@@]3(SC2=S)[C@H](c2ccncc2)CN(C)[C@]32C(=O)N(C)c3ccc(Cl)cc32)cc1	101557408	PIAGVSRZVXHIRF-ZGOJTZKKSA-N	565.120	4.444	10	40	KICB	
Cc1cc(N2C(=O)NC(=O)/C(=C\NC(=O)Nc3cccc(Cl)c3Cl)C2=O)ccc1Br	408529123	GZZMVDJXORVTBH-DHZHZOJOSA-N	512.147	4.353	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)c(Br)c1O	408771711	BKWTTYSLIYCXGL-NTUHNPAUSA-N	524.165	4.209	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)cc4)c(Br)c3)C2=O)cc1	408886906	MXMOQGCBZZBEDE-DEDYPNTBSA-N	571.405	4.200	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccc(Br)cc1	408951818	MSEPUODFXVAARG-VXLYETTFSA-N	551.349	4.432	10	40	KICB	
COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1	409018439	WUTJFDZHYAWFNA-YBFXNURJSA-N	558.374	4.307	10	40	KICB	
O=C(O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Cl	409046949	LPZJNFGXHIUTFW-UDWIEESQSA-N	506.898	4.049	10	40	KICB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(OCC)c(O)c(Br)c2Br)C1=O	409229727	UFXIPRUTARTRNQ-FMIVXFBMSA-N	554.191	4.381	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	6354148	JUNHKXWZWRSOPJ-KMBIYUNPSA-N	592.073	4.476	10	40	KICB	
O=C(NCc1ccccc1)[C@@H](c1ccc(N2CCOCC2)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCCO2	6446222	XFUMSPGNZUBUKF-UUWRZZSWSA-N	618.694	4.130	10	40	KICB	
COc1ccccc1NC(=O)[C@H](/N=N/c1ccc(-c2nc3ccc(C)c(S(=O)(=O)O)c3s2)cc1S(=O)(=O)O)C(C)=O	100414964	JEPNNQGUMUZZHF-PNCZSKEESA-N	618.671	4.454	10	40	KICB	
Cc1ccccc1COc1ccc(/C=C2/C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)cc1Cl	101168644	LJSXOPULZOEUQX-XQWBAOJFSA-N	538.029	4.095	10	40	KICB	
COc1ccc(N2CCN(C(=O)c3ccc4c(c3)CCN4S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1	225845345	TXKNAZSYCKBJMZ-UHFFFAOYSA-N	512.031	4.062	10	40	KICB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NCc1ccc(N2CCC[C@H](C)C2)cc1	260813190	QICGCHREBXBWSJ-QFIPXVFZSA-N	513.704	4.355	10	40	KICB	
CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C3/C(=O)N(c4ccc(Cl)cc4)C(C)=C3C(=O)OC)o2)cc1	408850777	QZDREXLGLMTCTB-BUVRLJJBSA-N	592.004	4.242	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(F)c4)c(OC)c3)C2=O)cc1	408889105	DQTHWQGMTSLIKQ-HYARGMPZSA-N	518.497	4.256	10	40	KICB	
COc1ccc(N2CCN(C(=O)c3ccc4c(c3)C[C@H](C)N4S(=O)(=O)c3ccc(C)cc3)CC2)cc1	10327102	BVCFBCBELCFSDK-NRFANRHFSA-N	505.640	4.106	10	40	KICB	
CC[C@H](C)c1ccc(OCCOc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)cc1	101393669	OCDRTZGBGNVQEH-VPOSULDLSA-N	526.640	4.279	10	40	KICB	
COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN(C)C)c2C)c([N+](=O)[O-])c1	223231990	MBDZCFLJOCDZLL-RPBOFIJWSA-N	508.648	4.330	10	40	KICB	
CCCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc1OC	408818454	WXJOALKTTZDOTG-MHWRWJLKSA-N	534.350	4.372	10	40	KICB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)NCc4ccco4)cc3)C(C(=O)OC)=C2C)cc1	408995367	BUGWVWJJEVDAHW-XYGWBWBKSA-N	516.550	4.251	10	40	KICB	
O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)C1=O)Nc1ccc(F)cc1	409157320	IMOWTDZPKXCGAB-VXLYETTFSA-N	510.455	4.157	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc(Br)c1OCC	409168356	QRJFNNVTYOBAAL-GXDHUFHOSA-N	505.390	4.086	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(NC[C@H](O)c3ccccc3)nc12	26531759	KAUHXARLEODCBV-GAASDFDMSA-N	518.620	4.143	10	40	KICB	
NC(=O)c1c(NC(=O)CCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)sc2c1CCCC2	101006192	OZBRSXSZKLSKEU-WQRHYEAKSA-N	529.665	4.075	10	40	KICB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)cc1NS(C)(=O)=O	225474328	JQOHSRKVBPLEMH-FTJBHMTQSA-N	548.694	4.441	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408895509	KYDBLFHKMZEHSV-UDWIEESQSA-N	540.981	4.400	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	409019317	RACATODUGGABPO-FHQMNNMHSA-N	613.692	4.030	10	40	KICB	
CC(=O)Nc1ccc(/N=N/c2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(OC(=O)c4ccc(N)cc4)c3c2O)cc1	4523163	FXVSFWGJQNDQDU-ZQHSETAFSA-N	600.587	4.214	10	40	KICB	
COc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]23)cc1OC	100562389	RQTMGQSVONNSPC-VABKMULXSA-N	517.921	4.052	10	40	KICB	
Cc1cccc(COc2ccc(/C=C3/C(=N)N4N=C(CC(=O)N5CCOCC5)SC4=NC3=O)cc2Cl)c1	101111488	GIIQSKWTVBSXAB-XQWBAOJFSA-N	538.029	4.095	10	40	KICB	
COc1ccc(N2CCN(CN3C(=O)[C@@]4(OCC[C@@H](Oc5ccc(Cl)cc5)O4)c4ccccc43)CC2)cc1	104161817	JNVVQAJVXLWWKP-LMSSTIIKSA-N	536.028	4.470	10	40	KICB	
COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(OC)cc2[N+](=O)[O-])c1C	223727806	XABWLWUAEUUWMU-RPBOFIJWSA-N	523.615	4.332	10	40	KICB	
O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1cc(Cl)ccc1Cl	408691186	YRWYBANXKQFXHZ-OPYAIIAOSA-N	501.366	4.038	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3cccc([N+](=O)[O-])c3)C2=O)cc1	408805453	KCLLGZAQVAVDAE-OEAKJJBVSA-N	545.504	4.026	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	409018956	XRHMQMRNHGHJDF-PYCBVSLESA-N	612.752	4.367	10	40	KICB	
COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc(Br)c1OCc1cccc(F)c1	9310591	UJTREIOSXLTACC-LZYBPNLTSA-N	512.378	4.462	10	40	KICB	
Cc1ccc(C)c(OCCOc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2Cl)c1	97964411	NIYHUMKYGBEALJ-LXEXHQCYSA-N	533.031	4.036	10	40	KICB	
CC1=NN(c2cccc(C)c2)C(=O)/C1=C\Nc1cc2c(cc1N1CCN(c3ccccc3)CC1)n(C)c(=O)n2C	408533584	OLBVBCUDXQBKLM-QQTULTPQSA-N	535.652	4.231	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)OC(C)C	408600966	HVXPREDFTOUOJD-ODLFYWEKSA-N	521.016	4.225	10	40	KICB	
CCOC(=O)COc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OCC	408772061	AKBSIOCOKHFDIQ-VCHYOVAHSA-N	545.386	4.073	10	40	KICB	
CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1	408779767	KDBUWLYJPDLXID-QCOJXGBLSA-N	518.610	4.245	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	408982183	IVXCAIWMACFKHX-PQRKSKNISA-N	598.725	4.058	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OC(C)C	409012698	RIKWDXUXMVIUNE-LICLKQGHSA-N	519.417	4.475	10	40	KICB	
Cc1cc(/C=C2\NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	409122888	CRXXBLNYXVQVRC-JCMHNJIXSA-N	503.584	4.101	10	40	KICB	
COc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1OC	409382149	LMEJJPXQLAPZSI-AQTBWJFISA-N	549.967	4.350	10	40	KICB	
O=C(NC1CCCC1)[C@@H](c1ccc(N2CCOCC2)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1ccco1	13025022	CAJMDUDJJVTKFB-MUUNZHRXSA-N	531.609	4.287	10	40	KICB	
COc1ccccc1N1C(=O)[C@@H]2[C@@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O	100676737	SYMMNTVNUXJENJ-FDFHNCONSA-N	532.346	4.153	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OC(C)C	408805909	IGFDYKUXJQGPRW-RQZCQDPDSA-N	534.350	4.370	10	40	KICB	
COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1	408907588	NWCIZMOIIOOEFL-LFVJCYFKSA-N	608.047	4.120	10	40	KICB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(O)c(OCC)c3)C2=O)cc1OC	409128242	DIHCAZWWSSADLZ-CXUHLZMHSA-N	533.375	4.013	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1	409224691	NDWVVFOJRTVVIA-HZHRSRAPSA-N	529.549	4.086	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1	409226469	TYOVPJRSFDMBDM-OEAKJJBVSA-N	513.550	4.304	10	40	KICB	
COc1cc(OC)cc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)c(O)c2)c1	902671	FWJMGZRRDFLSFL-GDLZYMKVSA-N	559.623	4.083	10	40	KICB	
Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C/NN2C(=O)c3cccc4c(N5CCCCC5)ccc(c34)C2=O)C1=O	100959044	YJKBNLBRJVONJJ-QNGOZBTKSA-N	602.445	4.169	10	40	KICB	
Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]23)cc1	101099874	IJOBVPOSOHDULB-BHDDXSALSA-N	516.347	4.453	10	40	KICB	
COc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2)C1=O	408536724	XOYRRPYNCMNDCN-OQKWZONESA-N	542.573	4.228	10	40	KICB	
Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cccn2-c2ccc(C(=O)O)cc2)C(=O)NC1=S	409222623	CNAQZRMHRZZMJG-LDADJPATSA-N	510.369	4.078	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F	409377852	LNALJAHATJTCPG-WQRHYEAKSA-N	582.928	4.470	10	40	KICB	
Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3cccs3)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1	9543177	JSPSXTPXCLYQBP-FYJGNVAPSA-N	519.583	4.326	10	40	KICB	
COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1OCc1ccc(Br)cc1	59139518	MMJCPDCMEPUBOG-UHFFFAOYSA-N	509.809	4.289	10	40	KICB	
CN1C(=O)C(=Cc2cc(Br)cc(Br)c2OCc2ccccc2)C(=O)N(C)C1=O	408812294	MOZACKYZWXMORS-UHFFFAOYSA-N	508.166	4.224	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1	408890964	JDOSKUFXYUDRMK-PXLXIMEGSA-N	568.991	4.259	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccccc4)c(Br)c3)C2=O)cc1	409064261	CWSNGXLLKKNWRK-XSFVSMFZSA-N	571.405	4.282	10	40	KICB	
COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(I)c1O	409341793	CEBUWHFIRIOVJX-RIYZIHGNSA-N	546.795	4.205	10	40	KICB	
COc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)ccc1O[C@@H](C)c1ccccc1	9291910	XXRKKCFCSOEUOG-YKTDLWLWSA-N	517.611	4.467	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	100746222	AUXCSMFMBXTIAG-ZGOFBEGVSA-N	572.643	4.341	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1ccc2c(c1)OCO2	408854082	XDQYTXRENVGRHO-QGMBQPNBSA-N	616.339	4.413	10	40	KICB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408877505	VMNSXNMWFQUZJV-UHFFFAOYSA-N	563.200	4.100	10	40	KICB	
CCc1ccccc1N1C(=O)/C(=C/c2cc(Br)c(I)o2)C(=O)NC1=S	408951850	KHQFANCOWRPPKI-YRNVUSSQSA-N	531.169	4.040	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1	409064017	BBJFOFZPIXLUJL-YBFXNURJSA-N	506.898	4.292	10	40	KICB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1	409225486	REQUKCYJBCAHJM-FYJGNVAPSA-N	505.914	4.038	10	40	KICB	
O=C1[C@@H]2[C@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1	13304632	LKDDVTHACFNPGB-ACRUOGEOSA-N	502.320	4.144	10	40	KICB	
COc1ccc(/C=C2/C(=O)N(c3ccccc3OC)C(=O)N=C2O)cc1CN1C(=O)c2ccccc2C1=O	33590504	RKBZTDKKFSWXKU-XSFVSMFZSA-N	511.490	4.007	10	40	KICB	
COc1cc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)cc(Cl)c1OCC(=O)O	59198210	STJQJZJUSRMRSF-AWNIVKPZSA-N	509.696	4.081	10	40	KICB	
CN1C(=O)[C@]2(c3cc(Cl)ccc31)N(C)C[C@@H](c1ccncc1)[C@@]21SC(=S)N(Cc2ccccc2)C1=O	102899076	QTMRLSJUUPQGIV-PUUVEUEGSA-N	535.094	4.435	10	40	KICB	
CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(N(C)C)c(Br)c3)c2=O)=N1	103827452	FXPRRWXBPHYILE-LMSRTUJASA-N	614.562	4.424	10	40	KICB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4F)c(Cl)c3)C2=O)c1	409376113	UPIVVZQMCABUIY-LDADJPATSA-N	507.905	4.471	10	40	KICB	
COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c(Br)cc1Oc1ccc([N+](=O)[O-])cn1	409404929	FJKWXZDWJMNRMH-CXUHLZMHSA-N	511.288	4.015	10	40	KICB	
COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1	8741976	RBJPROBVHLBCFB-PXLXIMEGSA-N	519.604	4.259	10	40	KICB	
C[C@H]1CN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)C[C@@H](C)O1	12344014	BRZMSSACCZRKAM-CXHUQDDXSA-N	520.680	4.142	10	40	KICB	
COc1ccc(N2CCN(C(=O)CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)CC2)cc1	20061273	MFHUDYNYGQCTKW-UHFFFAOYSA-N	514.047	4.201	10	40	KICB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(SCC(=O)Nc4ccccc4)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1	408992045	QGSGKMVAZUJYJP-DEDYPNTBSA-N	532.603	4.465	10	40	KICB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1	409105466	HUWYBMFNFHYUFG-MBXGISOLSA-N	535.113	4.357	10	40	KICB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(I)c(OC(C)C)c(OC)c2)C1=O	409249764	VNEPRJYRFNJNDK-XNTDXEJSSA-N	550.349	4.152	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(I)c1O[C@H](C)CC	409374688	WSCFCBCLGSFVOK-BPKVKKHESA-N	538.338	4.122	10	40	KICB	
CCc1ccccc1N(CC(=O)N1CCN(c2ccc(OC)cc2)CC1)S(=O)(=O)c1ccc(C)cc1	8384430	NDBOBYLLXYLPHJ-UHFFFAOYSA-N	507.656	4.110	10	40	KICB	
CC[C@@H](C)N1C(=O)/C(=C/c2c(N3CCN(c4ccccc4OC)CC3)nc3ccc(C)cn3c2=O)SC1=S	100860919	JGPXLHXYGTUGOU-CCQQXMDGSA-N	549.722	4.338	10	40	KICB	
O=C1N=C(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)S/C1=C\c1ccc(OS(=O)(=O)c2ccccc2)cc1	101670103	UTTGQFCQKKBAEJ-MOHJPFBDSA-N	550.618	4.155	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccccc4)c(OC)c3)C2=O)cc1	408814781	WFMRDHGCUFEVCG-UDWIEESQSA-N	612.376	4.332	10	40	KICB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5ccc(N(C)C)cc5)c4C)c(=O)n32)cc1OCC	408932289	BWMWHQRUFAAWKV-BLIVLRGHSA-N	600.741	4.289	10	40	KICB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)o1	408966359	MCJFEWHMQQLOMM-XNTDXEJSSA-N	501.879	4.487	10	40	KICB	
COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1	409008820	KNZIGEJZXQVPOA-CVKSISIWSA-N	557.603	4.033	10	40	KICB	
CCOc1cc(OCC)c(/C=C2/C(=O)N(CCOC)C(=O)N(c3ccccc3)C2=O)cc1Br	409015007	QWMYKINIRRIQKY-AQTBWJFISA-N	517.376	4.272	10	40	KICB	
COC(=O)COc1c(I)cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1OC	409043513	MTJYTTXKVDPEHQ-ONNFQVAWSA-N	596.246	4.353	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OS(=O)(=O)c3ccccc3)C2=O)cc1	409072893	FEVSJOLNXBQERL-RCCKNPSSSA-N	526.954	4.173	10	40	KICB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(C)cc4)c3)C2=O)cc1OC	409222136	ACNLUJIWGULPAE-JLPGSUDCSA-N	543.576	4.476	10	40	KICB	
COc1ccc(NC(=O)COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1	409376396	XVYSECSCVLWTSO-FYJGNVAPSA-N	519.941	4.341	10	40	KICB	
CCN(CC)C(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1CN(Cc1ccccc1O)CC2=O	514287566	MGWYIDXJPRZYJS-UJRSORSFSA-N	505.659	4.066	10	40	KICB	
CCc1cccc2c(/C=C3\C(=O)N(CC)c4ccc(S(=O)(=O)N5CCOCC5)cc43)cn(CC(=O)N3CCCCC3)c12	8778075	GRIUTMATSVHEMO-USHMODERSA-N	590.746	4.144	10	40	KICB	
CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc1OCC	59136298	CCWDHQHLIQAKLE-NTEUORMPSA-N	506.939	4.491	10	40	KICB	
O=C1/C(=C/c2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC(=S)N1CCc1ccccc1	101070778	YKLWQRNUKBLHSL-CJSSZYOBSA-N	528.659	4.284	10	40	KICB	
COc1ccc(C(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2OC)cc1	408528638	BQMHAOBXVNCBMR-DEDYPNTBSA-N	506.898	4.243	10	40	KICB	
CCN(CC)c1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(C(C)C)cc2)C(C(=O)OC)=C(C)N=3)cc1	16678489	HFRWSLLNRVDNLK-OGRZUZBBSA-N	503.668	4.378	10	40	KICB	
CCOc1ccc(N2C(=O)/C(=C\c3cc(I)c(OCC(=O)O)c(I)c3)C(O)=NC2=S)cc1	97960945	KZLVDMCFAMJUPS-AUWJEWJLSA-N	678.242	4.430	10	40	KICB	
COc1ccc(OC)c(-n2c(C)cc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)c2C)c1	103593261	IVLRYVYOTRAQCA-CCDSKFFISA-N	534.642	4.133	10	40	KICB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccc(N2CCOCC2)cc1	223296430	NGOHGVRDTGWHLB-SAAIGDAKSA-N	517.699	4.477	10	40	KICB	
O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1cc(C(F)(F)F)ccc1Cl	408690204	UFXYKFAZLFHFNU-UEXGIBASSA-N	534.918	4.403	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br	409079603	LDIZCOIABMMZOP-YXDQGSNCSA-N	600.535	4.034	10	40	KICB	
CCOC(=O)COc1ccc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1	409140548	IXIGAWABJAEHQU-JMIUGGIZSA-N	500.642	4.077	10	40	KICB	
Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(NC(=O)c3ccccc3)c2C)C1=O	409202768	UPWPHXXNPUTPRR-DEDYPNTBSA-N	521.371	4.226	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4Cl)c(Cl)c3)C2=O)cc1	409259611	BITBLZLAKFJRPV-PDGQHHTCSA-N	568.369	4.464	10	40	KICB	
COc1cc(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)Nc1ccc(F)cc1	409408688	RMFRCBJEYDMFAA-NDENLUEZSA-N	540.345	4.076	10	40	KICB	
CC[C@@H](C)N1C(=O)/C(=C/c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	2248027	COJMBKDYYFZUAQ-OSVNEOKWSA-N	537.686	4.468	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(C(=O)O)cc4)cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	8450446	DZZGCYCFYKRHAI-PQRKSKNISA-N	597.693	4.142	10	40	KICB	
O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(Cl)cc(I)c1O	100455646	BZZQXEUJXNAGBS-XGICHPGQSA-N	563.598	4.244	10	40	KICB	
CN1C(=O)C(=Cc2cc(Br)c(OCc3ccccc3)c(I)c2)C(=O)N(C)C1=S	103856302	HCEPLWNISDODCC-UHFFFAOYSA-N	571.234	4.231	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(C)=O)c4)c3C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409040923	VESAIRYDRSAFON-VEOKEAFVSA-N	671.772	4.359	10	40	KICB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cn1	409409824	XMVZEFSVNRDOGB-SXGWCWSVSA-N	511.288	4.015	10	40	KICB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1	66112155	KQCDMSRADDCNMJ-YMWOEAMWSA-N	539.657	4.010	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)c(=O)n2[C@H]1c1cccc(OC)c1	408986836	POCOFCMKKQKXRA-RGFRMHDHSA-N	585.682	4.001	10	40	KICB	
CN1C(=O)C(=Cc2ccc(OCc3ccc(Br)cc3Br)cc2)C(=O)N(C)C1=O	409186401	BPMGQPPJENKWPA-UHFFFAOYSA-N	508.166	4.224	10	40	KICB	
COc1cc(/C=C2/C(=O)N(c3cccc(C(=O)O)c3)N=C2C)ccc1OCC(=O)N[C@H](C)c1ccccc1	13914196	BVPYLVJKFJNJCR-SDCZFJSOSA-N	513.550	4.456	10	40	KICB	
COc1ccc2cc([C@H]3CC(=O)Oc4c(O)c(O)c5c(=O)cc(-c6ccccc6)oc5c43)c(=O)n(C)c2c1	96114028	SXEXCPUTCYLNKF-QGZVFWFLSA-N	511.486	4.173	10	40	KICB	biogenic
COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccc(Cl)cc2)OC32C(=O)c3ccccc3C2=O)cc1OC	101481133	VOPNBHWRSUPTKS-DNVJHFABSA-N	517.921	4.052	10	40	KICB	
COc1ccc(-c2n[nH]cc2[C@@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)cc1	108451462	SFKXQDXMJLFZJH-HNNXBMFYSA-N	528.473	4.122	10	40	KICB	biogenic
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)cc2Br)cc1	408887803	QZTKAYRZHBVGLP-CPNJWEJPSA-N	541.379	4.192	10	40	KICB	
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1	408908822	SIKODMKIWQXNCR-LFVJCYFKSA-N	513.550	4.110	10	40	KICB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409006280	INKGRZSVTDUUDT-UHFFFAOYSA-N	545.661	4.095	10	40	KICB	
COc1ccc(CN2C(=O)[C@H]3[C@@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	4182223	ZXKQSSRDDTXAQP-XPWALMASSA-N	546.373	4.148	10	40	KICB	
CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)c(C)cc2[nH]c1=O)N1CCN(c2ccc(OC)cc2)CC1	20079942	BWERPFZFQJKAKP-AREMUKBSSA-N	515.662	4.197	10	40	KICB	
COc1ccc(N2CCN([C@H](c3ccc(Br)cc3)c3sc4nc(C)nn4c3O)CC2)cc1	23157066	SSZPFZIZZWCBDY-HXUWFJFHSA-N	514.449	4.488	10	40	KICB	
CC(=O)Nc1ccc(N(C(=O)CSCC(=O)Nc2cc(C)on2)[C@H](C(=O)NC2CCCCC2)c2ccc(O)c(O)c2)cc1	100286129	OFHUENCFHZIFEN-LJAQVGFWSA-N	609.705	4.248	10	40	KICB	
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)c(I)o1	408858987	RWFMPGGLJUBNIV-BJMVGYQFSA-N	565.943	4.076	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCc1cccc(F)c1	408955998	VOYMILOOQGCFSC-QGMBQPNBSA-N	524.888	4.462	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1	409078090	HMNOSQAGSAXECM-XXMKCSCWSA-N	584.536	4.416	10	40	KICB	
COc1cc(Br)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)Nc1ccc(C)cc1	409407138	LCRCTPLVKYCTPX-FYJGNVAPSA-N	536.382	4.245	10	40	KICB	
CC[C@@H](C)N1C(=O)/C(=C/c2c(N3CCN(c4ccccc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	1450276	FEUPFGARLUACBZ-OSEFQUDUSA-N	519.696	4.329	10	40	KICB	
CCOC(=O)C1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)CC1	97947687	VHHRHNCWNYCNKT-QNGOZBTKSA-N	552.653	4.015	10	40	KICB	
CN(CCc1cc2c(cc1/C=C1\C(=O)N(Cc3ccc(F)cc3)C(=O)N=C1O)OCO2)C(=O)c1ccccc1	104170999	NCPHLDURGGOWDM-QRVIBDJDSA-N	529.524	4.371	10	40	KICB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)cc1NS(C)(=O)=O	225474296	JQOHSRKVBPLEMH-UIOOFZCWSA-N	548.694	4.441	10	40	KICB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c1C	409237071	VTFXOYKORXAGOU-GZTJUZNOSA-N	510.959	4.496	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409371046	ANQZXTOUWBRNQU-VXLYETTFSA-N	633.370	4.102	10	40	KICB	
CCOC(=O)N1CCN(C(=O)CCCCCN2C(=O)/C(=C\C=C/c3ccccc3)SC2=S)CC1	11612296	DAKWPWKZMCNSOD-XWZIBCNGSA-N	501.674	4.305	10	40	KICB	
O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1	13667682	IIDLTISYIFKHQJ-GDLZYMKVSA-N	501.652	4.270	10	40	KICB	
Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c(Br)c1	25500723	UUGBDJJZXFXZHN-FKBYEOEOSA-N	516.347	4.453	10	40	KICB	biogenic
COc1cc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)cc(OC)c1OC	96115164	BUOFDUVLHVPTGD-AWEZNQCLSA-N	506.463	4.044	10	40	KICB	biogenic
CCOC(=O)c1ccc(N2N=C(C)/C(=C\c3ccc(OCC(=O)Nc4ccccc4C(=O)OC)c(OC)c3)C2=O)cc1	101574089	XZDLOVGYLNWESJ-LFVJCYFKSA-N	571.586	4.482	10	40	KICB	
CNCc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)[C@@](C)(OC=C[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@@H](C)C=CC=C(C)C(=O)N2)O4	263606028	QKOQHNFJQIUIDQ-PVGMRMIVSA-N	740.847	4.474	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OC	408802773	HGLDMULLJOKANC-RIYZIHGNSA-N	524.165	4.285	10	40	KICB	
COC(=O)COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1Br	408985354	WOLJJURXHHMQFF-ACAGNQJTSA-N	542.169	4.283	10	40	KICB	
COc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2Br)cc1	409377131	DXZFSYSAEVSMIY-JAIQZWGSSA-N	595.362	4.050	10	40	KICB	
O=C(NC1CCCC1)[C@H](c1ccc(O)c(O)c1)N(C(=O)Cn1nnc2ccccc21)c1cnc2ccccc2c1	902565	SDXHNQYAENTLER-LJAQVGFWSA-N	536.592	4.224	10	40	KICB	
O=C(NCc1ccc(N2CCCC2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1	20453404	JCPVWBWFFRNNEK-UHFFFAOYSA-N	510.487	4.452	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCC(=O)OC	408763009	DHAAPQTVDXULMR-OVCLIPMQSA-N	551.777	4.028	10	40	KICB	
COc1cc(I)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c1O	408842727	AVZUJIJGOJVQEG-UXBLZVDNSA-N	549.173	4.144	10	40	KICB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	408844269	BSRUAIPHZPGYOO-KEBDBYFISA-N	568.405	4.084	10	40	KICB	
CC(C)Oc1c(I)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I	409398728	CHPRSUVYYNTFAP-ZSOIEALJSA-N	574.156	4.144	10	40	KICB	
COc1cc(C(=O)NN2C(=O)c3ccccc3N[C@@H]2c2cc(Br)ccc2O)cc(OC)c1OC	668868	FLHJHYBFOXZISQ-QFIPXVFZSA-N	528.359	4.092	10	40	KICB	
COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1	8383747	YILLWQORDZVFPU-LFVJCYFKSA-N	541.025	4.327	10	40	KICB	
O=C1[C@@H]2[C@@H](c3cccc(Br)c3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	101130299	AOSXLTXVKBUZQN-PWRODBHTSA-N	547.317	4.052	10	40	KICB	
CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)c(O)c(Br)c2O)N3)C1	102080006	FYRXANGHODKITE-HNNXBMFYSA-N	547.225	4.053	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1ccc(SC)cc1	105499056	DWMCIUUMRAXDEB-LWUPDDLQSA-N	537.707	4.072	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Br)c1O	408853227	QBIXVHYBBQAEFA-WEVVVXLNSA-N	502.173	4.301	10	40	KICB	
CCN1C(=O)/C(=C\c2cc(I)c(O)c(OC)c2)C(=O)N(c2ccc(Cl)cc2)C1=S	409009549	GDUVQGGWIWRUPF-RIYZIHGNSA-N	542.782	4.222	10	40	KICB	
COc1cc(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)Nc1ccccc1C	409404488	DCCXTLXCBAHSAV-MOSHPQCFSA-N	536.382	4.245	10	40	KICB	
COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)c(C(=O)O)c4)c3C)C(=O)NC2=S)cc1	2783351	HSWIHKBEJMJBEB-RGVLZGJSSA-N	509.971	4.286	10	40	KICB	
COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccc(N4CCCC4)cc3)cc2)cc1OC	13649084	LYKUZGLAEKLNJU-UHFFFAOYSA-N	509.628	4.059	10	40	KICB	
COc1cccc(CN(Cc2ccccc2)C(=O)CNC(=O)c2ccc(-c3csc(N)n3)cc2)c1O	33815721	OVDXUQLJRPYRTB-UHFFFAOYSA-N	502.596	4.065	10	40	KICB	
CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@]2(SC(=S)N(Cc3ccco3)C2=O)[C@]12C(=O)Nc1ccc(F)cc12	98007443	DEGMUQLPHYVTCX-NGXZDTIWSA-N	538.582	4.003	10	40	KICB	
CC[C@H](C)N1C(=O)/C(=C/c2c(N3CCN(c4ccccc4OC)CC3)nc3ccc(C)cn3c2=O)SC1=S	100860922	JGPXLHXYGTUGOU-QSSXUJFUSA-N	549.722	4.338	10	40	KICB	
CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1	100888939	KYCSWEHJSXHRIS-UHFFFAOYSA-N	569.455	4.221	10	40	KICB	
COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c1OC	408761077	HJNVCVAHUQGPBB-RIYZIHGNSA-N	524.165	4.204	10	40	KICB	
Cc1ccc(S(=O)(=O)Oc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)c2)cc1	408934622	FIRLJDNKXPZTIE-BKUYFWCQSA-N	510.955	4.391	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408942391	QNTRXHIJXPBCCC-YBFXNURJSA-N	616.402	4.108	10	40	KICB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(Sc4nnc(C)s4)c([N+](=O)[O-])c3)C(=O)NC2=S)c1	408991440	OGEVWHPMNPGONV-CXUHLZMHSA-N	511.610	4.354	10	40	KICB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1	409074194	YOCVVFCRRKOPBT-XDHOZWIPSA-N	517.346	4.428	10	40	KICB	
O=C1NC(=S)NC(=O)C1=Cc1cc(Br)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409090749	OHJOCYBRSXNPIL-UHFFFAOYSA-N	516.251	4.083	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc(Br)c1OC(C)C	409169684	YEJJGSFVMUVYJT-XNTDXEJSSA-N	519.417	4.475	10	40	KICB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(F)cc4)c3)C2=O)cc1OC	409365629	VDSFEVSAASAGOO-HAHDFKILSA-N	547.539	4.307	10	40	KICB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N(C)C)cc3OCc3ccccc3Cl)C2=O)o1	409400292	NTDYLWOSUHOQAH-MTJSOVHGSA-N	509.946	4.458	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	6167978	VKLUTNPFXSIVBH-QTTRZTASSA-N	588.642	4.041	10	40	KICB	
CCN1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)CC1	8827501	JFXLXGFAHSWJGR-ODENVGOISA-N	519.696	4.107	10	40	KICB	
Cc1cc(Cn2cnc3c2C[C@H](C(=O)O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)ccc1N(C)C	26962204	YSTVFDAKLDMYCR-MUUNZHRXSA-N	508.622	4.476	10	40	KICB	biogenic,in-vitro
COC(=O)C[C@H](c1coc2ccccc2c1=O)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12	96221851	WYFIZZSODLYELW-MRXNPFEDSA-N	500.459	4.378	10	40	KICB	biogenic
Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCS(=O)(=O)O)C2=O)cc2c1O[C@H](C)C2	97947625	XVMCRFJXTZSRQV-RDPIHGLISA-N	541.676	4.260	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	100320828	KIBXRUPUZVRDPS-XDHOZWIPSA-N	618.405	4.042	10	40	KICB	
COC(=O)c1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1C	103858962	PEGLHJOUQMYZLZ-DEDYPNTBSA-N	522.355	4.310	10	40	KICB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(OCC)c4)C3=O)c2C)cc1	408782767	YZGGXFNRLZJXJY-BUVRLJJBSA-N	501.539	4.336	10	40	KICB	
O=C1NC(=O)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	408935878	FAGHPEODUVRLCJ-YBFXNURJSA-N	566.320	4.301	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C(=O)O)cc4)c(Cl)c3)C2=O)cc1	409070512	BYWSGTQQHNNUQK-UDWIEESQSA-N	534.908	4.070	10	40	KICB	
O=C(O)CCN1C(=O)/C(=C/c2cccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)c2)SC1=S	409267866	PJQKGCIAXUHQQB-YVLHZVERSA-N	510.515	4.399	10	40	KICB	
O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409410402	WMWJNNIXYUXTAE-CPNJWEJPSA-N	508.284	4.038	10	40	KICB	
CCC(C)(C)n1nnnc1[C@H](c1cc2c(C)cc(C)cc2[nH]c1=O)N1CCN(c2ccc(OC)cc2)CC1	20079784	UJHOWCJBDJLLNR-SANMLTNESA-N	515.662	4.197	10	40	KICB	
COc1ccc(N2CCN(C(=O)/C=C/c3cc(Br)cc(Br)c3OC)CC2)c([N+](=O)[O-])c1	109632406	XTNFKBWMYFRFMN-ZZXKWVIFSA-N	555.223	4.499	10	40	KICB	
CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/N2N=C(c3ccc4c(c3)CCCC4)C[C@H]2C(=O)O)SC1=S	256055427	GRLOAGFSCSIPFH-ZQFBGBDESA-N	563.701	4.305	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(I)c1OCc1ccccc1Cl	408908386	CCHAPYNKJLHPQE-RIYZIHGNSA-N	556.809	4.179	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408955149	SVKJKQQZZPMNDD-QGMBQPNBSA-N	551.895	4.231	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(OC(C)=O)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409031414	AODLDEDHJMIUNB-VEOKEAFVSA-N	687.771	4.082	10	40	KICB	
COC(=O)[C@@H](NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21)c1ccccc1	1565524936	YNDVIWIPQPIHJV-LMSSTIIKSA-N	522.605	4.209	10	40	KICB	
COc1cccc(OCCCOc2ccc(/C=C3/C(=N)N4C(SC)=NSC4=NC3=O)cc2OC)c1	20205514	RVJKGCFMXQQKTR-JLFKZYKSSA-N	512.613	4.491	10	40	KICB	
CCOc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OC(=O)c1cccc(OC)c1	101154536	PARVTHAMOSQODO-QHKCELSSSA-N	527.562	4.376	10	40	KICB	
COc1ccc(N2CCN(C(=S)NC(=O)c3cc4ccccc4c(Br)c3OC)CC2)c([N+](=O)[O-])c1	105303633	BIRRUJDMTXPMRA-UHFFFAOYSA-N	559.442	4.365	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	105499731	HSMXWDASWHMQOZ-ASZNLBCTSA-N	585.686	4.180	10	40	KICB	
Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\c2ccccc2I)C1=O	408549921	BPLJAZWCIUAJGH-UKTHLTGXSA-N	511.113	4.029	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)ccc1OCc1ccccc1F	408936976	LSHULCHNEZIXJR-DEDYPNTBSA-N	504.470	4.168	10	40	KICB	
COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c(=O)n32)cc1	409093201	YAQYJALZQMXRSY-ZIRCPPMYSA-N	595.681	4.391	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(=O)N1CCOCC1	409258673	YPPZICJXDXAZKK-PAJXCOJRSA-N	512.653	4.285	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1C	409259865	GUQMJOJGTFKYTK-NDENLUEZSA-N	641.418	4.388	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl	409264500	KNQLAGINVNPBIF-XSFVSMFZSA-N	549.967	4.431	10	40	KICB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	409400973	WSEHDLWGGLKGEQ-UNOMPAQXSA-N	541.301	4.240	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C4CCCCC4)C3=O)c(NCCCn3ccnc3)nc12	5402094	ZPZYDFWCUVVVFO-HKWRFOASSA-N	508.673	4.236	10	40	KICB	
COc1ccc(CN2C(=O)/C(=C/c3c(N4CCN(c5ccc(OC)cc5)CC4)nc4ccccn4c3=O)SC2=S)cc1	97946682	ZZBPMESRNLTUDS-XHPQRKPJSA-N	599.738	4.440	10	40	KICB	
Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4I)C(=O)[C@@H]23)cc1	100497444	PGYGLHBMMKFPSD-FSSWDIPSSA-N	563.347	4.295	10	40	KICB	
COc1ccc(S(=O)(=O)N2C(=O)/C(=C3\SC(=S)N(Cc4ccccc4)C3=O)c3ccccc32)cc1	100760834	VNUHUXDGFYUIDD-DQRAZIAOSA-N	522.629	4.202	10	40	KICB	
COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1OC	101005669	OCFXYBRJQJFJHC-JWGURIENSA-N	552.678	4.122	10	40	KICB	
CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1I	408856070	PEVOWFKYPDENGV-LZYBPNLTSA-N	627.229	4.279	10	40	KICB	
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(N4CCOCC4)c(Br)c3)c2C)N(C)C1=S	409143624	MVMRLEBRQSXYJL-BKUYFWCQSA-N	503.466	4.113	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409250271	QGUDYFWDLZTCSQ-SXGWCWSVSA-N	558.394	4.287	10	40	KICB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)C2=O)cc1OC	409363625	LMOCSMJGMKLJJX-HAHDFKILSA-N	547.539	4.307	10	40	KICB	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cn(CCOc4cccc(C)c4)c4ccccc34)C(=N)N21	20206508	RNUXJZNVZWPSCB-NKFJNAIASA-N	521.624	4.040	10	40	KICB	
CN1C(=O)[C@]2(c3cc(Cl)ccc31)N(C)C[C@@H](c1cccnc1)[C@@]21SC(=S)N(Cc2ccccc2)C1=O	102899040	KYNOTMXSBHKBMJ-PUUVEUEGSA-N	535.094	4.435	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	408889716	GBPHJDZTYHJOTM-HYARGMPZSA-N	520.563	4.055	10	40	KICB	
O=C1NC(=O)C(=Cc2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2)C(=O)N1	409045436	GSUQYZLZIOAVAJ-UHFFFAOYSA-N	514.557	4.193	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1	409329184	DPVHDVQMRGULEG-JAIQZWGSSA-N	500.598	4.005	10	40	KICB	
COc1ccc(CCN2C[C@H](O)C(C)(C)COCCC[C@H]3CN(Cc4ccc(O)c(O)c4)CC[C@H]3CC2=O)cc1	1534613304	RSBRAZVGIJLTDE-JCGRVDTESA-N	554.728	4.203	10	40	KICB	
COc1ccc(N2CCN([C@@H](c3cc4c(C)ccc(C)c4[nH]c3=O)c3nnnn3CCc3ccccc3)CC2)cc1	1381743	LQMPCDVHUGBVAE-PMERELPUSA-N	549.679	4.294	10	40	KICB	
Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCC(C)C)c2ccc(N(C)C)cc2)c1C	6442825	KHKQKWYSRMGKMD-XMMPIXPASA-N	536.702	4.057	10	40	KICB	
CCc1nn2c(=O)cc(COc3ccc(/C=C4/C(=N)N5N=C(C(CC)CC)SC5=NC4=O)cc3)nc2s1	97964985	CRSRAANRQPBYLX-BTGMWCQSSA-N	535.655	4.348	10	40	KICB	
CC[C@@H](C)N1C(=O)/C(=C\c2c(N3CCN(c4ccc(F)cc4)CC3)nc3c(C)cccn3c2=O)SC1=S	100860301	SLLRVAWQRYIOLL-IPEVAPCJSA-N	537.686	4.468	10	40	KICB	
COc1ccc(N2N=C(C)/C(=C(\C)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)nn4)cc3)C2=O)cc1	113474685	QZCKQBWFXJOFGP-HMAPJEAMSA-N	512.979	4.048	10	40	KICB	
CCOc1cc(COc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2OC)ccc1OCc1ccccc1	408537203	CSVOVSCHYHMABH-UHFFFAOYSA-N	502.523	4.001	10	40	KICB	
CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(s/c(=C/c3ccc(N4CCCC4)cc3)c2=O)=N1	409062582	XBUMXSLBPBBCHV-NTWBUQQASA-N	531.678	4.187	10	40	KICB	
NC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Br	409226893	WERZHRONPUZUTO-VXLYETTFSA-N	629.261	4.321	10	40	KICB	
COc1ccc(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(=O)(=O)c2ccccc2)cc1Cl	13646308	FHNGWBVBFZCQHZ-UHFFFAOYSA-N	514.047	4.461	10	40	KICB	
COc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1/C=C1/C(=N)N2N=C(C(C)C)SC2=NC1=O	15276350	XJZYBSZTLZGVIQ-IHVOSJJMSA-N	509.544	4.336	10	40	KICB	
COc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1I	103851745	FOLHPKVXMVKZMU-UXBLZVDNSA-N	561.170	4.033	10	40	KICB	
CN1C(=O)C(=Cc2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(Br)c2)C(=O)N(C)C1=S	103856265	OAMJYZDGIMFARN-UHFFFAOYSA-N	523.792	4.009	10	40	KICB	
COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCCC3)cc2)c2ccc(F)cc2)cc1OC	113623706	IOAMTJIGXHIZNT-UHFFFAOYSA-N	541.645	4.345	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4C)c3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409044051	NPYQPEXDIDKCKS-GORIGYSASA-N	688.759	4.373	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409088975	LHSHNHSXGTUICU-LZYBPNLTSA-N	675.304	4.483	10	40	KICB	
COc1ccc2occ([C@@H]3CC(=O)Oc4cc(O)c5c(=O)cc(-c6ccc(O)c(O)c6)oc5c43)c(=O)c2c1	96116053	YPRRJTZRQUHFRY-AWEZNQCLSA-N	514.442	4.133	10	40	KICB	biogenic
CC[C@H](C)c1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1	97964384	HKKNEDYUCFEMDC-JKSGLJIBSA-N	526.640	4.279	10	40	KICB	
COc1ccc(C2=C/C(=C\c3cc(I)c(OC(C)=O)cc3OC(C)=O)C(=O)O2)cc1	408741867	LRZMDGLWMFFCSI-LZYBPNLTSA-N	520.275	4.132	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1	409044214	UJOBMTPDIBJXOH-FYJGNVAPSA-N	519.941	4.423	10	40	KICB	
COc1ccccc1NC(=O)COc1cccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)c1	409375466	LFSJQTRRWKDFDW-DEDYPNTBSA-N	519.941	4.341	10	40	KICB	
N=C1/C(=C/c2cn(Cc3ccc4c(c3)OCO4)c3ccccc23)C(=O)N=C2SC(c3cccnc3)=NN12	9281296	LRUSRRDLQFMTJZ-AWCVCBGZSA-N	506.547	4.481	10	40	KICB	
COc1c(I)cc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc1I	104660316	QEGJCIOCZNLGDD-UHFFFAOYSA-N	554.118	4.048	10	40	KICB	
CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1	408787301	WVBXEUNCGYHJAJ-AUAXKSBWSA-N	525.001	4.281	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OC(C)C	408897971	JZTOXXINGYELSO-RQZCQDPDSA-N	534.350	4.370	10	40	KICB	
COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1	409014947	QXOOQPPZBKCLPG-OEAKJJBVSA-N	549.967	4.074	10	40	KICB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCOCC4)cc3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC	409059997	UDBDYZXTBJTTAA-ZHGFHMGHSA-N	616.139	4.434	10	40	KICB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)cc3C)c(=O)n2[C@@H]1c1ccccc1OC	409106519	MMLGADPHWMAVIY-RBRLEXCSSA-N	544.721	4.021	10	40	KICB	
COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1OCc1ccc(Cl)cc1	59139582	AUPZOMVCHIWKET-UHFFFAOYSA-N	509.809	4.289	10	40	KICB	
CN1CCN(c2cc3c(cc2N/C=C2\C(=O)NC(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4Br)C2=O)n(C)c(=O)n3C)CC1	408527998	GZUKNQHDKITUDZ-LYBHJNIJSA-N	702.654	4.438	10	40	KICB	
COc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc1[N+](=O)[O-]	408740004	CKIKRHQRZYQRFX-WUXMJOGZSA-N	602.204	4.110	10	40	KICB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)cc2Cl)cc1	409069785	WQBOZZNVLISRHX-XDHOZWIPSA-N	514.918	4.222	10	40	KICB	
COc1ccc(N2C(=O)/C(=C/c3cn(Cc4cccc([N+](=O)[O-])c4)c4ccccc34)C(=O)NC2=S)c(OC)c1	409107117	UZXXDEULNZHRQC-LPYMAVHISA-N	542.573	4.446	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)ccc3OCC(=O)Nc3ccccc3F)C2=O)cc1	409378298	OQEBILVIISRKGO-UYRXBGFRSA-N	596.365	4.059	10	40	KICB	
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	3366501	KMTGCBSLNBLQCV-NDDJGDGRSA-N	534.009	4.190	10	40	KICB	
Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)cc1C	6280319	ZXSFXQIOEIFGLG-VWLOTQADSA-N	548.713	4.344	10	40	KICB	
O=C1[C@H]2[C@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1cccc(F)c1	18067957	DPRQIIZNCASZHQ-HKBOAZHASA-N	520.310	4.283	10	40	KICB	
COc1ccc(N2CCN(C(=O)CN(c3cccc(Br)c3)S(=O)(=O)c3ccccc3)CC2)cc1	59881585	YNEKGPDCDCPVLP-UHFFFAOYSA-N	544.471	4.002	10	40	KICB	
Cc1ccccc1[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccccc3Br)C(=O)[C@@H]12	100676783	FAFWLOVVHCVDRI-BHIFYINESA-N	516.347	4.453	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1ccc(F)cc1	100746583	MTDKLOZOPGSNNU-KMBIYUNPSA-N	533.600	4.484	10	40	KICB	
CCOCCCN1C(=O)/C(=C\c2c(N3CCN(c4ccc(F)cc4)CC3)nc3c(C)cccn3c2=O)SC1=S	100860299	NCLQJURNPVOWGN-PTGBLXJZSA-N	567.712	4.096	10	40	KICB	
COc1ccc(N2CCN(C(=S)NC(=O)c3cccc4c(Br)cccc34)CC2)c([N+](=O)[O-])c1	105303595	XTZVAALUEBKZRL-UHFFFAOYSA-N	529.416	4.356	10	40	KICB	
S=C(NCc1ccc(N2CCCC2)cc1)Nc1nc(Sc2ncccn2)cc(N2CCCCC2)n1	225952074	SDEKAASUIDSPSY-UHFFFAOYSA-N	506.705	4.495	10	40	KICB	
CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O	409041973	LPIUPNIZGFDPDU-RIYZIHGNSA-N	512.129	4.416	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C	409265844	WEUSDIRHRYJQSV-JAIQZWGSSA-N	549.967	4.355	10	40	KICB	
CCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)cc1	6089822	LUFVWCPXZMZKHY-VWLOTQADSA-N	564.712	4.126	10	40	KICB	
CCCCN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4OC)CC3)nc3ccc(C)cn3c2=O)SC1=S	100860917	SROZLBFUWIBGSO-QJOMJCCJSA-N	549.722	4.339	10	40	KICB	
COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1OCc1ccc(I)cc1	103856567	GXHBANNRJJDRRP-UHFFFAOYSA-N	556.809	4.131	10	40	KICB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1C	103858946	PUGXYGIITZHLQG-YBFXNURJSA-N	539.342	4.440	10	40	KICB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCc1cccc2ccccc12	408735731	VZCUNHINCPQXGO-UHFFFAOYSA-N	511.397	4.494	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	408898049	JUZBKNGSFGGKKH-PXLXIMEGSA-N	534.590	4.445	10	40	KICB	
COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C(=O)NC2=S)c(OC)c1	409102567	BDJDAZMIHDEQCH-YBEGLDIGSA-N	558.366	4.466	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)NC2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409235792	BQBNLKKTOOVEOP-SXGWCWSVSA-N	558.394	4.335	10	40	KICB	
O=C(COc1ccc(Br)cc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O)Nc1ccccc1	409250702	MNKLHYMMOLVKPU-ZHZULCJRSA-N	536.407	4.298	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1	409269567	KGQAIMMZZDCJTC-HAHDFKILSA-N	513.550	4.386	10	40	KICB	
COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OC(=O)c4ccc(OC)cc4)cc3)SC2=S)cc1	409343482	HGBNPSACVUKISG-PXLXIMEGSA-N	520.588	4.469	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(I)c1OCc1cccc(C(=O)O)c1	409374193	KQVYBAGLIHDNFW-VXLYETTFSA-N	616.364	4.222	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1F	409385122	HPBUMDODSLLGHT-WOJGMQOQSA-N	537.931	4.480	10	40	KICB	
CCOc1cc(/C=C2\C(=O)N(c3cc(C)cc(C)c3)C(=O)N=C2O)cc(I)c1OCC(=O)O	97960533	ANPYYDASWLSBHG-PXNMLYILSA-N	564.332	4.277	10	40	KICB	
COc1c(Br)cc(Br)cc1/C=C1\C(=O)NC(=O)N(CCc2ccc(F)cc2)C1=O	97966968	NSUPYGWEVUTKAS-OQLLNIDSSA-N	526.156	4.064	10	40	KICB	
COc1ccc(N2CCN(C(=O)CCc3nnc4n(Cc5ccccc5Cl)c(=O)c5ccccc5n34)CC2)cc1	101038087	IBGSNTSNFFHRIT-UHFFFAOYSA-N	557.054	4.036	10	40	KICB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(CC)c4ccc(S(=O)(=O)N5CCOCC5)cc43)c2C)cc1	101377528	IEUDZXWGAKGBFY-OVVQPSECSA-N	563.676	4.199	10	40	KICB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)C(=O)NC2=S)cc1C	408774528	MEORUCRTFYSMGB-YZSQISJMSA-N	514.651	4.379	10	40	KICB	
COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1	408782734	IYJLDFDGHMDIHU-RRAHZORUSA-N	584.669	4.357	10	40	KICB	
CC[C@@H](CO)Nc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccccc2Cl)C1=O	1480750	FVGVMWPIAMWAGZ-YLRSXTQRSA-N	515.060	4.241	10	40	KICB	
COCCCN1C(=O)/C(=C/c2c(N3CCN(c4cccc(Cl)c4)CC3)nc3c(C)cccn3c2=O)SC1=S	97946210	OTOBROQKEKKDNI-XLNRJJMWSA-N	570.140	4.221	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OC	408803805	AQERMFONRPFVJB-VZUCSPMQSA-N	547.132	4.282	10	40	KICB	
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1	408956493	XLSGRLFBGQHIPA-VXLYETTFSA-N	566.320	4.331	10	40	KICB	
COc1ccc(N2CCN([C@@H](c3cc4ccc(C)cc4[nH]c3=O)c3nnnn3C3CCCCC3)CC2)cc1	19940571	AFVWWLPDLGFJDG-MHZLTWQESA-N	513.646	4.248	10	40	KICB	
COc1ccc(N2CCN(c3nccnc3SCC(=O)Nc3cc(Cl)ccc3OC)CC2)cc1	33292955	RCSQEPHZAVWEDW-UHFFFAOYSA-N	500.024	4.205	10	40	KICB	
COc1ccc(N2CCN(C(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(OC)c(Br)c3)CC2)cc1	59881919	MEECVXZBWQQQDV-UHFFFAOYSA-N	588.524	4.319	10	40	KICB	
CCN1C(=O)/C(=C\c2nc3ccc(I)cc3c(=O)n2C)c2cc(Br)ccc21	100022189	NIYHHFRBKPUIIF-UVTDQMKNSA-N	536.167	4.208	10	40	KICB	
Cc1cc(Br)c(NC(=O)COc2ccc(/C=C3/SC(=S)N(CC(=O)O)C3=O)cc2)cc1C	101094984	APULTUGUIGNVJE-GIJQJNRQSA-N	535.441	4.369	10	40	KICB	
CCN(CC)c1ccc(CNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	223663364	NZCMVVMAJVMEDS-UHFFFAOYSA-N	525.671	4.370	10	40	KICB	
COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1I	408781607	CFIBHMZRIUVJTJ-WUXMJOGZSA-N	608.557	4.224	10	40	KICB	
CCCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC	408786303	OXDINFBQNKXDJO-OQLLNIDSSA-N	540.741	4.408	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1	408818558	XEQWGQDSHVQDLD-RGVLZGJSSA-N	629.363	4.462	10	40	KICB	
COc1ccccc1N1C(=O)/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C(=O)NC1=S	409174915	VPAKFXWORZHTNZ-KGENOOAVSA-N	512.547	4.438	10	40	KICB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1	409226008	REQVPUGWFXDIMU-CIAFOILYSA-N	534.912	4.241	10	40	KICB	
COc1ccc(N2C(=O)[C@@H]3[C@@H](c4cccc(Br)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	4119526	UKTNVCORPVFHQM-FDFHNCONSA-N	532.346	4.153	10	40	KICB	
CC[C@@H](C)Nc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O	8834838	RDGOJJJDFNDJOA-KQRQPNSISA-N	524.668	4.366	10	40	KICB	
COCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CCCc2ccccc2)C1=O	9428094	WSEMDMMTGKXAMN-FXBPSFAMSA-N	508.669	4.285	10	40	KICB	
O=C1[C@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@H](c1cccc(Br)c1)OC21C(=O)c2ccccc2C1=O	100413990	AOSXLTXVKBUZQN-NJYVYQBISA-N	547.317	4.052	10	40	KICB	
COC(=O)c1c(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(N(C)C)cc4)[C@@H]3C2=O)sc(C)c1C	100885071	RYPUVJTXNMPBRA-VABKMULXSA-N	505.596	4.269	10	40	KICB	
O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccccc1OCc1ccc(C(=O)O)cc1	103845678	VLAWJLONNQAEIJ-UDWIEESQSA-N	521.323	4.393	10	40	KICB	
Cc1cc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc(C)c1Br	408690638	WEOAYTFUYOWOKA-FKBYEOEOSA-N	539.426	4.110	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccccc1	408936383	FTOQZYJZCCGRSP-YBFXNURJSA-N	599.337	4.453	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@@H]1c1cccc(OC)c1	409334552	GYMBIMBMCAHWRR-XQNWCSQWSA-N	585.682	4.001	10	40	KICB	
CCOCCCN1C(=O)/C(=C/c2c(N3C[C@@H](C)C[C@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S	26533687	CRJICTMTYYSERK-AJOUPAOOSA-N	500.690	4.113	10	40	KICB	
CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl	100232469	SATUDUAOLKHNDF-AUWJEWJLSA-N	542.169	4.364	10	40	KICB	
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)CN3C(=O)[C@H]4CCCC[C@H]4C3=O)c3ccccc32)S1	100560144	WXADZJAHZGWVSX-GASCZTMLSA-N	600.740	4.063	10	40	KICB	
CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2Cl)CC1	105393793	GDFDWPGNSYIYAK-WEVVVXLNSA-N	556.063	4.431	10	40	KICB	
CCN(CC)c1ccc(CNC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(OC)cc2)cc1	222776815	ISZHUOYBFIZJPH-UHFFFAOYSA-N	511.644	4.062	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408938140	KMKAXUAZYRGJFY-VXLYETTFSA-N	596.346	4.310	10	40	KICB	
COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)COC(=O)COc3ccc(Cl)c(C)c3)c2C)c1	103086242	LUJHDTURVVSOQK-UHFFFAOYSA-N	527.957	4.434	10	40	KICB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccc(N2CCOCC2)cc1	223296486	NGOHGVRDTGWHLB-WIRXVTQYSA-N	517.699	4.477	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCc1ccc(I)cc1	408692265	ISDJQQBAKBLSEK-XDHOZWIPSA-N	546.361	4.283	10	40	KICB	
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)c(O)c(Br)c1	408740140	ISLUMNXBBKMKPB-VZUCSPMQSA-N	544.981	4.346	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)ccc1OCc1ccc(C(=O)O)cc1	408759821	MIMGAMNEINHMAC-BKUYFWCQSA-N	516.575	4.421	10	40	KICB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1	408900896	YSYFABDXLQUOJC-HZHRSRAPSA-N	520.563	4.000	10	40	KICB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)cc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409093587	ANADMTXMMSPVSL-CVXGXVHTSA-N	574.747	4.111	10	40	KICB	
COCCNC(=O)Cn1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c2cc(Br)ccc21	409140879	GMERTIKRWNAJKZ-OCKHKDLRSA-N	534.457	4.161	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(Cl)cc4)cc3)C2=O)cc1	409218427	FGIAXFWBFMWFIG-HZHRSRAPSA-N	519.941	4.423	10	40	KICB	
O=C(CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1=O)Nc1cccc2ccccc12	409275634	KVNJAJWFBXMMNL-HAHDFKILSA-N	518.551	4.260	10	40	KICB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	409406110	JMFLCDMEQUPTCZ-ODLFYWEKSA-N	524.327	4.406	10	40	KICB	
Cc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	8434991	VUAMWUGAEXTRGG-BHIFYINESA-N	516.347	4.453	10	40	KICB	
CCCCc1nnc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(C(=O)OC)cc3)SC2=S)s1	8819574	PWQRUINUAZJKAD-SSZFMOIBSA-N	504.659	4.287	10	40	KICB	
Cc1ccc(S(=O)(=O)c2nc(/C=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)oc2N2CCOCC2)cc1	100913015	VYQNCYYDKDDUFS-ZHZULCJRSA-N	559.666	4.193	10	40	KICB	
COc1cc([C@@H](c2cc3c(cc2O)OCO3)N2CCN([C@@H](c3cc(OC)c(O)c(OC)c3)c3cc4c(cc3O)OCO4)CC2)cc(OC)c1O	150404989	OZYXVEASERDBAI-HEVIKAOCSA-N	690.702	4.497	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1	408534971	NDYCTOKAAZDNTL-MOSHPQCFSA-N	566.320	4.252	10	40	KICB	
COc1cc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OC	408537668	WOXPTVUOOZLYFM-UNOMPAQXSA-N	581.375	4.361	10	40	KICB	
Cc1cc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)O)c(Cl)c3)C2=O)ccc1Br	408752497	AYXKKQRHSGHTGH-LFYBBSHMSA-N	528.142	4.194	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)C2=O)cc1	408808482	PVPUQGUCLUJKTP-HZHRSRAPSA-N	559.531	4.416	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1	408898026	KQEMGIDSXYCOGE-LPYMAVHISA-N	517.513	4.135	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4Cl)cc3)C2=O)cc1	409265211	SXSJPUDYNUMOJP-XSFVSMFZSA-N	505.914	4.033	10	40	KICB	
COc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1	409382343	SEWDKJFTOVBCGO-RGEXLXHISA-N	519.941	4.341	10	40	KICB	
COc1ccccc1OCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1OC	2937134	LXBBCWVJBHUIQF-CAPFRKAQSA-N	502.523	4.136	10	40	KICB	
CCc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCc2ccccc2)c2ccc(N(C)C)cc2)cc1	6134778	XZMUQXUYDYATGM-AREMUKBSSA-N	556.692	4.157	10	40	KICB	
COc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCCN4C(=O)c3ccc(C)cc3)CC2)cc1	20766194	USBAYKYTNFFLSD-UHFFFAOYSA-N	505.640	4.108	10	40	KICB	
O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(Br)cc(Br)c1O	100282229	ZOKKOVKAINSRMZ-SDQBBNPISA-N	516.971	4.141	10	40	KICB	
CCOc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(Cl)cc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1	101113830	NNNJDCFIWIEAGO-YTFSRNRJSA-N	501.922	4.434	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1OCC(=O)Nc1ccccc1	409045219	FYELWSABWWKRML-XMHGGMMESA-N	519.941	4.423	10	40	KICB	
COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O	409240821	IGDKLCDUKHOAHE-CPNJWEJPSA-N	500.418	4.279	10	40	KICB	
O=C(COc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1)N1CCOCC1	409348455	SUJLGEKIMZLASG-UNOMPAQXSA-N	508.543	4.349	10	40	KICB	
CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=C\N5CNCCN5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C	936068991	NKXPHCMZBAUXAR-CJYMSHSASA-N	808.926	4.092	10	40	KICB	
COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)c(C(=O)O)c4)c3C)C(=O)NC2=S)c(OC)c1	681904	CGMGFLADZMFIHC-GRSHGNNSSA-N	539.997	4.294	10	40	KICB	
Cc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@@H](C(=O)NC3CCCC3)c3ccc(N(C)C)cc3)n2)cc1	887364	VLAQRCBJAXWYJK-WJOKGBTCSA-N	595.704	4.272	10	40	KICB	
C=CC(=O)N1c2cc(OCC)ccc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C	6631064	JJOKMXKRTFTJTC-UHFFFAOYSA-N	505.639	4.473	10	40	KICB	
COc1cc(N2C(=O)NC(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C2=O)cc(OC)c1OC	9183466	OLPTYBMXKOCIAR-XKZIYDEJSA-N	511.534	4.382	10	40	KICB	
CCOc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCCOc1ccc(OC)cc1	20154776	IBMLERMNWSVCHE-LCQIMXFNSA-N	512.613	4.491	10	40	KICB	
O=C1c2c(O)cc(O)cc2O[C@@H](c2ccc(O)cc2)[C@@H]1c1c(O)cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc12	26187325	GFWPWSNIXRDQJC-PXJZQJOASA-N	556.479	4.499	10	40	KICB	biogenic,in-vitro
COc1ccccc1NC(=O)[C@H](/N=N\c1ccc(-c2nc3ccc(C)c(S(=O)(=O)O)c3s2)cc1S(=O)(=O)O)C(C)=O	100414962	JEPNNQGUMUZZHF-KRAFASIDSA-N	618.671	4.454	10	40	KICB	
COC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC	408934754	CXAAREZGTGDIDR-ZSJKCPIUSA-N	548.064	4.478	10	40	KICB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N[C@H]1c1ccc(N(C)C)cc1	409330478	AOEJXTFAWIUPFC-SJXDCSIJSA-N	628.707	4.469	10	40	KICB	
COC(=O)c1cccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)c1	13025077	ZBPYABJTGCRYFS-MHZLTWQESA-N	531.609	4.350	10	40	KICB	
COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)C1=O	97968827	JBJLCKKRGZERTK-RGEXLXHISA-N	560.704	4.183	10	40	KICB	
CCCCN1C(=O)/C(=C/c2c(N3CCN(c4ccc(OC)cc4)CC3)nc3c(C)cccn3c2=O)SC1=S	100824701	NTCMJKJVQOUQBY-NKFKGCMQSA-N	549.722	4.339	10	40	KICB	
CCOC(=O)c1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]32)cc1	101156944	QEPAUKLNPDFOAU-ZRBLBEILSA-N	529.932	4.212	10	40	KICB	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(OC)cc3)c3ccc(C)cc3O2)cc1	225517416	XCYHXNQKOJYPKO-MHZLTWQESA-N	523.655	4.123	10	40	KICB	
O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccc(I)cc1	408722926	ONNRXHQFWDBACA-KPKJPENVSA-N	503.148	4.429	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C2=O)cc1	408888850	BUTQEFYSCVYCFI-FYJGNVAPSA-N	690.468	4.219	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCc1cccc(F)c1	408891940	WAOKBZFPCLQMDT-VXLYETTFSA-N	588.329	4.390	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(I)c1OCc1cccc(C(=O)O)c1	408911515	NSHJLBPWCAISAF-DJKKODMXSA-N	616.339	4.383	10	40	KICB	
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(C(=O)O)cc5)c4C)c(=O)n32)cc1	408980995	HBKYODQGTMYELB-UQDCTOEPSA-N	585.682	4.301	10	40	KICB	
CC(=O)Nc1ccc(N(C(=O)CSCC(=O)Nc2cc(C)on2)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)c(O)c2)cc1	100286132	OFHUENCFHZIFEN-GDLZYMKVSA-N	609.705	4.248	10	40	KICB	
Cc1cccc(CCN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC(C)(C)C)c2ccc(N3CCOCC3)cc2)c1	6442175	IHAWJUNWIHSGOR-HKBQPEDESA-N	568.722	4.304	10	40	KICB	
CCOC(=O)c1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(C4CC4)C3=O)cc2OC)cc1	36613114	DCBOJGABPJITMN-BKUYFWCQSA-N	512.609	4.253	10	40	KICB	
CCOc1cc(/C=C2/C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2O)ccc1OCc1ccc(C(=O)O)o1	97961741	QGSGIIMCHPVVML-RQZCQDPDSA-N	520.450	4.191	10	40	KICB	
CN1C(=O)C(=Cc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N(C)C1=S	103856192	PFXXKXWXAGZATO-UHFFFAOYSA-N	569.231	4.298	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(Br)c(Br)c1O	103891208	WFNZMSNEBHZLKH-KPKJPENVSA-N	528.128	4.121	10	40	KICB	
CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	408532334	UGFNQGVEKDRJIH-ZDLGFXPLSA-N	599.834	4.467	10	40	KICB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)C1=O	408755433	NQFANJUCSGEEEA-STZFKDTASA-N	500.507	4.201	10	40	KICB	
CCOC(=O)COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)c(C)c2)C1=O	408758440	JZYPDTWWNJUFFL-MHWRWJLKSA-N	566.202	4.128	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	408790398	RAMWWQJTUUIIRU-LPYMAVHISA-N	501.495	4.466	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C2=O)cc1	408891146	MFUMNPDBLCMNHW-FYJGNVAPSA-N	571.007	4.490	10	40	KICB	
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)c(Br)o1	408903014	NOTWCNGBHRAZIK-BJMVGYQFSA-N	518.943	4.234	10	40	KICB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5ccc(OC(C)=O)cc5)c4C)c(=O)n32)cc1OCC	408936645	PLNOFBNMRJPVEG-SWFNHZAASA-N	615.708	4.148	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1	409045787	IAESAULFTKXNPC-UDWIEESQSA-N	535.940	4.128	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(Br)cc1O	409235158	AOXXELABPWVBPQ-LFYBBSHMSA-N	501.280	4.013	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4cccc(C)c4C)c(OC)c3)C2=O)cc1	409270372	DZMQMYIMLQSKDM-HYARGMPZSA-N	529.549	4.005	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(OC)cc4)c(Cl)c3)C2=O)cc1	409380513	NCVNYDSLEYVWJV-HYARGMPZSA-N	549.967	4.431	10	40	KICB	
COc1ccc(CN2C(=O)/C(=C/c3c(N4C[C@H](C)O[C@H](C)C4)nc4c(C)cccn4c3=O)SC2=S)cc1	2350250	HYCJNHNIBLDQHY-QDDATETPSA-N	536.679	4.027	10	40	KICB	
CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCC(C(N)=O)CC3)=NC2=O)c1	9346443	ZBNOBQMESXSSPE-ULJHMMPZSA-N	515.639	4.496	10	40	KICB	
Cc1cc(C)c(NC(=O)CCCN(C)S(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)c(C)c1	10383474	ALNFOZDHOFJPQD-UHFFFAOYSA-N	504.608	4.427	10	40	KICB	
COc1ccc(-c2n[nH]cc2[C@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)cc1	108451464	SFKXQDXMJLFZJH-OAHLLOKOSA-N	528.473	4.122	10	40	KICB	biogenic
Cc1cc(NC(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc(C)c1Br	408690637	WEOAYTFUYOWOKA-BHIFYINESA-N	539.426	4.110	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OCC(=O)Nc4ccc(C)c(C)c4)c3)C2=O)cc1	409248889	FTMUQYLZQSDDJV-PCLIKHOPSA-N	513.550	4.386	10	40	KICB	
NC(=O)COc1c(Br)cc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O	409257989	SIXGYAZEAUREOH-JAIQZWGSSA-N	629.261	4.321	10	40	KICB	
CC(C)CN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC1=S	1451389	XARNGQMJMAZFGJ-QNGOZBTKSA-N	523.659	4.017	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@@H]1c1ccc(OCC)cc1	2164022	JGICRTNOGMLNKF-LAUBZIAYSA-N	599.709	4.391	10	40	KICB	
CCN1C(=O)/C(=C\c2cc(I)cc(I)c2OC)SC1=S	8407624	IJRAOUPDQLYFDA-BJMVGYQFSA-N	531.178	4.126	10	40	KICB	
CCOCCCN1C(=O)/C(=C/c2c(N3C[C@@H](C)C[C@@H](C)C3)nc3c(C)cccn3c2=O)SC1=S	26503375	RPLZPJKRIIZKMS-PIMKSVOMSA-N	500.690	4.113	10	40	KICB	
CCOC(=O)c1ccc2c(c1)N(CCCS(=O)(=O)O)/C(=C\C=C/c1n(CC)c3ccc(C(=O)OCC)cc3[n+]1CCCS(=O)(=O)O)N2CC	33353422	RTVZLFKMGHUGGR-UHFFFAOYSA-O	719.859	4.059	10	40	KICB	
COc1ccc(OC)c(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	100079319	PVDFIACLJXXFGT-UHFFFAOYSA-N	583.707	4.223	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)c(Br)c(Br)c1O	100164555	DKBNRQQMONMAKD-SDQBBNPISA-N	516.573	4.431	10	40	KICB	
CC(C)CC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2Cl)CC1	103932931	KDNLPCUQMRNPCV-XBXARRHUSA-N	556.063	4.431	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C/NC(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1	408538392	MDTDEIJWBJXOKK-JLPGSUDCSA-N	514.582	4.451	10	40	KICB	
O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1	408692264	ISCOQMRPZGQTFL-WOJGMQOQSA-N	513.344	4.131	10	40	KICB	
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5cccc(C(=O)O)c5)c4C)c(=O)n32)cc1	408844814	WSEFLGCXSAYJML-PRLWALMFSA-N	585.682	4.301	10	40	KICB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OC)c(OCC)c3)C2=O)cc1OC	409146803	KVZHBLZBVNUXSD-LICLKQGHSA-N	502.951	4.207	10	40	KICB	
COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)c(O)c2)cc1	902614	FRCFLDRVESLZRB-MUUNZHRXSA-N	529.597	4.075	10	40	KICB	
COc1cc(C=C2C(=O)NC(=O)NC2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl	8983971	YLRRVVSBQNDHIZ-UHFFFAOYSA-N	500.132	4.093	10	40	KICB	
COC(=O)c1cc(N/C(C)=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc(C(=O)OC)c1	103921307	UKQBVSMLJOKLRL-KQWNVCNZSA-N	514.494	4.305	10	40	KICB	
CCOc1cccc(N2C(=O)/C(=C/c3cc(I)c(NC)c(I)c3)C(=O)NC2=S)c1	408741817	NXXZJBMSEFFWDS-VGOFMYFVSA-N	633.249	4.168	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	408887885	RUNDHBHWXYSQJL-HZHRSRAPSA-N	534.590	4.445	10	40	KICB	
Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])c(Cl)c4)c3C)C2=O)cc1	409017839	HWSCFHBKHMOWFP-SRZZPIQSSA-N	507.934	4.496	10	40	KICB	
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409087462	UFPDOHAWTKYVRH-UHFFFAOYSA-N	544.236	4.317	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(Br)cc1OCc1ccccc1F	409372447	KXGNYVSUDXBKSS-RQZCQDPDSA-N	529.318	4.431	10	40	KICB	
Cc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c(C)n1-c1sc2c(c1C(=O)O)CCCC2	409384485	CMNYBFJPLMMIKB-NDENLUEZSA-N	536.585	4.403	10	40	KICB	
COC(=O)Cc1c(-c2ccc(OC)c(OC)c2)oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c12	604406133	XCMJKRYKIOKBDX-UHFFFAOYSA-N	534.473	4.428	10	40	KICB	biogenic
COc1ccc(N2CCN([C@H](c3cc4ccc(C)c(C)c4[nH]c3=O)c3nnnn3Cc3ccccc3)CC2)cc1	6442041	RYVFQHXRFILDNK-GDLZYMKVSA-N	535.652	4.100	10	40	KICB	
C[C@H](C(=O)O)N1C(=O)/C(=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(F)cc2)SC1=S	101964994	TWHKFRFGRQCNNS-JWHLFPLYSA-N	539.404	4.280	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OC(C)C)C2=O)cc1	408801548	VOQLYYMARRVZKY-LDADJPATSA-N	501.333	4.079	10	40	KICB	
Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	409001842	WYWCNHSGGDAIQD-UHFFFAOYSA-N	519.470	4.137	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4sc5c(c4C(=O)O)CCCC5)c3C)C2=O)c(OC)c1	409385471	KSKOXWUZGYIXBG-XDHOZWIPSA-N	549.605	4.416	10	40	KICB	
COc1ccc(N(C(=O)CSCC(=O)Nc2cc(C)on2)[C@H](C(=O)NC2CCCCC2)c2ccc(O)c(O)c2)cc1	8686619	JMANRMWYJJAUPD-NDEPHWFRSA-N	582.679	4.298	10	40	KICB	
Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4Br)C(=O)[C@H]23)cc1	100497421	OOANICOMFJQBMH-FDFHNCONSA-N	516.347	4.453	10	40	KICB	
CCOC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I	164457978	BEIOENOOONLJGS-VGOFMYFVSA-N	725.071	4.267	10	40	KICB	
COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1I	408854397	DWMWUSQAALAPIK-JXMROGBWSA-N	533.174	4.438	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(C(=O)O)cc1	409072147	LWYXGJQBXJGZEW-YBFXNURJSA-N	551.349	4.401	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	409407548	MNPVJZCAUPLZIV-NDENLUEZSA-N	554.372	4.466	10	40	KICB	
Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c(Br)c1	3125051	UUGBDJJZXFXZHN-FDFHNCONSA-N	516.347	4.453	10	40	KICB	biogenic
Cc1c(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)ccc(Br)c1Cl	408691349	ZLMMQIWJJMVWHT-OPYAIIAOSA-N	559.844	4.455	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1	409083267	KXYQZTTZPATXJF-CPNJWEJPSA-N	518.438	4.360	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(I)c1OC	409086351	QKUURHGWNJJKAD-ZENNRRHLSA-N	505.399	4.079	10	40	KICB	
Cc1ccc(CN2C(=O)/C(=C/c3c(NCCCn4ccnc4)nc4ccccn4c3=O)SC2=S)cc1	2351632	XWHKFHLCWBOIOP-QNGOZBTKSA-N	516.652	4.103	10	40	KICB	
COc1ccc(N2CCN(C(=O)COc3ccc(N(Cc4ccc(Cl)cc4)S(C)(=O)=O)cc3)CC2)cc1	59928542	KTDKGEWPRQJXGK-UHFFFAOYSA-N	544.073	4.042	10	40	KICB	
COc1ccc(N2CCN(C(=O)CCCc3nnc4n5nc(-c6ccccc6)nc5c5ccccc5n34)CC2)cc1	101501472	WIYNQNGDRJTPPG-UHFFFAOYSA-N	546.635	4.272	10	40	KICB	
CCN(CC)c1ccc(CNS(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)cc1	225779678	YMYDTZZVPGHHSV-UHFFFAOYSA-N	514.460	4.422	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	408887766	TYUHWLUTGORQCC-KGENOOAVSA-N	520.563	4.055	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCC)cc3OCC)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	408986362	PDLAQQAFHJQJNQ-LMSRTUJASA-N	614.562	4.424	10	40	KICB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccccc4OCC)C3=O)c2C)c1	409241842	SHUIPAHVAZHISC-CJLVFECKSA-N	501.539	4.336	10	40	KICB	
COc1cc(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)Nc1ccc(C)cc1	409407137	LCRCTPLVKYCTPX-BKUYFWCQSA-N	536.382	4.245	10	40	KICB	
O=C(O)CCCN1C(=O)/C(=C2/SC(=S)N(c3ccccc3)C2=O)c2cc(Br)ccc21	98086296	RYLXGWSDHGJLOD-ISLYRVAYSA-N	503.399	4.437	10	40	KICB	
COc1cc(OC)c(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1Br	408739948	BZLVNLWEKRDGOS-NTUHNPAUSA-N	526.206	4.060	10	40	KICB	
COc1ccc(N2CCN(C(=O)CN(Cc3ccccc3F)S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1	409066938	HZEGHUSRMDDXAR-UHFFFAOYSA-N	532.037	4.027	10	40	KICB	
CC(=O)Nc1cccc(N2N=C(C)/C(=c3\s/c(=C4\Sc5ccccc5N4C)c(=O)n3-c3ccc(C)cc3)C2=O)c1	4063584	AEFHNXQCPRDSQI-LQJPZNDESA-N	567.696	4.047	10	40	KICB	
CN1C(=O)[C@@]2(c3cc(Cl)ccc31)N(C)C[C@H](c1ccccn1)[C@@]21SC(=S)N(Cc2ccco2)C1=O	97957166	FJVPZIUKYZDSRG-XYHYBEPMSA-N	525.055	4.028	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(C(=O)O)cc1	100312570	RTPMMIUZEAXSAD-UDWIEESQSA-N	551.349	4.401	10	40	KICB	
COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(I)cc3)C2=O)cc1OC	101005362	BCTQXDBJBDLEDN-YVLHZVERSA-N	540.404	4.148	10	40	KICB	
CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)c2cnc(nc2C4=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C	263593989	BXIOFXWHZIWPCX-IMZBIUOASA-N	704.773	4.274	10	40	KICB	
CCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OCC)cc3)C2=O)cc1OCC	408819496	ZAGFNCHWYGHJHD-LDADJPATSA-N	545.386	4.480	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC	408909926	IYNFKFVZWDBKOM-WLGHQHAYSA-N	600.535	4.034	10	40	KICB	
COC(=O)COc1c(I)cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc1OC	409161814	QBQYRLBUTZYYOR-MFOYZWKCSA-N	632.885	4.360	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc(I)c1OCC	409243994	WBMMAYHNTJSAHO-XNTDXEJSSA-N	536.391	4.228	10	40	KICB	
COc1ccccc1NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1	409383513	ZHJDIUOHQJUMFQ-DEDYPNTBSA-N	505.914	4.033	10	40	KICB	
O=S(=O)(c1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@H]32)cc1)N1CCOCC1	101496256	QMUANPPAJBPXTK-KNKQGSTJSA-N	522.408	4.139	10	40	KICB	
Cc1ccc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)cc1	408537278	UXZPQADVZTYJGO-ZHZULCJRSA-N	552.324	4.485	10	40	KICB	
CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1I	408757197	VVIZTSZJUPKPKK-NTEUORMPSA-N	555.166	4.427	10	40	KICB	
Cc1cc(C)cc(OCCOc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2Cl)c1	97964421	KOVUTLUVFMJXLU-MPZQNCSBSA-N	533.031	4.036	10	40	KICB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3cc(Cl)c(OCc4ccc(C)cc4)c(OC)c3)C(=O)N=C2S1	97964758	HYZQEDSFFDGWNT-ONAIEWRJSA-N	533.031	4.247	10	40	KICB	
CCCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)OCC)cc2)C1=O	408804845	BTOPWXMSPSTCSM-QGOAFFKASA-N	501.333	4.081	10	40	KICB	
CCCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1OC	408805210	JPMYEGQVEIHARN-XNTDXEJSSA-N	520.323	4.063	10	40	KICB	
COc1ccc(N2CCN(C(=O)CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(Br)cc3)CC2)cc1	409079668	LQNNALWRCZMKRL-UHFFFAOYSA-N	572.525	4.306	10	40	KICB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)C1=O	409362507	GVKHEGQIEJMNQM-MOSHPQCFSA-N	507.905	4.471	10	40	KICB	
O=C(COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-])Nc1ccc(Cl)cc1	409399848	NUVPZLNHNOIAKD-ZDLGFXPLSA-N	527.320	4.381	10	40	KICB	
CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(CCc3ccccc3)C2=O)CC1	97947681	GQFIKSVSWPBEPZ-NKFKGCMQSA-N	562.717	4.226	10	40	KICB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=C3/C(=N)N4N=C(c5ccc(C)cc5)SC4=NC3=O)cc2)cc1	97964886	ZWDBXZFSWRPICG-KLUMOMIWSA-N	532.603	4.439	10	40	KICB	
CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OC(=O)c4cccs4)c(Cl)c3)C(=N)N21	101396914	JRSDWIRRSLROJX-YTDNRYEMSA-N	523.017	4.021	10	40	KICB	
CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408760973	BPDUADGUBORKCA-WQRHYEAKSA-N	539.429	4.030	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1cccc(C(=O)O)c1	408858431	SCSHRHSMJFLMJT-LPYMAVHISA-N	516.575	4.421	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(C)o1	408990916	XAOHKTNLRPDNHV-KMBIYUNPSA-N	515.635	4.416	10	40	KICB	
CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C\c3ccc(N4CCOCC4)cc3)c2=O)=N1	409057257	JJNUXBNNEBEXPL-DBXPASCUSA-N	582.122	4.077	10	40	KICB	
COc1ccccc1N1C(=O)/C(=C/c2cn(CC(=O)Nc3ccc(C)cc3)c3ccccc23)C(=O)NC1=S	409173171	LQLRPVKFKILTNB-PXLXIMEGSA-N	524.602	4.428	10	40	KICB	
O=C(COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Br)Nc1ccccc1F	409382358	KNDJSOBSSHWNQQ-ATVHPVEESA-N	538.329	4.272	10	40	KICB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2Br)C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1	689746	MPKFPYYFFKYHDD-GSVIHCLBSA-N	561.480	4.094	10	40	KICB	biogenic,in-vitro
CC1CCN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N(C)C)c3)S2)CC1	2398758	ZOFMHSZGAINRQK-ULJHMMPZSA-N	535.695	4.492	10	40	KICB	
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21	33592465	VCXNCQYEZKMKOC-YZSQISJMSA-N	521.639	4.031	10	40	KICB	
O=[N+]([O-])c1cc([C@H](Nc2ccccn2)n2nnc3ccccc32)ccc1N1CCN(Cc2ccc3c(c2)OCO3)CC1	103763778	FODWBRRZSDUVCL-SSEXGKCCSA-N	564.606	4.444	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OC(=O)c1cccc(C)c1	408529810	DFLQUISXZIKKIE-PXLXIMEGSA-N	500.507	4.288	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)cc(I)c1O	408899299	OEGACTHTIUDKND-QPEQYQDCSA-N	571.165	4.133	10	40	KICB	
O=C1S/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)N1Cc1cccc(Br)c1	409159444	UDFLTPWZVPLQOQ-UNOMPAQXSA-N	504.362	4.430	10	40	KICB	
O=C(NN1C(=O)/C(=C\c2cc(I)c(O)c(I)c2)SC1=S)c1ccccc1	409182625	NNJVYOLNPUGUFX-MDWZMJQESA-N	608.220	4.148	10	40	KICB	
CCOc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3OCc3ccc(C(=O)O)cc3)C(=O)NC2=S)cc1	409187083	LTENLBFTVDMHBC-PXLXIMEGSA-N	532.574	4.202	10	40	KICB	
COc1ccc(N2C(=O)[C@H]3[C@H](c4ccc(Cl)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1OC	100414713	VOPNBHWRSUPTKS-VJBWXMMDSA-N	517.921	4.052	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1	103788169	FWYYFDGWIWVCJV-YNMQQHPQSA-N	587.698	4.232	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(I)c1OC(C)C	112245257	XWJUYRKMYABYSL-MHWRWJLKSA-N	534.350	4.452	10	40	KICB	
C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)CCCN(c3ccc4c(c3)OCCO4)S(C)(=O)=O)cc2)C1	260843254	PWAVAOBMMQQXKP-LEWJYISDSA-N	515.676	4.118	10	40	KICB	
O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(Br)cc(Cl)c1O	408743607	WHSBJAIFUFZGCU-XGICHPGQSA-N	516.598	4.402	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3cccc(F)c3)C2=O)cc1	408889007	APAINRMQDSHGLA-OEAKJJBVSA-N	518.497	4.256	10	40	KICB	
COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n21	408956806	RVYNZNSILVAJQZ-RWTNITNYSA-N	570.509	4.024	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@H]1c1ccc(F)cc1	409018565	MZOKGEODTRMJRW-LCQSEVKBSA-N	587.673	4.440	10	40	KICB	
O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1	409075513	REDLGVVAJOILLQ-YBFXNURJSA-N	566.320	4.301	10	40	KICB	
Cc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	409139801	BQGYGNNLNFBVAP-YTLMXASBSA-N	528.656	4.219	10	40	KICB	
CN1C(=O)[C@@]2(c3cc(Cl)ccc31)N(C)C[C@H](c1ccncc1)[C@@]21SC(=S)N(Cc2ccco2)C1=O	97957115	KNKLRZQWCBEUQY-WVQWTBLQSA-N	525.055	4.028	10	40	KICB	
CCOC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1Cl	100235478	AMQZJFFPVVAZMG-DHDCSXOGSA-N	521.751	4.019	10	40	KICB	
CN1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)C(=O)NC1=S	408913487	LJFIOGNTZKXFIB-NTUHNPAUSA-N	510.207	4.047	10	40	KICB	
COc1ccc(N2CCN(C(=O)CN(Cc3ccc(Br)cc3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1	409061629	YTGNDHYVZHFMSC-UHFFFAOYSA-N	572.525	4.306	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1	409064039	BHVVCKYAWQNTET-CIAFOILYSA-N	578.961	4.469	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1C	409265337	UGZRUVGRMWMCDW-ODLFYWEKSA-N	564.938	4.249	10	40	KICB	
CC[C@@H](C)Oc1c(I)cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1OC	658741	FDIBJYGNCBKAJR-DZZSIBQASA-N	554.381	4.448	10	40	KICB	
COc1c(I)cc(I)cc1/C=C1\C(=O)NN(c2ccc(Cl)cc2)C1=O	6905763	HOVRFJDTZZESFP-NTUHNPAUSA-N	580.547	4.019	10	40	KICB	
COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1C	223147991	BOJPAPYWEOXHIT-UIOOFZCWSA-N	526.106	4.456	10	40	KICB	
COc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccc(F)cc4)c4ccccc34)C(=O)NC2=S)c(OC)c1	409070830	HADVUHZADVMEMV-LPYMAVHISA-N	558.591	4.268	10	40	KICB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409077469	FJXJRIXNRADSHF-UHFFFAOYSA-N	516.200	4.258	10	40	KICB	
CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	409089667	NKMRGULIXVQSAW-LICLKQGHSA-N	559.847	4.375	10	40	KICB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(OC)cc4)c3)C2=O)cc1OC	409389334	XZLSGJBCSUSQEX-JLPGSUDCSA-N	559.575	4.177	10	40	KICB	
CCOc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCSc1ccc(C)cc1	97964501	ZPJKQMFMFRXVSO-LCQIMXFNSA-N	544.680	4.186	10	40	KICB	
COc1ccc(N2CCN(c3nc4ccc(C)cn4c(=O)c3/C=C3\SC(=S)N(CC(C)C)C3=O)CC2)cc1	100762463	HUJSSVLNPMLMNM-HAHDFKILSA-N	549.722	4.195	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)ccc3OC(=O)c3ccccc3)C2=O)cc1	408532686	ITRATVHUGYEMAI-ZHZULCJRSA-N	521.323	4.343	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc(Br)c1OC	408788668	FWMITXRQFYJNMY-WUXMJOGZSA-N	539.766	4.193	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1	409054927	HGBOOSZXCVWKGF-DEDYPNTBSA-N	611.392	4.374	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	409071307	NPPVNNDNWGEHAX-YBFXNURJSA-N	636.395	4.181	10	40	KICB	
COC(=O)COc1ccc(Br)cc1/C=C1/SC(=S)N(NC(=O)C23CC4CC(CC(C4)C2)C3)C1=O	409149906	VGILSCFFORPWQP-UFWORHAWSA-N	565.511	4.450	10	40	KICB	
COc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1	33321691	LTIVRYYXKABWIP-LTGZKZEYSA-N	522.652	4.113	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(N3CCN(Cc4ccccc4)CC3)nc12	100843107	OSXDOBCZNXAIDE-MOHJPFBDSA-N	545.734	4.469	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OC(C)C	408803150	LTGIYKBTCFHSNY-LICLKQGHSA-N	503.349	4.310	10	40	KICB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCC(=O)OC	408902174	LJGQWRCTGAESEZ-LICLKQGHSA-N	520.323	4.048	10	40	KICB	
COc1ccc(NC(=O)COc2ccccc2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1	409382727	QAYVSIWZDGXPKS-FYJGNVAPSA-N	505.914	4.033	10	40	KICB	
O=C1[C@H]2[C@H](c3cccc(F)c3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(Br)cc1	4119509	HZYSCVWIZYZWCD-HKBOAZHASA-N	520.310	4.283	10	40	KICB	
CCCN(CCC)c1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(CCCCCC(=O)O)C1=O	9303969	FUWUVJUFYBVPQJ-CYVLTUHYSA-N	516.689	4.476	10	40	KICB	
O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1	27515406	KKDYFBIRUPAIFP-LYBHJNIJSA-N	505.621	4.247	10	40	KICB	
CN(C)c1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccc3c(c2)OCO3)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1	100329812	MWMWGSWKUFSHHY-HKBQPEDESA-N	613.694	4.493	10	40	KICB	
COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(=O)OC)c1C	223743105	OPAJZOLOEKLOIJ-RPBOFIJWSA-N	506.628	4.201	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OS(=O)(=O)c4ccc(Cl)cc4)c(OC)c3)C2=O)cc1	409065723	JDUPBSWRXZPOPD-YBFXNURJSA-N	668.849	4.396	10	40	KICB	
Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2Br)cc1	409225331	OIDVBHSPAXJVMA-UDWIEESQSA-N	550.365	4.147	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Br)c1O[C@H](C)C(=O)OC	409400558	TZYQJLGWGKDHAN-DYTQJMLRSA-N	568.218	4.012	10	40	KICB	
COc1ccc(N2CCN(c3nc4ccc(C)cn4c(=O)c3/C=C3\SC(=S)N(Cc4ccco4)C3=O)CC2)cc1	6157363	WSHPVKYQLYDKBB-JLPGSUDCSA-N	573.700	4.333	10	40	KICB	
COc1ccc(N2CCN([C@@H](c3cc4c(C)ccc(C)c4[nH]c3=O)c3nnnn3Cc3ccccc3)CC2)cc1	6244850	SLZDINOAJFASEZ-LJAQVGFWSA-N	535.652	4.100	10	40	KICB	
COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)o2)c1	13095906	YEDSRPCLMWZVSA-UHFFFAOYSA-N	501.520	4.260	10	40	KICB	
COc1ccc(CCN2C(=O)/C(=C/c3c(N4C[C@@H](C)O[C@H](C)C4)nc4c(C)cccn4c3=O)SC2=S)cc1	97969865	KHRJEXUVGLTWEH-BKCMQWFXSA-N	550.706	4.069	10	40	KICB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1ccc(OC)cc1	103863231	NRVUSCUSXMLANP-CLNXTWJPSA-N	583.710	4.496	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	408530384	FFHDWYNCQDQUIC-LTRZOUJXSA-N	545.479	4.418	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OC(=O)c1ccc2c(c1)OCO2	408532558	IIWZDOYFRHWNEQ-VCHYOVAHSA-N	565.332	4.072	10	40	KICB	
O=C1NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C(=O)/C1=C\c1ccccc1OC(=O)c1ccc(Br)cc1	408533318	JWLJVYKRLWJMBE-YIOBWQQESA-N	509.356	4.319	10	40	KICB	
COc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OC)c(Br)c3)C(=O)NC2=S)cc1	408756125	TZPLQQNMZDTLCF-QPEQYQDCSA-N	526.206	4.060	10	40	KICB	
COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1	408907096	LVPBYGXIANDKQC-OEAKJJBVSA-N	578.419	4.483	10	40	KICB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCC(=O)Nc1cccc(F)c1	409408530	RBKKZXCONZMTDD-GRSHGNNSSA-N	540.345	4.076	10	40	KICB	
O=S(=O)(Nc1ccc(NS(=O)(=O)c2ccccc2)c(S(=O)(=O)c2ccccc2)c1)c1ccccc1	1610492	NBEVCZCMLOZMFY-UHFFFAOYSA-N	528.633	4.121	10	40	KICB	
COc1ccc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(=O)(=O)c2ccccc2)cc1OC	10113116	MFWKJEFRRAYOKB-UHFFFAOYSA-N	523.655	4.206	10	40	KICB	
CCCCn1c(=O)/c(=C2/Sc3ccc(OC)cc3N2C)s/c1=C1\SC(=S)N(c2ccccc2)C1=O	100500490	NAUYAJOSDGHCIK-SRPFLQSCSA-N	541.745	4.199	10	40	KICB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1	408777829	JUSGQMIUWATJMY-LFVJCYFKSA-N	549.425	4.360	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1Cc1cccc(F)c1	408873169	NZIJXVRMDOITER-HZHRSRAPSA-N	502.498	4.268	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408953162	OWTYLSOCZRSPLR-DJKKODMXSA-N	564.934	4.411	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@H]1c1ccc(F)cc1	409023103	DLFADTQYZLKGMD-RGFRMHDHSA-N	558.679	4.411	10	40	KICB	
O=C1NC(=S)NC(=O)C1=Cc1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1	409045636	ZXQXZQRENMCJCN-UHFFFAOYSA-N	530.625	4.358	10	40	KICB	
Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1	409069645	WOVSAALIUMCYAN-DEDYPNTBSA-N	514.918	4.222	10	40	KICB	
CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3cc(C(=O)OC)ccc3C)c2C)C1=O	409247069	BPJXZHRBKOTRKF-ZVHZXABRSA-N	514.582	4.283	10	40	KICB	
Cc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O	409263820	OLPVNYJESUYMRG-NDENLUEZSA-N	534.912	4.241	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409365597	UNUFCBVVDKLMSM-OCKHKDLRSA-N	660.352	4.031	10	40	KICB	
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O	100416884	AWHFENNDWCBMRU-FKBYEOEOSA-N	516.893	4.252	10	40	KICB	
Cc1cc(Br)c(N2C(=O)NC(=O)/C(=C/c3c(C)nn(-c4cccc([N+](=O)[O-])c4)c3C)C2=O)cc1C	408756796	JPEHQLJYYWGTBS-ODLFYWEKSA-N	538.358	4.443	10	40	KICB	
COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1OCC(=O)Nc1ccc(F)cc1	408899314	OIHYXVFZUZRXKZ-DEDYPNTBSA-N	523.904	4.172	10	40	KICB	
O=C1NC(=O)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1	408939473	MSBUFJQHGHGSHB-YBFXNURJSA-N	521.869	4.192	10	40	KICB	
CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(CCCOC)C3=O)cc2OC)cc1	409255360	HMEJACLOUDFYCX-JCMHNJIXSA-N	516.641	4.349	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCOCCOc1ccc(C)cc1	9301572	SRDQKCMGYWECHK-NCELDCMTSA-N	502.567	4.330	10	40	KICB	
O=C1[C@H]2[C@@H](c3ccccc3O)N[C@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@@H]2C(=O)N1c1ccc(Br)cc1	102782392	YHCPPBZNPZUVIH-PVIBPIFHSA-N	560.404	4.152	10	40	KICB	
CN1C(=O)[C@]2(c3cc(Cl)ccc31)N(C)C[C@@H](c1ccncc1)[C@@]21SC(=S)N(Cc2ccco2)C1=O	102898276	KNKLRZQWCBEUQY-LQGLAIQGSA-N	525.055	4.028	10	40	KICB	
C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1	103102130	PBTYBADWMXRNGJ-LJQANCHMSA-N	580.618	4.397	10	40	KICB	
CCc1cc(Br)ccc1NC(=O)COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O	408682799	GXGHRQKLJWXTSF-FUPPJEDESA-N	539.426	4.056	10	40	KICB	
CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(N(C)C)cc4)c(=O)n32)cc1	408852940	OOSDDKPXRQLCBM-RBRLEXCSSA-N	538.673	4.339	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Cl)c1OCc1ccc(Br)cc1	408915840	ZXQOIGGKIRUDNQ-OVCLIPMQSA-N	509.809	4.337	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409246280	AFGZEIYGNMBMTF-WQRHYEAKSA-N	565.467	4.460	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409409504	VUBYGQWNQBNBDZ-NDENLUEZSA-N	601.372	4.308	10	40	KICB	
CC(C)(C)c1ccc(O)c(CN2CCC3(CCCCNC(=O)c4ccccc4OCCNC3=O)CC2)c1	643567136	SLJMMHYWIDADDJ-UHFFFAOYSA-N	507.675	4.381	10	40	KICB	
COc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1/C=C1\C(=N)N2N=C(C(F)(F)F)SC2=NC1=O	100735340	XOERNXPFFOFOMT-GMXPIUJOSA-N	535.460	4.243	10	40	KICB	
Cc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1Cl	101289747	IAHABIJTKDAPCO-QAUTUDTGSA-N	545.452	4.269	10	40	KICB	
O=C(COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccccc1	409048256	SCFDBHNEEBVRQG-UDWIEESQSA-N	565.336	4.041	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl	409267300	UQWTXHWSRBEXBC-AQTBWJFISA-N	521.982	4.197	10	40	KICB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c(C)c1	409267475	VCYJOUXNLVZIDT-BKUYFWCQSA-N	564.392	4.455	10	40	KICB	
CN(C)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)cc1	409327799	NDZOYLQKTONZFB-GZTJUZNOSA-N	507.353	4.032	10	40	KICB	
O=C1Sc2c(S(=O)(=O)Nc3ccc(O)cc3)cc(S(=O)(=O)Nc3ccc(O)cc3)c3cccc1c23	1795682	CLBCQYRZNKJNMZ-UHFFFAOYSA-N	528.589	4.099	10	40	KICB	
O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccc(O)c(C(=O)O)c1	8820054	SVBBOXBOKLAJAC-JAIQZWGSSA-N	514.581	4.219	10	40	KICB	
Cc1cccc(COc2c(I)cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)cc2I)c1	164431331	BRJPGXFISAQXSZ-UHFFFAOYSA-N	632.261	4.382	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1	408803895	UNPODHQGFIPNSQ-RGVLZGJSSA-N	657.373	4.240	10	40	KICB	
COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1	408882560	QYHZMONCGFKGQI-ZVHZXABRSA-N	601.475	4.402	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1	408898011	KLBKWIGWIQMCGM-DEDYPNTBSA-N	505.914	4.033	10	40	KICB	
COC(=O)COc1c(Br)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1I	408903517	ZAMPOKFVHWDHHK-OVCLIPMQSA-N	555.166	4.412	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccc(Br)cc4)c3)C2=O)cc1	408936514	KSIHZVSUSDUDJJ-HMAPJEAMSA-N	535.350	4.481	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)ccc1OCc1cc(C)cc(C)c1	408943087	ROTMJANLLWWGQK-LPYMAVHISA-N	500.507	4.256	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCC(=O)Nc4cccc(C)c4)c(OC)c3)C2=O)cc1	409049775	YOGHBPUNNXPLRR-CIAFOILYSA-N	669.428	4.079	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1F	409380314	CBMAZUDLXXERBG-MFOYZWKCSA-N	613.352	4.189	10	40	KICB	
Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H](c4ccccc4O)N[C@@](Cc4c[nH]c5ccccc45)(C(=O)O)[C@@H]3C2=O)c1	9488716	IIVZPOSHWDJSRJ-YYZJCXNBSA-N	509.562	4.007	10	40	KICB	
Cc1ccc(/C=C2\SC(=S)N(CCC(=O)NCCN3CCN(C(=O)CCN4C(=O)/C(=C/c5ccc(C)cc5)SC4=S)CC3)C2=O)cc1	97966440	JTGQMSBHUJZORY-ZDSKVHJSSA-N	707.969	4.447	10	40	KICB	
O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCOCC2)cc1	113624009	LWLMPUJRTOYMAR-UHFFFAOYSA-N	533.572	4.054	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)N1CCOCC1	409367742	KENMGWMKEHBSPA-JAIQZWGSSA-N	597.502	4.178	10	40	KICB	
COc1ccc(N2CCN([C@H](c3cc4cc(C)c(C)cc4[nH]c3=O)c3nnnn3CCc3ccccc3)CC2)cc1	1362238	BIJYIZKNHJDFSI-SSEXGKCCSA-N	549.679	4.294	10	40	KICB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(COc4ccc(NC(C)=O)cc4)c3)C(=O)NC2=S)cc1	2286286	SCHXYAFIRWDUPT-PCLIKHOPSA-N	545.617	4.463	10	40	KICB	
Cc1cc(C)cc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCc2ccc(F)cc2)c2ccc(N(C)C)cc2)c1	6193939	SROGXUMQGWVDMJ-AREMUKBSSA-N	574.682	4.351	10	40	KICB	
COc1ccc(N2CCN([C@@H](c3cc4c(C)ccc(C)c4[nH]c3=O)c3nnnn3C3CCCC3)CC2)cc1	19940855	CLDRIMMEWWJRQM-MHZLTWQESA-N	513.646	4.167	10	40	KICB	
O=C1/C(=C/c2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1	97946571	PMCGLOWVBLWPMQ-ONUIUJJFSA-N	597.722	4.147	10	40	KICB	
CCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(Cl)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	100517651	NNNJDCFIWIEAGO-VABKMULXSA-N	501.922	4.434	10	40	KICB	
O=C(CN1C(=O)C[C@@H](N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)C1=O)Nc1cccc(C(F)(F)F)c1	102892758	BYRMONTUGSKGTD-QAQCRAKISA-N	545.564	4.229	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OCC(=O)Nc4ccccc4Cl)c3)C2=O)cc1	409271247	SVHKYGUYTCHOEY-RCCKNPSSSA-N	519.941	4.423	10	40	KICB	
Cc1ccc2nc(NCCc3ccccc3)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1	2319984	FWANLGLTOJMXSC-BWCLHNGZSA-N	506.653	4.038	10	40	KICB	
COC(=O)[C@H]1[C@H](c2ccc(OC)c(OC)c2OC)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	33794747	PCOLEOKCAUWMCO-DSNGMDLFSA-N	525.557	4.319	10	40	KICB	biogenic
CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)cc1	97946409	UBQLZSZQWMMZDX-VPHSIRQSSA-N	591.730	4.215	10	40	KICB	
CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OCC	103859321	UGOMKSSXQBPZMN-CXUHLZMHSA-N	596.228	4.219	10	40	KICB	
COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C	223712395	AOUDBEKUTSZQGK-IZLXSDGUSA-N	533.698	4.251	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1O[C@@H](C)CC	408695105	PIMZFDMZDIIADB-RKPNYOAGSA-N	526.371	4.272	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)cc1OCC(=O)O	408763112	NMUVDHHZACUGQD-VGOFMYFVSA-N	582.201	4.049	10	40	KICB	
CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)C(=O)NC2=S)c1	408786932	YAFYVTJKMLUBMF-YZSQISJMSA-N	530.650	4.161	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@@H]1c1cccc(OC)c1	409019154	YSOGYDDPEXIXQG-NULZLWRNSA-N	599.709	4.309	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)cc3)c(=O)n2[C@H]1c1cc(Br)ccc1OC	409059570	SEHPTISLFTUJHP-GJFKPFFXSA-N	582.520	4.170	10	40	KICB	
O=S(=O)(c1ccc(F)c(F)c1F)N1CCN(Cc2c(O)ccc3cc(Br)ccc23)CC1	25719052	BRKKNMRYSHEZTL-UHFFFAOYSA-N	515.351	4.232	10	40	KICB	
COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)N[C@@H](C)c4ccccc4)cc3Cl)CC2)cc1	108900881	GKHCDMOUGXRRNF-FQEVSTJZSA-N	544.073	4.116	10	40	KICB	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc5c(c4)OCO5)c(OC)c3)C2=O)c1	408853150	MGOMSGDGAAAGKL-CIAFOILYSA-N	560.559	4.467	10	40	KICB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)N1CCCC1	409361560	TUAJMAXRYIWPJX-KGENOOAVSA-N	513.597	4.401	10	40	KICB	
O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1	409371349	CEMVTPAQUXOTRH-YBFXNURJSA-N	526.299	4.191	10	40	KICB	
COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCC3)cc2)c2cc(Cl)ccc2OC)cc1OC	100081851	XDUYNGCXXMQASI-UHFFFAOYSA-N	574.099	4.478	10	40	KICB	
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)CN3C(=O)[C@H]4CCCC[C@H]4C3=O)c3cc(C)ccc32)S1	100112456	XQIRMUWTPKIZME-IYBDPMFKSA-N	614.767	4.372	10	40	KICB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(OS(=O)(=O)c2ccc(C)cc2)c1	408880812	IQOJWNCUHVRNBJ-FYJGNVAPSA-N	526.954	4.091	10	40	KICB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(C)n(-c5ccccc5)c4C)c(=O)n32)cc1OCC	408936727	PQZAOHUUHPHPTQ-ITQMKJDXSA-N	557.672	4.223	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1	409081787	OKOGWUDOKDZMOJ-CBYYHRJHSA-N	627.517	4.078	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)NC2=O)cc(I)c1OCC(=O)Nc1ccc(OC)cc1	409246723	ASDBQJOWNXRESR-YVLHZVERSA-N	570.430	4.205	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1OCC(=O)Nc1ccccc1CC	409264000	JACJNMOTJDZUCE-STZFKDTASA-N	514.625	4.341	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409349114	UNXMXIJFHTUIHF-MFOYZWKCSA-N	600.412	4.463	10	40	KICB	
COc1c(I)cc(I)cc1/C=C1/C(=O)NN(c2ccc(Br)cc2)C1=O	8435019	RFXNIXZQKLUECD-QPEQYQDCSA-N	624.998	4.128	10	40	KICB	
N=C1/C(=C/c2ccc(OCc3ccccc3[N+](=O)[O-])cc2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12	101099727	VUIRRTNOAQMAEC-AKZCVUIYSA-N	532.582	4.196	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccccc2Cl)OC32C(=O)c3ccccc3C2=O)cc1	101133416	RXXRZUJATITGHV-DNVJHFABSA-N	529.932	4.212	10	40	KICB	
Cc1cc(N2C(=O)NC(=O)/C(=C\NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1Br	408532209	MCVGZADZVDMXQR-XYOKQWHBSA-N	512.147	4.353	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)cc1O	408752425	ANBODDYKANDHKX-NTUHNPAUSA-N	524.165	4.291	10	40	KICB	
COC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1Cl	408757370	YZLRMZFIRCOKQJ-AWNIVKPZSA-N	542.169	4.283	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	408954690	SHBRUNOCRYXTDR-DJKKODMXSA-N	626.391	4.400	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccc(C(=O)O)cc4)c(OC)c3)C2=O)cc1	409063604	CUVDJWPHNNCLPZ-RGVLZGJSSA-N	581.375	4.410	10	40	KICB	
Cc1c(NC(=O)[C@H](C(C)C)N2C(=O)/C(=C/c3ccccc3)SC2=S)c(=O)n(-c2ccccc2)n1C	3169827	BHTAZEAYOUZASM-BARSGRSVSA-N	506.653	4.349	10	40	KICB	
COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1	409009807	CBTXVJXSJWKHMS-OEAKJJBVSA-N	587.448	4.406	10	40	KICB	
O=C(COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Br)Nc1ccc(F)cc1	409363082	JJLKVUAKMMUTMB-UNOMPAQXSA-N	538.329	4.272	10	40	KICB	
COc1ccc(N2CCN([C@@H](c3ccc4ncccc4c3)c3nnnn3CCc3ccccc3)CC2)cc1	13511895	LODMJJMLIPVOLD-LJAQVGFWSA-N	505.626	4.384	10	40	KICB	
CCOC(=O)COc1ccc(Br)cc1/C=C1\C(=O)N(c2ccc(CC)cc2)C(=O)N=C1O	32109285	ZUUKKZRZOBBRAH-PDGQHHTCSA-N	501.333	4.460	10	40	KICB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3cc(Br)cc(I)c3O)C2=O)c1	100110838	FJSGHXLQXVFQAQ-AUWJEWJLSA-N	541.139	4.043	10	40	KICB	
CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(N(CC)CC)cc3O)c2=O)=N1	103827012	QAMUIWOJBVURCN-PRLWALMFSA-N	579.719	4.148	10	40	KICB	
CN1C(=O)[C@]2(c3cc(Cl)ccc31)N(C)C[C@H](c1ccncc1)[C@]21SC(=S)N(Cc2ccccc2)C1=O	106022140	QTMRLSJUUPQGIV-COFKYPDJSA-N	535.094	4.435	10	40	KICB	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3O2)cc1	224782258	SNIWPTGPSMGZOK-VWLOTQADSA-N	514.047	4.459	10	40	KICB	
COc1ccc(Cl)cc1-c1nnc(S/C(=C/c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)C(=O)O)o1	408634506	VNSJLVCKKZPZPB-UDWIEESQSA-N	531.978	4.276	10	40	KICB	
O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1cc(Cl)ccc1Cl	408691187	YRWYBANXKQFXHZ-UEXGIBASSA-N	501.366	4.038	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1O[C@@H](C)CC	408854510	HCOQZOIJEDQPFL-MJOIQJIUSA-N	578.359	4.262	10	40	KICB	
CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1Br	408982968	JFKHHFPAASXMSG-SXGWCWSVSA-N	535.778	4.273	10	40	KICB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC)c(OC)c3)C2=O)cc1OC	409143351	BTGVIUJEZHLBEK-LICLKQGHSA-N	502.951	4.207	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NN(c3ccc(Cl)cc3)C2=O)c(Br)c(Br)c1O	669337	KQUVPCYWWBSJFT-KPKJPENVSA-N	516.573	4.431	10	40	KICB	
Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1	12032444	XBSZWBJVEUDVHF-LTGZKZEYSA-N	506.653	4.413	10	40	KICB	
O=C1N=C(O)/C(=C/c2cc(Br)c(N3CCOCC3)o2)C(=O)N1c1cccc(Br)c1	97960547	GGUOXERWCLEHDA-ZROIWOOFSA-N	525.153	4.148	10	40	KICB	
CCOc1ccccc1-n1c(SCC(=O)N2CCN(c3ccc(OC)cc3)CC2)nc2ccccc2c1=O	103053230	ZFNRNPHJHDTUBF-UHFFFAOYSA-N	530.650	4.234	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1	111494517	GBNIMXCGQWNWMV-FCKOQQNDSA-N	570.509	4.026	10	40	KICB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2ccc(S(=O)(=O)Nc3ccccc3Br)cc2)C1=O	408533562	OKXWXJUQVRGWPE-XDJHFCHBSA-N	569.437	4.391	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1ccc(C(C)C)cc1	408736247	NSDOXJPXPYRXRD-BIWBSIMWSA-N	533.694	4.474	10	40	KICB	
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(C(=O)O)cc5)c4C)c(=O)n32)cc1	408980994	HBKYODQGTMYELB-LCQSEVKBSA-N	585.682	4.301	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OS(=O)(=O)c4ccccc4)c(OC)c3)C2=O)cc1	409067386	QOFXUAFGQOMBKG-DEDYPNTBSA-N	601.431	4.291	10	40	KICB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@@H]1c1ccccc1OC	409105879	JNEXFJSZOSMSHF-RBRLEXCSSA-N	544.721	4.021	10	40	KICB	
COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1O	409327947	NXYDUBYTCASOAV-GIDUJCDVSA-N	513.334	4.140	10	40	KICB	
COc1ccccc1NC(=O)COc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O	409370685	SYTSNZYOFCOTDW-RGEXLXHISA-N	505.914	4.033	10	40	KICB	
Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(=O)n2c1	1451401	UQTJSWTZTHCYKE-HMAPJEAMSA-N	537.686	4.326	10	40	KICB	
COc1ccc(N2CCN(C(=O)CN(c3ccc(Br)cc3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1	59882081	WXLBMQMQUAEAGL-UHFFFAOYSA-N	558.498	4.310	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1OCc1ccccc1	408692825	WGQQSHXCVMLKHR-WOJGMQOQSA-N	546.361	4.283	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCC(=O)O	409044941	DOVYMOQKLIWUJC-LFYBBSHMSA-N	605.168	4.127	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1	409047177	NIEOEBDRSHPESX-UDWIEESQSA-N	656.389	4.282	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409076744	BPEVEZINBLXCET-WOJGMQOQSA-N	536.428	4.500	10	40	KICB	
COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)C1=O	409274043	UHAZQEWDEWTIPK-RGVLZGJSSA-N	522.491	4.027	10	40	KICB	
O=C(COc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(F)cc1	409362024	FEMYHGCNQARWLI-NDENLUEZSA-N	538.875	4.071	10	40	KICB	
CC(C)N1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)SC1=S	27022660	BDBLHTFTEUQSQD-KGENOOAVSA-N	512.682	4.399	10	40	KICB	
CN(C)c1ccc(CN(C(=O)c2nc(SCc3ccccc3)ncc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1	100969191	LRBPZRCDXHAQEK-OAQYLSRUSA-N	531.103	4.318	10	40	KICB	
N=C1/C(=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12	101244566	QXZXTTTXPUXCNG-ANYROYSUSA-N	521.986	4.191	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	408529803	DFBOSEUOOLCOKL-FYJGNVAPSA-N	560.559	4.305	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1	408694462	HXGWFGIAFCAUOS-YBFXNURJSA-N	603.413	4.030	10	40	KICB	
CCOC(=O)COc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OC	408760816	ACWAUGXJTRFURH-OVCLIPMQSA-N	596.228	4.137	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409047676	PRAPRFXWTCAZTN-UDWIEESQSA-N	564.392	4.450	10	40	KICB	
O=C1/C(=C/c2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC(=S)N1C1CCCCC1	2438803	JXYRERDXHLJMHX-RLKVQFJASA-N	506.653	4.374	10	40	KICB	
COc1cccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]23)c1	8435321	DXGIDUPULYCHNC-FDFHNCONSA-N	532.346	4.153	10	40	KICB	
COc1ccc(CN2C(=O)/C(=C/c3c(N4C[C@H](C)O[C@@H](C)C4)nc4ccc(C)cn4c3=O)SC2=S)cc1	100902462	JYXGYIAFLYDUJL-RHYNAXJWSA-N	536.679	4.027	10	40	KICB	
CN1C(=O)[C@]2(c3cc(Cl)ccc31)N(C)C[C@H](c1cccnc1)[C@@]21SC(=S)N(Cc2ccco2)C1=O	102898773	LEIKQNQFTZYFCU-NGXZDTIWSA-N	525.055	4.028	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)O)cc4C)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	408996108	ODDQDZLLSJBPHQ-BIWBSIMWSA-N	571.655	4.131	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	409049603	XDXLHGHZOSQRFL-RGVLZGJSSA-N	537.931	4.480	10	40	KICB	
O=C(O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl	409063855	AEOGAWQHLGJFMM-XCVCLJGOSA-N	504.109	4.430	10	40	KICB	
CCOc1cc(/C=C2\C(=O)N(c3cccc(Br)c3)C(=S)N=C2O)ccc1O[C@@H](C)C(=O)O	97944569	FDJYZCPLHSDYFB-PFSWGADMSA-N	519.373	4.371	10	40	KICB	
CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1	97947382	MAGNIAXBDMIADW-PNWWAVQQSA-N	555.703	4.173	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	100262600	WFEXIXVEPFOHAY-NULZLWRNSA-N	615.708	4.311	10	40	KICB	
Cc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)cc1	101120491	UMJYWGUKBRRDBI-XEQYNKKRSA-N	531.638	4.475	10	40	KICB	
COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)c(C)c4)C3=O)o2)cc1	408762873	GRRKFEXZANOBIS-LDADJPATSA-N	509.312	4.471	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(I)c1OC	408818337	VDNFEQRPTSHYGS-XYOKQWHBSA-N	526.714	4.018	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1	409072790	LAOBRCJFPUMQNF-RCCKNPSSSA-N	526.954	4.173	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC(=O)Nc4ccccc4OC)c(OC)c3)C2=O)cc1	409386546	MOAAPUWOIZWWDM-XDHOZWIPSA-N	610.417	4.159	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br	8424433	MQEPJGKVQPNGLB-CCVBWGSMSA-N	644.588	4.433	10	40	KICB	
Cc1cccc(C)c1OCCOc1ccc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)cc1	101141364	PFVXPFPGCULWLO-UAJGQANVSA-N	531.638	4.393	10	40	KICB	
Cc1ccc(C)c(OCCOc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2Cl)c1	101394828	QQIGGVOVDQGGLC-LXEXHQCYSA-N	533.031	4.036	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@H]1c1ccccc1OC	101620874	LHSFACLXDMIUHY-RGFRMHDHSA-N	585.682	4.001	10	40	KICB	
CC(=O)N(C(=O)CC(=O)N1N=C(c2ccccc2)[C@@H](/N=N\c2ccccc2[N+](=O)[O-])C1=O)c1ccc(Cl)cc1	104306205	NOCFURHLBZOEFG-FRDMNLSBSA-N	546.927	4.443	10	40	KICB	
CN1C(=O)C(=Cc2cc(Br)c(OCc3ccccc3F)c(Br)c2)C(=O)N(C)C1=O	105496363	GHSZHPRAPATJMF-UHFFFAOYSA-N	526.156	4.364	10	40	KICB	
CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1I	408771797	IEBNJFWQSMAJRW-RIYZIHGNSA-N	602.166	4.269	10	40	KICB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@@H](c3ccccc3)C(C(=O)OC)=C(CC)N=4)c2C)cc1	409039254	QZUUIASKFNPCOQ-OXWVMCNISA-N	569.683	4.383	10	40	KICB	
NC(=O)COc1c(Cl)cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Cl	409224850	MREAQQKJYHVESR-UHFFFAOYSA-N	510.333	4.441	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4F)c(Br)c3)C2=O)cc1	409375851	PYNLQFMLWQIXPU-PDGQHHTCSA-N	596.365	4.059	10	40	KICB	
CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1	2279045	KTBISMJIDMSICY-FCYPAOMHSA-N	519.667	4.042	10	40	KICB	
CCOc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1	15240553	FEHVTWFWBBJSNR-GXMOOAJBSA-N	507.528	4.488	10	40	KICB	
COc1ccc(N2CCN(c3cc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)ccc3[N+](=O)[O-])CC2)cc1	100128405	NAXQOURHHVBBDS-UHFFFAOYSA-N	572.087	4.094	10	40	KICB	
CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCC(=O)O)c(Br)c3)C(=O)NC2=S)cc1	100215937	FQBFSJRMDLWGPX-VGOFMYFVSA-N	568.243	4.069	10	40	KICB	
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(I)c1OCc1ccccc1F	103857125	JISGTRDHZDEJGF-UHFFFAOYSA-N	554.381	4.007	10	40	KICB	
CC1=NN(c2ccc(I)cc2)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N1CCCC1	408530615	MJAWGYVZZGYVEJ-VBKFSLOCSA-N	528.354	4.192	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccc(C(=O)O)cc4)c(OC)c3)C2=O)cc1	409071514	PGIGIVWASGBJPS-RGVLZGJSSA-N	628.375	4.252	10	40	KICB	
CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1Br	409106040	LSONOEOCBIYOKN-RKPNYOAGSA-N	519.417	4.475	10	40	KICB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C2=O)cc1Cl	409176922	BANMXZTUEIAVCF-JAIQZWGSSA-N	516.963	4.068	10	40	KICB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Br)cc1/C=C1\C(=O)NN(c2ccccc2)C1=O	409407239	DVBCZDVBKZIQOG-VUPRMNMUSA-N	534.322	4.438	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCOc1ccc(C)c(C)c1	9076202	UZQMSHMOSJECOK-HAHDFKILSA-N	504.539	4.415	10	40	KICB	
COc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=S)ccc1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1	102886941	NTZQVIHZVCBYKD-OEAKJJBVSA-N	569.686	4.397	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1	150619708	HKIGSXFSNOQCQI-YOKWNPFVSA-N	635.378	4.398	10	40	KICB	
Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1	409043889	BGTPQCMVNVFFCE-CIAFOILYSA-N	534.912	4.241	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCC(=O)Nc3ccccc3Cl)C2=O)cc1	409262071	DSKCIXXCHRGDIQ-HMMYKYKNSA-N	519.941	4.423	10	40	KICB	
O=C1C(=Cc2cc(Br)c(N3CCOCC3)o2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1	8436958	PXGXACPFWHTFCD-UHFFFAOYSA-N	522.355	4.462	10	40	KICB	
COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(COc4ccc(F)cc4F)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	103252637	IWEBKMGVDZWIMQ-FHQMNNMHSA-N	605.663	4.340	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	408695734	YAEFKQBKZSGJTP-YBFXNURJSA-N	574.403	4.409	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(Br)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	408718716	BAXKGEATTZQRSU-JCAJYURWSA-N	621.351	4.095	10	40	KICB	
COc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(Cl)cc4)cc3)C(=O)NC2=S)cc1	408766951	XNYXELNQDICWRD-HMAPJEAMSA-N	521.982	4.197	10	40	KICB	
CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1I	408905098	SYBFUACHJXSRGJ-NTEUORMPSA-N	512.756	4.175	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccccc1F	408953248	PJLRCBYJWVHGJR-YBFXNURJSA-N	504.470	4.199	10	40	KICB	
O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(C(=O)O)cc1	409075084	UBCUIJPQBNFJGR-UDWIEESQSA-N	521.869	4.192	10	40	KICB	
COc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOCCOc1ccccc1	97964319	NKEMHDKENZSSQC-OZGJTJQNSA-N	534.516	4.351	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N([C@@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)cc(I)c1O	104853792	ZZKCQGWFCSDDAB-SXZIUWBPSA-N	550.393	4.072	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC(=O)c4ccc(Cl)cc4)c(OC)c3)C2=O)cc1	408531485	GYQPDMPQZJVWLJ-DEDYPNTBSA-N	506.898	4.243	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccccc1	409068556	UGNWILOXXUJWGG-DEDYPNTBSA-N	601.431	4.291	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F	409409180	UAQHWAGPNSPOOS-PDGQHHTCSA-N	509.921	4.357	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCc1cccc(C(=O)O)c1	409409519	VZWQYMBGXAJUIP-NDENLUEZSA-N	584.366	4.429	10	40	KICB	
COc1ccc(N2CCN([C@H](c3cc4ccc(C)c(C)c4[nH]c3=O)c3nnnn3C3CCCC3)CC2)cc1	19826474	DHYBUBPTQWNINZ-HHHXNRCGSA-N	513.646	4.167	10	40	KICB	
COc1cc(C(=O)Oc2ccc(Br)cc2/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(OC)c1OC	408536452	RLYSBDDQCSRVDU-BOPFTXTBSA-N	599.365	4.500	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OC	408740267	FFTCGIJAQKRDJM-NTUHNPAUSA-N	587.233	4.211	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc(C(=O)O)c4)cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	408840327	DNBTZOJLRIWVNP-HDFSHUSISA-N	597.693	4.142	10	40	KICB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@@H](c3ccc(OCC)c(OCC)c3)C(C(=O)OC)=CN=4)c2C)cc1	408943824	ZCQYAELQMQQHDP-IUBRTPTASA-N	629.735	4.400	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCc1ccc(C(=O)O)cc1	409071675	HWDMMHYREFRMFS-HYARGMPZSA-N	516.506	4.038	10	40	KICB	
CCOC(=O)Cn1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c2ccccc21	409239648	ZXUWKEMIGBGURU-VCHYOVAHSA-N	501.486	4.055	10	40	KICB	
CCOc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	8837199	QCJXVXBCSPXMAD-JLFKZYKSSA-N	512.613	4.437	10	40	KICB	
CCN(c1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1)S(=O)(=O)c1ccc(SC)cc1	13647118	KEKDKNGHEMWJHK-UHFFFAOYSA-N	525.696	4.390	10	40	KICB	
COc1cc([C@H](c2cc3c(cc2O)OCO3)N2CCN([C@H](c3ccc(O)c(OC)c3)c3cc4c(cc3O)OCO4)CC2)ccc1O	22859567	JNDFMQZGQIMBNM-KKLWWLSJSA-N	630.650	4.480	10	40	KICB	
COc1c(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(CCN(C)C(=O)c2ccccc2)cc2c1OCO2	70671990	OQKQYKQKHAJTHR-JCMHNJIXSA-N	561.978	4.058	10	40	KICB	biogenic
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccc(C)cc1	100180472	MJODOAWPBIRXCP-ZGOFBEGVSA-N	556.644	4.422	10	40	KICB	
O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1cc(I)c(O)c(I)c1	150346742	HEDYSQFXIPUIKB-NYYWCZLTSA-N	638.981	4.030	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408692404	LULQGSHXKWWFOR-VCHYOVAHSA-N	591.358	4.191	10	40	KICB	
COc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1I	408722361	HPWGKNPODDZJQW-WUXMJOGZSA-N	624.625	4.389	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OCC)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1	408728095	HUSMFVXCKLFGSH-NNAGEYCMSA-N	599.709	4.391	10	40	KICB	
COc1cc(N2C(=O)NC(=O)/C(=C\c3cc(Br)cc(Br)c3O)C2=O)c(OC)cc1Cl	408768544	XZUAIFJZINAHTQ-ONNFQVAWSA-N	560.582	4.254	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)ccc3OCC(=O)Nc3cc(C)ccc3C)C2=O)cc1	409269046	DGDQWHZKSCJLFA-HMAPJEAMSA-N	561.978	4.427	10	40	KICB	
Cc1cc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c(C)cc1Br	408690594	WAODWGNDXBHQSD-MZKRTTBSSA-N	539.426	4.110	10	40	KICB	
COc1cc(OC)c(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1Br	408762374	KLVFTYHBTZGQSX-NTUHNPAUSA-N	524.165	4.204	10	40	KICB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(OC)cc4)C3=O)c2C)cc1	408785179	ZHAHBRZXZIWMDL-HZHRSRAPSA-N	503.580	4.111	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C(=O)O)cc4)c(OC)c3)C2=O)c(OCC)c1	408967949	VYFXGAJQBRXKJL-HYARGMPZSA-N	560.559	4.436	10	40	KICB	
CCOc1c(I)cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1OC	409087081	ALJDXIRRXPQVKU-ZENNRRHLSA-N	505.399	4.079	10	40	KICB	
COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)SC2=S)cc1	409199052	NLTRKGPJLMBRSS-UNOMPAQXSA-N	508.537	4.337	10	40	KICB	
CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)C(=O)NC2=S)cc1	409388781	WYGNVSYBOPYJFO-HZHRSRAPSA-N	503.555	4.237	10	40	KICB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)c(OCc2cccc(C(=O)O)c2)c([N+](=O)[O-])c1	409400127	OZQWPQSEAUHWCD-ZDLGFXPLSA-N	538.310	4.096	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	8438698	KCILNLBFPVUBFR-YNMQQHPQSA-N	579.719	4.060	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1/C=C/c1ccccc1	8818349	MTMMWWZCWPGIKB-WCBYOPCZSA-N	501.652	4.310	10	40	KICB	
CCCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc1OC	59484154	LVRCKDWGSTYWOU-BOPFTXTBSA-N	503.349	4.312	10	40	KICB	
CC[C@H](C)Oc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1OC	409107477	VZGYIWBNVCQEFX-WFSQQTBHSA-N	549.443	4.484	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C	409259063	ZHSNNTXDVGGPTH-JCMHNJIXSA-N	513.550	4.386	10	40	KICB	
Cc1ccc(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Cl	409263439	KVTIUBPLYMFDRE-NDENLUEZSA-N	505.914	4.038	10	40	KICB	
CC1(C)COCCC[C@H]2CN(Cc3ccc(O)c(O)c3)CC[C@H]2CC(=O)N(Cc2ccccc2)C[C@@H]1O	1534612814	KWARYTRRTLXNEV-VBOOUTDYSA-N	510.675	4.152	10	40	KICB	
CC(C)(C)NC(=O)[C@@H](c1ccc(N2CCOCC2)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(F)cc1	6074561	ODBBYYZOWNDAQF-MUUNZHRXSA-N	544.631	4.096	10	40	KICB	
CCc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NCCC(C)C)c1ccc(N(C)C)cc1	6135424	UTBMSGXJENBMND-XMMPIXPASA-N	536.702	4.003	10	40	KICB	
O=C1[C@@H]2[C@@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	101099865	OZGITDSQJXVSFG-PCCBWWKXSA-N	547.317	4.052	10	40	KICB	
Cc1cccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccccc4Br)C(=O)[C@H]23)c1	101481156	AJNYTLBAQWGHPI-BHDDXSALSA-N	516.347	4.453	10	40	KICB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c1C	223233040	HNAWRFWRRJJIEY-LOSJGSFVSA-N	508.648	4.330	10	40	KICB	
COc1ccc(CCOc2ccc([C@H](CC(=O)NCCc3ccc(O)c(O)c3)c3c(O)n4ccccc4nc3=O)cc2OC)cc1	230473141	UPBVMRBBGCYJHZ-SANMLTNESA-N	625.678	4.331	10	40	KICB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)c(OS(=O)(=O)c2ccc(C)cc2)c1	408891834	VZGHYFYXEUHMJL-CIAFOILYSA-N	540.981	4.400	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCc1ccccc1F	408894952	LERRSTRDBVMSMT-VCHYOVAHSA-N	588.329	4.390	10	40	KICB	
CCOc1c(I)cc(I)cc1/C=C1\SC(=S)N(C)C1=O	409346635	NGYXJHJTQMSKQZ-YHYXMXQVSA-N	531.178	4.126	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409362454	GGXCEGJQXRQCBC-JAIQZWGSSA-N	645.381	4.219	10	40	KICB	
CCOc1cccc(N2C(=O)/C(=C/c3cn(Cc4ccc(C(=O)OC)o4)c4ccccc34)C(=O)NC2=S)c1	409392451	MQXUMKSSQVMYER-LPYMAVHISA-N	529.574	4.299	10	40	KICB	
CC1(C)[C@H]([N+](=O)[O-])[C@@H](c2cc(Br)ccc2O)N[C@H](c2cc(Br)ccc2O)[C@@H]1[N+](=O)[O-]	8431693	LGUYRGFXQNABSG-TVFCKZIOSA-N	545.184	4.325	10	40	KICB	
O=C(O)CCCCCCCCCCN1C(=O)/C(=C2/C(=O)N(CC(=O)O)c3ccccc32)SC1=S	11565461	WXDBJKWRBKWZBJ-MRCUWXFGSA-N	504.630	4.285	10	40	KICB	
O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)c(I)c1	408692880	XNCLXOMSIGKERS-WOJGMQOQSA-N	534.325	4.414	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408893093	FFGZVKDPEVUHPT-UDWIEESQSA-N	540.981	4.400	10	40	KICB	
Cc1ccc(COc2c(Br)cc(Br)cc2C=C2C(=O)NC(=S)NC2=O)cc1	409046221	JRGCOSKIMXEFTB-UHFFFAOYSA-N	510.207	4.013	10	40	KICB	
CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(N4CCCC4)cc3)c2=O)=N1	409054476	ALJWPUUFRUEHNR-FHMSYZJOSA-N	561.704	4.196	10	40	KICB	
COc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2Br)cc1	409383363	WPGZVKKFGWMWOD-MOSHPQCFSA-N	566.433	4.307	10	40	KICB	
O=C1/C(=C\c2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC(=S)N1CCc1ccccc1	97947079	NGVUCESTWAJUNX-YYADALCUSA-N	567.740	4.461	10	40	KICB	
O=C1[C@@H]2[C@@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1ccccc1	101099859	LKDDVTHACFNPGB-PWRODBHTSA-N	502.320	4.144	10	40	KICB	
CN1C(=O)C(=Cc2ccc(Sc3nc4ccc(N5C(=O)c6ccccc6C5=O)cc4s3)o2)C(=O)N(C)C1=O	103757700	JESHMIBVAUGMSZ-UHFFFAOYSA-N	544.570	4.275	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1ccc(F)cc1	408800360	OMSXOCXQPVTDGW-GTWFGUSFSA-N	515.610	4.345	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1ccccc1OC(C)C	408837164	ZLYCRVVXHGJMCB-QTTRZTASSA-N	549.693	4.137	10	40	KICB	
CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1I	408913025	JRCCGTFABQEIKX-AWNIVKPZSA-N	606.129	4.100	10	40	KICB	
CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C(=O)OCC)cc2)o1	409006156	XURHWPCIEIXNEO-OVVQPSECSA-N	615.639	4.377	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br	409055707	AMCRLIJNZIPWCZ-XGLZOBASSA-N	626.573	4.487	10	40	KICB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1	409134011	OJGAVQDIPKKRBF-VXLYETTFSA-N	538.851	4.405	10	40	KICB	
COc1ccc(N2N=C(C)/C(=C/NN3C(=O)c4cccc5c(Br)ccc(c45)C3=O)C2=O)cc1	16160676	RSRQVFGEMWPKRX-UNOMPAQXSA-N	505.328	4.018	10	40	KICB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCCSc4ccc(C)cc4)c(OC)c3)C(=O)N=C2S1	97964767	RQSMKPAWTACBKA-LCQIMXFNSA-N	544.680	4.186	10	40	KICB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCCOc1ccc(C(C)(C)C)cc1	100270205	XRINARHYKWUPSK-UHFFFAOYSA-N	533.444	4.127	10	40	KICB	
O=C(COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1)Nc1ccc(Cl)c(Cl)c1	408554019	YGRQKIUKGFTNJO-ODLFYWEKSA-N	526.332	4.383	10	40	KICB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	408851157	VQINPMVEUVJDIN-RGVLZGJSSA-N	568.405	4.084	10	40	KICB	
O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)c(I)o1	408951581	JESTVCCTBPPLFE-BJMVGYQFSA-N	537.560	4.131	10	40	KICB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC(=O)O)c(Br)c3)C2=O)cc1OC	409134433	SQDOYPMTFSFYKN-VIZOYTHASA-N	626.254	4.134	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OCC(=O)Nc4ccccc4Cl)c3)C2=O)cc1	409254634	FEXMWSYZFVGUJB-XSFVSMFZSA-N	505.914	4.033	10	40	KICB	
O=C1C(=Cc2ccc(SCCO)c([N+](=O)[O-])c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1	32124847	CFSLXHNIDDMZAL-UHFFFAOYSA-N	505.577	4.428	10	40	KICB	
CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)C(=O)N=C2S1	41077793	UXCAUGVIWIVVKR-YXZMWACZSA-N	509.396	4.194	10	40	KICB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O	408875063	CGPCIFDGYUEXED-STZFKDTASA-N	501.495	4.411	10	40	KICB	
CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C3/C(=O)N(c4cccc(Cl)c4)C(C)=C3C(=O)OC)o2)cc1	408876612	PHYFYQJAJGMMNC-BUVRLJJBSA-N	592.004	4.242	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(NC(C)=O)cc4)c3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409043117	ZPUGHOHXQLKPLQ-FPWMYLJGSA-N	686.787	4.115	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	8451451	DGKVVWYUCXUTNL-USDTVRPUSA-N	615.708	4.311	10	40	KICB	
COc1ccccc1N1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(Cc3ccco3)C2=O)CC1	97947695	WGDVMNDZRHITSN-JLPGSUDCSA-N	573.700	4.333	10	40	KICB	
COc1ccc(C(=O)Oc2c(Br)cc(/C=C3\C(=N)N4OC(C)=CC4=NC3=O)cc2OC)cc1OC	97964605	AMEXMDXTNIUJBS-OIKPAHRISA-N	542.342	4.144	10	40	KICB	
O=C1/C(=C/c2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC(=S)N1C1CCCC1	100830010	SEPBDHIEPNNESO-NKFKGCMQSA-N	531.707	4.161	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCc1cccc(C(=O)O)c1	408947319	BYWGTIAALNYLOX-DJKKODMXSA-N	564.934	4.411	10	40	KICB	
O=C(Cn1cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c2ccccc21)Nc1ccc(F)cc1	409022148	GIQXKUXHGMPRBA-WSDLNYQXSA-N	516.529	4.390	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1C	409261795	BJNHABJQVJXPBU-NDENLUEZSA-N	549.967	4.437	10	40	KICB	
CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1OC	409330134	JGZBBNSLAXFXLR-YVLHZVERSA-N	541.434	4.490	10	40	KICB	
CN(C)c1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccc3c(c2)OCO3)C(=O)Cn2nnc3ccccc32)cc1	906016	OGDOFDZZTRXXMC-WJOKGBTCSA-N	568.678	4.445	10	40	KICB	
COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCC3)cc2)c2ccc(Cl)cc2)cc1	10113579	NSNWQGZGRKDJAF-UHFFFAOYSA-N	514.047	4.461	10	40	KICB	
COc1ccc(Cl)cc1N(CC(=O)NCc1ccc(N2CCCC2)cc1)S(=O)(=O)c1ccccc1	13676423	DPSZIRUWCVQZQU-UHFFFAOYSA-N	514.047	4.461	10	40	KICB	
COc1cc(OC)c([C@]2(O)CN(c3ccc(Br)cc3)C3=[N+]2CCCS3)cc1Br	97971289	XSMGJSQNARQLRN-HXUWFJFHSA-N	529.274	4.400	10	40	KICB	
COc1cccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2OC)c1	100268415	MCJARKBDGUCSKU-QOWGHCFSSA-N	520.489	4.343	10	40	KICB	
Cc1ccc2nc(N3CCN(c4cccc(Cl)c4)CC3)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1	100762304	YRYHSZBZNHVSGJ-XUVWKZFSSA-N	582.151	4.363	10	40	KICB	
CC[C@H](C)N1C(=O)/C(=C\c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	100860350	COJMBKDYYFZUAQ-LUJYGJGBSA-N	537.686	4.468	10	40	KICB	
CC(C)C[C@]1(C(=O)O)N[C@H](c2cc(Br)ccc2O)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]21	103004479	XRGPWTFBQSRQLZ-LVBDUCALSA-N	566.246	4.237	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	163723268	CQOKVFNKSPNKLU-PRLWALMFSA-N	629.651	4.473	10	40	KICB	
COc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC(=O)c4ccc(Br)cc4)c(OC)c3)C2=O)c1	408537364	VNDUQENVLOEAJN-UDWIEESQSA-N	551.349	4.352	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408892726	JIDCKPMEOXMRCC-FYJGNVAPSA-N	643.468	4.377	10	40	KICB	
CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(OC)c(OC)c3)C2=O)cc1	408898814	MTNULPKREFYTFU-BOPFTXTBSA-N	503.349	4.312	10	40	KICB	
COc1ccc(N2CCOCC2)cc1C(=O)N1CCC2(CCCCCc3ccccc3OCCN(C)C2=O)CC1	643562751	OSVMXDYIOBEMBB-UHFFFAOYSA-N	549.712	4.408	10	40	KICB	
COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)NCCSCc2nc[nH]c2C)cc1	20288907	VLMOZNOXYPEUEZ-QJOMJCCJSA-N	506.588	4.183	10	40	KICB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OC(=O)c1cccc2ccccc12	408882631	PSCDMWQJQWLQDI-UHFFFAOYSA-N	525.380	4.135	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409052874	BCEAAHOMUUNQQP-RGVLZGJSSA-N	580.391	4.156	10	40	KICB	
COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1	658238	HBXUSVIJCDIDHK-IWIPYMOSSA-N	506.580	4.252	10	40	KICB	
COc1ccc(OCCCOc2ccc(/C=C3\C(=O)N=C(O)N(Cc4ccco4)C3=O)cc2OC)cc1	9065621	WMBGVIMUXMXWLC-PXLXIMEGSA-N	506.511	4.011	10	40	KICB	
Cc1ccc2nc(NCCCOC(C)C)c(/C=C3\SC(=S)N(CCCCCC(=O)O)C3=O)c(=O)n2c1	100998649	ZEUTWRVPZAKQCX-RGEXLXHISA-N	532.688	4.076	10	40	KICB	
COc1ccc(N2CCN(C(=O)CN(Cc3ccccc3)S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1	409064434	CKBYHWWPTMWWBE-UHFFFAOYSA-N	521.683	4.160	10	40	KICB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccccc2OCC(=O)Nc2ccc(F)cc2)C1=O	409362159	FWRUFCZLSGRSRT-UDWIEESQSA-N	507.905	4.471	10	40	KICB	
COc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O	409375126	FZBHYDSVRKVCMW-CPNJWEJPSA-N	568.355	4.281	10	40	KICB	
Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1	3308878	MCLCTTFSZIXDSU-UHFFFAOYSA-N	509.411	4.414	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OCCOc1ccc([N+](=O)[O-])cc1	100229237	JFZSQRCHYJVIAH-KQWNVCNZSA-N	531.521	4.426	10	40	KICB	
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)[C@H]3CCCO3)c3ccc(OC)cc32)S1	105580322	DTKYYDNDMFOYFE-OAHLLOKOSA-N	535.665	4.076	10	40	KICB	
COc1cc([C@H](c2cc3c(cc2O)OCO3)N2CCN([C@H](c3cc(OC)c(O)c(OC)c3)c3cc4c(cc3O)OCO4)CC2)cc(OC)c1O	150404997	OZYXVEASERDBAI-KKLWWLSJSA-N	690.702	4.497	10	40	KICB	
COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)c([N+](=O)[O-])c1	223190204	OKYCXMUZFFYJRM-KAYWLYCHSA-N	550.685	4.101	10	40	KICB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C	223191300	VHIWCJXVWSGNTJ-SXOMAYOGSA-N	550.685	4.101	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408758751	QJDBVHVUWIWEEE-NDENLUEZSA-N	662.496	4.364	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408892715	JEVRCZAOPLEEJQ-RGVLZGJSSA-N	630.429	4.499	10	40	KICB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OC)c(OC)c3)C2=O)cc1OCC	409187999	FALVMZKEHFIQOD-LICLKQGHSA-N	502.951	4.207	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C	409261761	AXRGJZKTLPQFIB-HMAPJEAMSA-N	529.549	4.092	10	40	KICB	
O=C(N[C@H](c1ccccc1)[C@@H](O)C(=O)OCc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccccc1	8655943	MHQSGAKVNWJEHS-GGXMVOPNSA-N	505.526	4.037	10	40	KICB	
Cc1cccc(N2C(=O)N=C(O)/C(=C\c3cn(CC(=O)NC[C@@H]4CCCO4)c4ccccc34)C2=O)c1C	27549095	AWCACUCUBZQGLB-BOURKTIISA-N	500.555	4.060	10	40	KICB	
CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCc3ccccc3)N3CCN(c4ccc(OC)cc4)CC3)cc2c1	100354983	HPTZYWCAHILAPD-PMERELPUSA-N	549.679	4.240	10	40	KICB	
N=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12	102479582	NQLZOZPFYKQJCX-RSRMSENYSA-N	512.389	4.341	10	40	KICB	
CCCCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2C1=O	103130050	WTADZOUZFXQYKK-MRXNPFEDSA-N	524.529	4.042	10	40	KICB	
O=C1c2cnc3ncnn3c2[C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H](c3cccc(Cl)c3)[C@@H]2N1Cc1ccccc1	107913838	OEGVVYYJFPDBND-AFESJLNVSA-N	561.985	4.475	10	40	KICB	
Cc1cc(N2C(=O)NC(=O)/C(=C\c3ccc(N(C)C)c(Br)c3)C2=O)ccc1Br	408757346	YSHDCCBBLCPQRX-NTEUORMPSA-N	507.182	4.252	10	40	KICB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(I)c(O)cc1O	409032070	ICWLZWORKPKTSU-FARCUNLSSA-N	510.156	4.204	10	40	KICB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)cc(Br)c3O)C2=O)cc1OC	409141020	GTFKOYNLBFZNNE-OQLLNIDSSA-N	568.218	4.377	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(OC)cc1	409383541	WLPDLXBRYSKIAZ-BKUYFWCQSA-N	549.967	4.431	10	40	KICB	
COc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCc1ccccc1[N+](=O)[O-]	9191284	AAHXLAIEJUNXJI-XYSYLGEOSA-N	514.523	4.245	10	40	KICB	
COCCN(CCOC)Cc1c(O)ccc2c(=O)c(-c3ccc(OC)c(OC)c3)c(C(F)(F)F)oc12	54201926	VVOZKHBMHARLFO-UHFFFAOYSA-N	511.493	4.296	10	40	KICB	biogenic
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCc4ccccc4)C3=O)c(N3C[C@@H](C)O[C@H](C)C3)nc12	100946459	PWTMQXXGVNQROC-JWFIYZLRSA-N	534.707	4.451	10	40	KICB	
CC(=O)NC1=NC(=O)/C(=C/c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(Br)c2)S1	408760360	XGDPQQZLAMLCKS-SXGWCWSVSA-N	574.272	4.394	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C2=O)cc1	408884063	SOKLLXNGRWRFFW-FYJGNVAPSA-N	643.468	4.377	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccc(OC)cc1	409256846	MNKLRGWLVLUJGK-SPMKTWQFSA-N	528.652	4.492	10	40	KICB	
O=C(O)CN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)SC1=S	3765866	KPYGWNZHKBWIBY-LZYBPNLTSA-N	509.359	4.222	10	40	KICB	
Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)cc1C	6280341	ZXSFXQIOEIFGLG-RUZDIDTESA-N	548.713	4.344	10	40	KICB	
CCOC(=O)c1c(CN2CCOCC2)n(-c2ccccc2)c2cc(Br)c(O)c(CN(C)C)c12	8443383	BFIKLHXDWFMYBY-UHFFFAOYSA-N	516.436	4.169	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OCC(=O)Nc1cccc(SC)c1	33827567	MQZABCREJJWVEH-GRSHGNNSSA-N	518.638	4.111	10	40	KICB	
CCOc1cccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc(C(=O)O)cc3)C(=O)NC2=S)c1	408848468	ZFWOFJBDQSTYGF-HYARGMPZSA-N	502.548	4.194	10	40	KICB	
Cc1ccc(S(=O)(=O)Oc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2)cc1	408933569	AWQLTEHABAXCJY-STZFKDTASA-N	541.379	4.192	10	40	KICB	
COc1ccccc1NC(=O)COc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC	409382657	MXRBBTAKFMZCCP-WQRHYEAKSA-N	625.388	4.058	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br	8424431	MQEPJGKVQPNGLB-ZWTBYVTRSA-N	644.588	4.433	10	40	KICB	
CN1C(=O)[C@@]2(c3cc(Cl)ccc31)N(C)C[C@@H](c1ccccn1)[C@@]21SC(=S)N(Cc2ccccc2)C1=O	101414037	ZBUYIQUXICGXFL-BAURHKQJSA-N	535.094	4.435	10	40	KICB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccccn1	225387893	KSZQJKFKTYQTKD-JWQCQUIFSA-N	518.668	4.433	10	40	KICB	
Cc1c(Br)ccc(NC(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1C	408677564	AVRDRHAJKNZSNL-ZRCGQRJVSA-N	539.426	4.110	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1	408695122	QBXHMMRYWIQAGV-YBFXNURJSA-N	621.403	4.251	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccc(F)cc4)c(OC)c3)C2=O)cc1	408801220	SJYCQUNDFFFEPZ-RGVLZGJSSA-N	630.366	4.471	10	40	KICB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)C1=O	409242288	WQIIXGZEMNQCCZ-CPNJWEJPSA-N	504.499	4.076	10	40	KICB	
COc1ccc2c3c(n(C[C@@H](c4ccccc4)N4CCN(C)CC4)c(=O)c2c1OC)-c1ccccc1C3=O	604406300	FPRQWVMXNZHAHO-DEOSSOPVSA-N	509.606	4.219	10	40	KICB	biogenic
CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CCN(c4ccc(OC)cc4)CC3)cc2c1	19940689	MDMMAHVOYYQEHF-MHZLTWQESA-N	513.646	4.112	10	40	KICB	
CC(C)C[C@@]1(C(=O)O)N[C@@H](c2cc(Br)ccc2O)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]21	100137172	XRGPWTFBQSRQLZ-QPXQOZNCSA-N	566.246	4.237	10	40	KICB	
COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1C	223147935	BOJPAPYWEOXHIT-IZZNHLLZSA-N	526.106	4.456	10	40	KICB	
COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	408533624	ZNOXNBBHZMZRKL-LSCVHKIXSA-N	508.383	4.434	10	40	KICB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(OCC)cc4)C3=O)c2C)c1	408965100	GEBIJPYTHGDXPD-LFVJCYFKSA-N	501.539	4.336	10	40	KICB	
O=C(Cn1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c2cc(Br)ccc21)NC[C@@H]1CCCO1	409124488	KQNROMFQXHQQRR-LBEDCGAGSA-N	564.527	4.079	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409219057	MSRQZNHWACNCHT-RGVLZGJSSA-N	564.938	4.249	10	40	KICB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1c(Br)cc(Br)c(O)c1Br	409398458	BAAPFBLKMXSTEX-POHAHGRESA-N	516.971	4.141	10	40	KICB	
COc1cccc(N2C(=O)C(=Cc3cc(OC)c(OC)c(OC)c3)C(=O)N(c3cccc(OC)c3)C2=O)c1	2532787	YJSCLUCNWSBQGC-UHFFFAOYSA-N	518.522	4.313	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1	8407174	HKIGSXFSNOQCQI-JUTHHCEFSA-N	635.378	4.398	10	40	KICB	
COc1ccc(N2CCN(C(=O)c3ccc(CN(c4cccc(Cl)c4)S(C)(=O)=O)cc3)CC2)cc1	13677965	LVHWDUVLEWMFKT-UHFFFAOYSA-N	514.047	4.277	10	40	KICB	
O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C/c1ccccc1OS(=O)(=O)c1ccccc1	13810639	SLNJCVZISRMLCG-NCELDCMTSA-N	519.648	4.242	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](c4cccc(Cl)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	18120356	AUDIHLFGQUCBRC-VJBWXMMDSA-N	529.932	4.212	10	40	KICB	
COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1	97944421	CNJHRYKRTRAISQ-HYARGMPZSA-N	564.392	4.174	10	40	KICB	
O=C1[C@H]2[C@@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@@H](c1ccc(Br)cc1)OC21C(=O)c2ccccc2C1=O	169617053	LFOATGZJQMODDA-NJDAHSKKSA-N	547.317	4.052	10	40	KICB	
COc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1[N+](=O)[O-]	408849703	YFDHKMWFFJXUMX-WEVVVXLNSA-N	578.171	4.346	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1	408901623	ZGMSMZOIELDPKG-UDWIEESQSA-N	519.941	4.341	10	40	KICB	
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(N5CCCC5)c(C)c4)c(=O)n32)cc1	409071955	QQPZHLSPRIXYHN-ABBNRAPFSA-N	531.678	4.104	10	40	KICB	
COc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)cc2Br)cc1	409378648	QWPGEKMONMZPAR-UDWIEESQSA-N	568.355	4.281	10	40	KICB	
CCN(CC)CCOC(=O)c1ccc(N/C=C2\C(=O)N=C(S)N(c3ccc(C(C)C)cc3)C2=O)cc1	9350754	VCSOTDHJBQNBCX-HAVVHWLPSA-N	508.644	4.464	10	40	KICB	
CC[C@@H](C)N1C(=O)/C(=C/c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC1=S	26842014	DCDRBUZSDHWAAY-RRMQHPPMSA-N	523.659	4.160	10	40	KICB	
CC(=O)Nc1cc(/N=N/c2cc(/N=N/c3cc(NC(C)=O)cc(S(=O)(=O)O)c3)c(N)cc2N)cc(S(=O)(=O)O)c1	100368832	WNLRSKGBJFLFCB-QAVVBOBSSA-N	590.600	4.092	10	40	KICB	
COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)cc1	223186208	NJWHQJHFLQLBES-KAYWLYCHSA-N	505.688	4.193	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	408760783	FXGJNTAMLMDGBX-JCMHNJIXSA-N	552.630	4.001	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	408880503	IBDDJIHIDARKDI-PXLXIMEGSA-N	520.563	4.136	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)cc3C)c(=O)n2[C@H]1c1cc(Br)ccc1OC	409061565	FRGQCFQUGLQDQI-RISWYLRJSA-N	596.547	4.478	10	40	KICB	
CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)c(Br)cc1O	409329567	GALYCLRULCNMSV-MFOYZWKCSA-N	509.403	4.108	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409374753	YLSHTCBUTSLJTO-VXLYETTFSA-N	586.370	4.259	10	40	KICB	
C[C@@H]1CN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)C[C@@H](C)O1	16734205	DMILYCJQXMSZDS-YFEFYOJCSA-N	506.653	4.271	10	40	KICB	
O=C1[C@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)C1(O[C@H]2c2cccc(Br)c2)C(=O)c2ccccc2C1=O	100413984	AOSXLTXVKBUZQN-HBMCJLEFSA-N	547.317	4.052	10	40	KICB	
COc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)ccc1OCc1ccccc1F	101214069	UHURQSWYEXMMOO-SSYJJTASSA-N	535.601	4.435	10	40	KICB	
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccccc1OCc1ccc(C(=O)O)cc1	103846689	ARRJOGNOLCYNGI-DEDYPNTBSA-N	521.323	4.393	10	40	KICB	
Cc1ccc(O)c(CN2CCC[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCN(C)CC3)C2)c1	257326762	WYMXANSSNVLHGN-MUUNZHRXSA-N	500.083	4.488	10	40	KICB	
CC1=NN(c2ccc(I)cc2)C(=O)/C1=C\Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C	408531442	KNDLJHKMUNPLJT-CYVLTUHYSA-N	570.435	4.190	10	40	KICB	
COc1ccc(N2CCN(S(=O)(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)c(C)c3)CC2)cc1	408627221	YLVVDDVQXIYTIY-UHFFFAOYSA-N	500.020	4.420	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408896900	OUTBLJPTMYBJIJ-XDHOZWIPSA-N	540.981	4.400	10	40	KICB	
CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c2=O)=N1	409046930	SKUKRNJZKVURKZ-BIWBSIMWSA-N	671.570	4.094	10	40	KICB	
COc1ccc(N2CCN(C(=O)CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1	409057915	LUEUZOQAECLNLF-UHFFFAOYSA-N	528.074	4.197	10	40	KICB	
COc1ccc(N2CCN(c3nc4ccccn4c(=O)c3/C=C3\SC(=S)N(CCc4ccc(OC)c(OC)c4)C3=O)CC2)cc1	97946696	RAHDQVDLRAZKHC-HFTWOUSFSA-N	643.791	4.491	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(C)=O)cc4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	408980592	FWTMQPYDBDIGOZ-ASZNLBCTSA-N	555.656	4.327	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	409062145	OKLHJBXFQOLQBC-IAOUMNOZSA-N	561.704	4.114	10	40	KICB	
O=C(COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Cl)Nc1ccccc1Cl	409262747	JTJGFLSIRABJIO-BOPFTXTBSA-N	526.332	4.383	10	40	KICB	
O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1	12632490	IITSOWVXHVCMMO-UHFFFAOYSA-N	508.555	4.466	10	40	KICB	
Cc1ccc(S(=O)(=O)Nc2nc(-c3csc(NS(=O)(=O)c4ccc(C)cc4)n3)cs2)cc1	16310671	QAVOLXHARWUQSK-UHFFFAOYSA-N	506.656	4.485	10	40	KICB	
COc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(OCc4ccc(C(=O)O)cc4)c(OC)c3)C2=O)cc1	33321548	OTPNJEIYSANAED-BKUYFWCQSA-N	502.479	4.488	10	40	KICB	
CCN(CC)c1cc2[nH]c(O)nc2cc1N/C=C1\C(=O)NC(=O)N(c2ccc(Br)c(C)c2C)C1=O	408536591	WTOWBOYECRMOSJ-SDNWHVSQSA-N	541.406	4.073	10	40	KICB	
CCOc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc1OC	408773681	WJQVMWDLOZNXNP-WUXMJOGZSA-N	539.766	4.193	10	40	KICB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)C(=O)NC2=S)cc1	408777373	ZGZSRWBRUDNDCH-KOEQRZSOSA-N	500.624	4.070	10	40	KICB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCOCC4)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	409058259	KAPOGTCIOSEHPL-UOOXJCEYSA-N	586.113	4.426	10	40	KICB	
COC(=O)c1ccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)c3ccccc32)o1	409389516	BTKYBVDDXONGAR-RGVLZGJSSA-N	503.898	4.389	10	40	KICB	
Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCc2ccccc2)c2ccc(N(C)C)cc2)cc1C	6280354	XHTFSUKRXRTJMN-AREMUKBSSA-N	556.692	4.212	10	40	KICB	
Cc1ccc(S(=O)(=O)c2nc(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)oc2N2CCOCC2)cc1	103119264	YTXXYKFSNBPICT-HEHNFIMWSA-N	555.703	4.096	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OC(=O)c1ccc(Br)cc1	408533295	JWHVAEDIIALCKV-SFQUDFHCSA-N	539.313	4.482	10	40	KICB	
COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1	408777214	WMBZIDUPNUDGNN-PLDFPGSMSA-N	510.974	4.209	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1	409083043	KLJAEMQPDJDMJF-AQIZGWBQSA-N	600.535	4.121	10	40	KICB	
O=C1[C@H]2[C@H](C(=O)N1c1ccc(Br)cc1)[C@@](Cc1c[nH]c3ccccc13)(C(=O)O)N[C@H]2c1ccccc1O	101076000	YHCPPBZNPZUVIH-IMBSWCNGSA-N	560.404	4.152	10	40	KICB	
COc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Br)ccc2OC(=O)c2ccc3c(c2)OCO3)C1=O	408538214	ZGDFJGVHRVQZJV-BOPFTXTBSA-N	565.332	4.072	10	40	KICB	
COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I	408895953	GFRWIOZDGXXUMI-WUXMJOGZSA-N	606.008	4.491	10	40	KICB	
CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c(=O)n32)cc1	409034048	NANMYPXQBIMRJN-DBXPASCUSA-N	576.675	4.094	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCC(=O)O	409049665	XQDZIAZYGHHUJZ-CIAFOILYSA-N	550.951	4.448	10	40	KICB	
Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c(C)n1-c1ccc(Br)cc1	409196857	ZJNZDHPAPKQHNM-NDENLUEZSA-N	524.396	4.386	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCC(=O)Nc3ccc(C)cc3)C2=O)cc1	409226491	TVNYITZYJROFBL-HYARGMPZSA-N	564.392	4.450	10	40	KICB	
CCOC(=O)[C@H](C)Oc1c(OCC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c1Cl	409401385	XVFUHLQVLYQKET-RERGGYADSA-N	537.794	4.293	10	40	KICB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1	408768596	YTIPPXZIEHDCCA-XDHOZWIPSA-N	568.323	4.235	10	40	KICB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(OC)cc4OC)C3=O)c2C)c1	409092803	ZEBDCZKXOPHCOA-HYARGMPZSA-N	533.606	4.119	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409266881	YVPRFOBRNPJHSV-JMIUGGIZSA-N	564.938	4.249	10	40	KICB	
CN1CCc2c(sc3c2C(O)=N[C@@H](c2cc(Br)cc(I)c2O)N3)C1	1246556	RJASEQDTFXFBAS-CQSZACIVSA-N	520.190	4.238	10	40	KICB	
COc1ccc(N2CCN(C(=O)c3ccc(CN(c4ccc(C)c(C)c4)S(C)(=O)=O)cc3)CC2)cc1	20060979	XOUGUSYQCNZSEM-UHFFFAOYSA-N	507.656	4.241	10	40	KICB	
COc1ccc(CN2C(=O)[C@@]3(SC2=S)[C@H](c2ccco2)CN(C)[C@]32C(=O)N(C)c3ccc(F)cc32)cc1	97957161	GYDZPKJRCCKGEO-BAURHKQJSA-N	537.638	4.128	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c(OC)c3)C2=O)cc1	408552605	RKZQDBMKQXFXSV-ODLFYWEKSA-N	598.395	4.473	10	40	KICB	
COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3Cl)CC2)cc1	408593295	PWSARRQYTLDOPU-UHFFFAOYSA-N	534.009	4.016	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(Br)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	408718715	BAXKGEATTZQRSU-JAORQVBISA-N	621.351	4.095	10	40	KICB	
COC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br	408778742	YATGFPFIWNOTHU-AWNIVKPZSA-N	572.593	4.083	10	40	KICB	
O=C(O)CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3C(F)(F)F)cc2)SC1=S	409252890	VDZSSBHOXWAWGD-BOPFTXTBSA-N	510.515	4.399	10	40	KICB	
CCOC(=O)c1oc2c(CN3CCN(C)CC3)c(O)c(CC)cc2c(=O)c1-c1nc2ccccc2s1	20057838	DHBTXDFKTCGMAA-UHFFFAOYSA-N	507.612	4.262	10	40	KICB	biogenic
COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Br)c1OCc1ccc(Cl)cc1	97964458	WZFFUWUOGLRNRZ-DUIHUKNUSA-N	583.873	4.311	10	40	KICB	
CCn1c(=O)n(CC)c2cc(N/C=C3\C(=O)N(c4ccc(I)cc4)N=C3C)ccc21	408534170	VDBDGKVVTAQIFD-AQTBWJFISA-N	515.355	4.166	10	40	KICB	
CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc1OC	408772663	DZEURPWJFHELRZ-WUXMJOGZSA-N	539.766	4.193	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc(Cl)c1OCc1ccccc1F	408943331	RXFDRRPITKGDNY-VCHYOVAHSA-N	524.888	4.431	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OC(C)C)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	409014286	IIUCYYZBSQBMQL-XXMKCSCWSA-N	584.536	4.414	10	40	KICB	
CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(C(N)=O)cc4)c3C)C2=O)cc1	409115056	JUOWLYVZESTKKR-OEAKJJBVSA-N	518.595	4.267	10	40	KICB	
COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1	409186049	VVAFSBKTQAHKRI-ONUIUJJFSA-N	601.656	4.084	10	40	KICB	
COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc(I)c1OCc1ccc(C)cc1	409196914	SBDQRSMUVBXRCH-RQZCQDPDSA-N	555.415	4.473	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409224331	KPFQANSECBLOOC-UDWIEESQSA-N	611.392	4.292	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409250654	NJOXMQPZEJQUQL-RGVLZGJSSA-N	537.931	4.480	10	40	KICB	
COC(=O)c1ccc(NCN2C(=O)/C(=C/c3ccc(I)cc3)SC2=S)cc1	2165599	NLUDGBBWTFYJBP-YBEGLDIGSA-N	510.378	4.349	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	8443545	LLGMWSAJYZKZLM-LNXFQTKESA-N	628.545	4.144	10	40	KICB	
CC[C@H](C)N1C(=O)/C(=C/c2c(N3CCN(c4ccc(OC)cc4)CC3)nc3c(C)cccn3c2=O)SC1=S	97957671	VOBJOWIPUJZAKQ-IBZADVPGSA-N	549.722	4.338	10	40	KICB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccc(N(C)C)cc1	223187246	LVHWBGNUPIFLEB-IZLXSDGUSA-N	518.731	4.250	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1	408819589	ZLZPEPKFIQUCHE-RGVLZGJSSA-N	565.922	4.289	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@H]1c1ccc(F)cc1	408837651	KOUOQSNDAFVLBE-RISWYLRJSA-N	559.619	4.043	10	40	KICB	
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3cc(C)n(-c4ccc(C(C)=O)cc4)c3C)c2=O)=N1	409031282	AIFQNWXPTSUWRK-ASZNLBCTSA-N	539.657	4.408	10	40	KICB	
O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Br)Nc1ccccc1	409049941	YWBRVJFHEGOSEG-YBFXNURJSA-N	565.336	4.041	10	40	KICB	
O=C(Cn1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c2cc(Br)ccc21)N1CCCC1	409124616	LCQBWCKASHICPI-GTNUZRKBSA-N	534.501	4.406	10	40	KICB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccccc3)C2=O)cc1OC	409257525	SJLBPBZLRVDUOL-JWGURIENSA-N	529.549	4.168	10	40	KICB	
COc1ccc(CCN2C(=O)/C(=C/c3c(N4CCCCC4)nc4c(C)cccn4c3=O)SC2=S)cc1	1482213	FMIOBOUGAVSQFO-XLNRJJMWSA-N	520.680	4.446	10	40	KICB	
CCNc1nc(NCC)n2c(SCC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nnc2n1	3266357	QYTUIFOQYYBFFH-UHFFFAOYSA-N	508.452	4.151	10	40	KICB	
Cc1cc(C)cc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCC(C)C)c2ccc(N(C)C)cc2)c1	6193929	WLAZQLYFDQPMIS-XMMPIXPASA-N	536.702	4.057	10	40	KICB	
CC[C@@H](C)c1ccc(OCCOc2c(Br)cc(C=C3C(=O)NC(=O)NC3=O)cc2OC)cc1	8843087	OIYQRLDPAOQGGV-CQSZACIVSA-N	517.376	4.178	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	408725381	HSMXWDASWHMQOZ-XQNWCSQWSA-N	585.686	4.180	10	40	KICB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(O)c(I)c3)C2=O)cc1Cl	408990617	XQKDXZFGYJVBNX-WCIBSUBMSA-N	561.557	4.388	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCC(=O)Nc3cccc(C)c3)C2=O)cc1	409046147	IVUQGXHXAKTPHI-BUVRLJJBSA-N	529.549	4.086	10	40	KICB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C2=O)cc1OC	409134289	NRZLYJYRFSWCCN-HZHRSRAPSA-N	594.642	4.231	10	40	KICB	
O=C(COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br)Nc1ccc(F)cc1	409399805	MQPRGTLWORAJFW-UNOMPAQXSA-N	510.319	4.067	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1OCC(=O)OC(C)C	409400939	VXLHRMKUQGSQKQ-YBEGLDIGSA-N	537.794	4.293	10	40	KICB	
CC[C@H](CO)Nc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccccc2Cl)C1=O	1480752	FVGVMWPIAMWAGZ-VXIUPONVSA-N	515.060	4.241	10	40	KICB	
COc1ccc(/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)N=C2O)cc1CN1C(=O)c2ccccc2C1=O	34808316	PBTQZYIBKYEEDE-LPYMAVHISA-N	513.481	4.133	10	40	KICB	
CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCc4ccccc4Cl)c(Cl)c3)C(=O)N=C2S1	41077826	JDSUNUKKVKBTGZ-JXFDPVBFSA-N	509.396	4.194	10	40	KICB	
COc1ccc(-n2c(C)cc(C3=NN=C(Nc4ccc(S(=O)(=O)N5CCOCC5)cc4)SC3)c2C)cc1	97982271	RDUFLLBVUIUFDG-UHFFFAOYSA-N	539.683	4.043	10	40	KICB	
O=C(/C=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1	105354580	CJPVTYXJZHODLR-DUXPYHPUSA-N	528.890	4.003	10	40	KICB	
CC(=O)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(I)cc2)C1=O	408538158	YXCDKGAYZZRWKO-AUWJEWJLSA-N	634.018	4.408	10	40	KICB	
CCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OCC	408797110	BFQRACKNSHPCKY-GZTJUZNOSA-N	531.359	4.090	10	40	KICB	
CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1	408868861	PNMFBTZTZNECAW-IBNIFWCESA-N	569.452	4.390	10	40	KICB	
O=C(COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Cl)Nc1ccc(F)cc1	409363899	OLVRJMKJHCHHSH-UNOMPAQXSA-N	509.946	4.328	10	40	KICB	
CN1CCN(C(=O)CCCOc2ccccc2F)CCOc2ccc(N3CCOCC3)cc2Cc2cccc(c2)C1=O	643588338	DLZSCIDSEVBXNM-UHFFFAOYSA-N	575.681	4.405	10	40	KICB	
CCCCN1C(=O)c2ccc(C(=O)OCC(=O)c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)cc2C1=O	3296049	HWZRTPYVVNDZLZ-UHFFFAOYSA-N	516.550	4.317	10	40	KICB	
COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCC3)cc2)c2cc(C)cc(C)c2)cc1OC	100085483	VSXRZTAVTQRNMD-UHFFFAOYSA-N	537.682	4.433	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408691983	ANARMPIKXJOXNG-YBFXNURJSA-N	512.946	4.420	10	40	KICB	
Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(N(C)C)c(Br)c2)C(=O)NC1=S	408739946	BYWSPQUWXQXODG-NTEUORMPSA-N	523.250	4.417	10	40	KICB	
O=C(O)CCN1C(=O)/C(=C/c2cccc(OCC(=O)Nc3ccccc3C(F)(F)F)c2)SC1=S	409251254	PAWKMQVPFMMHOW-BOPFTXTBSA-N	510.515	4.399	10	40	KICB	
CCOCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(F)cc2)C1=O	8859268	HONOLKFPOXVAIY-ZHZULCJRSA-N	512.632	4.382	10	40	KICB	
CCC(C)(C)n1nnnc1[C@@H](c1cc2c(C)cc(C)cc2[nH]c1=O)N1CCN(c2ccc(OC)cc2)CC1	20079787	UJHOWCJBDJLLNR-AREMUKBSSA-N	515.662	4.197	10	40	KICB	
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2)C1	27528266	FIXVMUDJEAPWBN-HDICACEKSA-N	502.592	4.381	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3ccc(C)c(C)c3)C2=O)cc1	408799810	LKPDFJLTACWBJG-ZVHZXABRSA-N	514.534	4.344	10	40	KICB	
O=C1NC(=S)NC(=O)C1=Cc1cc(Br)cc(Br)c1OCc1cccc(Cl)c1	409046138	IUSZYQSTAMTZSO-UHFFFAOYSA-N	530.625	4.358	10	40	KICB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCc1cccc(C(=O)O)c1	409408989	SJNDNXKIMVTCAM-ODLFYWEKSA-N	523.339	4.196	10	40	KICB	
COc1ccc(N2CCN(C(=O)c3cc(NS(=O)(=O)c4ccc(C)cc4)ccc3Cl)CC2)cc1	38753768	OTSYJYPSPMQSDR-UHFFFAOYSA-N	500.020	4.420	10	40	KICB	
COc1ccc([C@@H]2CN(C)[C@]3(C(=O)N(C)c4ccc(F)cc43)[C@]23SC(=S)N(Cc2ccco2)C3=O)cc1OC	101543019	OZJVRWZLISMEPM-UASRBLEQSA-N	567.664	4.136	10	40	KICB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccc(N2CCOCC2)cc1	223170254	UEYCUFYTZNXRJU-XZWHSSHBSA-N	560.768	4.021	10	40	KICB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@H](c3ccc(OCC)c(OCC)c3)C(C(=O)OC)=CN=4)c2C)cc1	408943821	ZCQYAELQMQQHDP-BLIVLRGHSA-N	629.735	4.400	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccccc1	409073114	XITBSFSIFSPULO-DEDYPNTBSA-N	648.431	4.133	10	40	KICB	
Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cc(C)n(NC(=O)c3ccccc3)c2C)C(=O)NC1=S	409211904	OQLTULMYZBUYLU-DEDYPNTBSA-N	537.439	4.391	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc(Br)c1OCC(=O)N1CCOCC1	409249847	LWZCXRVZGUHHGS-MOSHPQCFSA-N	563.495	4.410	10	40	KICB	
Cc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Br	409250163	LMQUSAOQKUEYQY-UNOMPAQXSA-N	550.365	4.147	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409252124	BWTVKTZENIRDER-JAIQZWGSSA-N	549.967	4.355	10	40	KICB	
Cc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)c2)cc1Cl	409259000	YSSGIPCZFVJAAK-MTJSOVHGSA-N	534.912	4.241	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(I)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	8434801	IYGRMQSXJWKXCY-VABKMULXSA-N	621.383	4.163	10	40	KICB	
Cc1ccc2nc(NCc3ccc4c(c3)OCO4)c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(=O)n2c1	16734305	ZFNDUFKENXCLOJ-UKWGHVSLSA-N	508.625	4.201	10	40	KICB	
CCCCN1C(=O)/C(=C\c2c(N3CCN(Cc4ccccc4)CC3)nc3c(C)cccn3c2=O)SC1=S	97947080	DSHSEFQBAQWDGO-PTGBLXJZSA-N	533.723	4.326	10	40	KICB	
CC1=NN(c2cc(Cl)ccc2Cl)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N1CCN(C)CC1	408532169	PVSBBBRHQOBCHR-QINSGFPZSA-N	500.390	4.046	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408945562	WSLNYJYSHKTODF-VXLYETTFSA-N	643.346	4.152	10	40	KICB	
COc1cccc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)c1OCC(=O)O	409368928	SPSBJFOJXYNETL-VIZOYTHASA-N	528.395	4.403	10	40	KICB	
COc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)cc2OC)cc1	409383237	SQMJDRLFPADMFZ-FYJGNVAPSA-N	580.391	4.150	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409407204	LTNMVRGBEKCLIL-BKUYFWCQSA-N	597.409	4.477	10	40	KICB	
CN(C)CCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1	8820435	NMUOAYWPWQMZPQ-DDIODMMUSA-N	509.653	4.191	10	40	KICB	
COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OCC(=O)Nc1ccccc1	97961977	OTVHWNSCSGQYHV-DEDYPNTBSA-N	525.633	4.320	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408763988	HPHKTQHEFUFKOG-JAIQZWGSSA-N	662.496	4.364	10	40	KICB	
Cc1cc(C)cc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)c1	6193926	JVFXNNOEUXOPAM-RUZDIDTESA-N	548.713	4.344	10	40	KICB	
COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc(Br)c1OC(=O)c1cccs1	97964134	CHLXZUXMNQOVCH-NTUHNPAUSA-N	514.400	4.024	10	40	KICB	
COc1cc(COc2c(Cl)cc(C=C3C(=O)NC(=O)NC3=O)cc2OC)ccc1OCc1ccccc1	408538303	KPRVCQSIQWHWAL-UHFFFAOYSA-N	522.941	4.265	10	40	KICB	
COC(=O)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)Nc4cccc(C)c4)C3=O)c2C)c(C)c1	409098183	OCBBVAJOCWYZPG-OEAKJJBVSA-N	500.555	4.029	10	40	KICB	
CCN(CC)S(=O)(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)c(O)c2)cc1	6511965	WSLPSXLYIJYKGI-WJOKGBTCSA-N	634.759	4.096	10	40	KICB	
CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)[C@H]1/N=N/c1ccc(S(N)(=O)=O)cc1	100524902	MMHVJLIKZOAQBH-LRDZBDLTSA-N	519.406	4.095	10	40	KICB	
CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(N(CC)CC)cc3)c2=O)=N1	103827644	BXZRAUMFLSGPQQ-OXWVMCNISA-N	563.720	4.442	10	40	KICB	
COc1cc(/C=C2\SC(=S)NC2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409248800	QVDAEOJZUDMEIR-NVNXTCNLSA-N	560.822	4.460	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(Br)cc1OCc1cccc(F)c1	409372995	OWOFIRHDLQYDBS-GIJQJNRQSA-N	529.318	4.431	10	40	KICB	
O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1	409374429	PJGRYQLKRIPEBH-YBFXNURJSA-N	526.299	4.191	10	40	KICB	
Cc1cc(C(=O)COC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)c(C)n1-c1ccc2c(c1)OCCO2	2636632	CBGHIBQSVTYYKF-UHFFFAOYSA-N	557.580	4.282	10	40	KICB	
COc1ccc2c(c1)C=C[C@H]1N2[C@H](C(C)=O)[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12	9009273	LJXNRCKOTYLNFS-GFQWBHFJSA-N	509.518	4.166	10	40	KICB	
COc1ccc(/C=C2/SC(=S)N(CCC(=O)N3CCN(C4=NC(=O)/C(=C/c5ccc(C)cc5)S4)CC3)C2=O)cc1	100353390	NSAGNGZDZOVVAW-QFFDILLMSA-N	592.768	4.410	10	40	KICB	
CC(=O)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O	408535392	NXIYFWOBBVRKLJ-ZSOIEALJSA-N	522.149	4.112	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCC	408769169	PKGOQHMOWMMHGQ-MHWRWJLKSA-N	520.323	4.063	10	40	KICB	
Oc1ccc([C@@H](c2cc3c(cc2O)OCO3)N2CCN([C@@H](c3ccc(O)cc3)c3cc4c(cc3O)OCO4)CC2)cc1	19364893	FZGHXOVPCVCAHJ-ACHIHNKUSA-N	570.598	4.463	10	40	KICB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCC(=O)O)C3=O)c(N3CCN(c4cccc(Cl)c4)CC3)nc12	100762273	SSOQKMWYWWLWJQ-PGMHBOJBSA-N	584.123	4.049	10	40	KICB	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC(=O)OC)c(I)c3)C2=O)c1	164353329	YVAPPUAEESUHQU-OVCLIPMQSA-N	673.254	4.069	10	40	KICB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(Br)cc1	408785229	VBFMAOORYPKDBU-VXLYETTFSA-N	508.328	4.252	10	40	KICB	
CCOc1ccc(N2C(=O)/C(=C/c3cc(Br)c(Br)o3)C(=O)NC2=S)cc1	408953136	OLAOKMKWTPVWGF-KPKJPENVSA-N	500.168	4.035	10	40	KICB	
O=C(N[C@@H](c1ccccc1)[C@@H](O)C(=O)OCc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccccc1	8655942	MHQSGAKVNWJEHS-LITSAYRRSA-N	505.526	4.037	10	40	KICB	
C[C@H]1CN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)C[C@H](C)O1	8827829	BRZMSSACCZRKAM-MGIMQLBCSA-N	520.680	4.142	10	40	KICB	
COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1I	408770871	BTHIIGAEYULNHE-WUXMJOGZSA-N	561.557	4.382	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	408988538	RDEJTACDFVCLSL-PNZYDNNZSA-N	600.535	4.034	10	40	KICB	
O=C(Cn1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c2cc(Br)ccc21)NC[C@@H]1CCCO1	409124497	KQNROMFQXHQQRR-VADBIMDJSA-N	564.527	4.079	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)C2=O)cc1	409217815	BWUFTSBHIIXTSD-CIAFOILYSA-N	577.977	4.128	10	40	KICB	
COc1ccc(N2CCOCC2)cc1C(=O)N1CCC2(CCCCc3ccccc3OC[C@H](C)NC2=O)CC1	643563224	XPLARBRXBSDZAF-QHCPKHFHSA-N	535.685	4.064	10	40	KICB	
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)ccc1Cl	6142490	FDRSJZHWPAVQBJ-UHFFFAOYSA-N	547.354	4.411	10	40	KICB	
O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\c1ccc(N2CCOCC2)o1	9311157	YXJWOBSKUYZHLV-OYKKKHCWSA-N	501.583	4.250	10	40	KICB	
Cc1ccc(N2C(=O)[C@H]3[C@@H](c4cccc(Br)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	18181071	YXVHEKDYNXNSHO-BHIFYINESA-N	516.347	4.453	10	40	KICB	
COC(=O)C[C@@H](c1c[nH]nc1-c1ccccc1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	97971929	QKJCPHUDRODPTQ-HNNXBMFYSA-N	530.489	4.073	10	40	KICB	biogenic
COc1cccc(N2C(=O)/C(=C/c3ccc(OC)c(COc4ccc(NC(C)=O)cc4)c3)C(=O)NC2=S)c1	100369223	VFPYPEPMGMLHQG-ZVHZXABRSA-N	531.590	4.073	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	408809146	KHINVWLWMADBAU-HYARGMPZSA-N	545.504	4.026	10	40	KICB	
COc1cc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)N1CCOCC1	409012436	KAUOXDGEXFNQCQ-NLRVBDNBSA-N	585.682	4.298	10	40	KICB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCC(=O)Nc3cccc(C)c3)C2=O)cc1	409049766	YKEPJFWGISOTKE-HYARGMPZSA-N	564.392	4.450	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1	409253630	XNHWZKGFMFEZJJ-UNOMPAQXSA-N	521.982	4.197	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(OCC(=O)Nc4ccccc4)c(Cl)c3)C2=O)cc1	409257480	PLNSVSAIYOYIPF-ODLFYWEKSA-N	568.369	4.464	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1	409407651	NHOXKQAIDGXQAK-MOSHPQCFSA-N	583.382	4.169	10	40	KICB	
CCOc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)c1C	20207167	BLNTVNXZRAEPLJ-JLFKZYKSSA-N	513.645	4.140	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1	110258809	KDJZEBFUIBQMRP-USDTVRPUSA-N	593.746	4.449	10	40	KICB	
CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)c2cnc(nc2C4=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C	263593988	BXIOFXWHZIWPCX-CFMKEFOMSA-N	704.773	4.274	10	40	KICB	
O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1cc(C(F)(F)F)ccc1Cl	408690203	UFXYKFAZLFHFNU-OPYAIIAOSA-N	534.918	4.403	10	40	KICB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4)c(Br)c3)C2=O)cc1	408900173	RVDMQLNMLBQLNJ-DEDYPNTBSA-N	534.366	4.441	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408936380	FTAGPVJDGCLKLZ-VXLYETTFSA-N	552.883	4.410	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)ccc3OCC(=O)Nc3ccccc3C)C2=O)cc1	409266190	KDRVZNRHAXLRRK-STZFKDTASA-N	592.402	4.228	10	40	KICB	
CCOc1ccc([C@H](c2sc3nc(C)nn3c2O)N2CCN(c3ccc(OC)cc3)CC2)cc1OC	22627339	LICFXDFIZVXHDV-HSZRJFAPSA-N	509.632	4.132	10	40	KICB	
COc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1ccc([N+](=O)[O-])cc1	32109420	IMQCIVHHRCJOJB-SCORJZKRSA-N	509.544	4.336	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC	100077545	LNSXFLRBHMVWBW-QTTRZTASSA-N	545.636	4.354	10	40	KICB	
CC[C@@H](C)c1ccc(OCCOc2c(Br)cc(C=C3C(=O)NC(=S)NC3=O)cc2OC)cc1	100259182	XXNLWEHLIIGWOC-CQSZACIVSA-N	533.444	4.343	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1ccc(Br)cc1	100264209	XEKMBHXIVNOCHQ-WVWKGNOCSA-N	605.352	4.389	10	40	KICB	
Cc1cc(I)ccc1NC(=O)COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	103114043	WCOOMDYSVWFZFJ-UHFFFAOYSA-N	570.295	4.079	10	40	KICB	
CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(O)c1	408770225	UWJBSWKRBYWXBC-LAUBZIAYSA-N	568.699	4.434	10	40	KICB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OC(C)C)c(OC)c3)C2=O)cc1	408800486	MWHXWDKVOBTKHM-LICLKQGHSA-N	550.349	4.152	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C	409260522	RMQMBXWLAGLWBA-STZFKDTASA-N	515.591	4.161	10	40	KICB	
CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1OC	409328242	QMDHJUJFGSAOKY-LSCVHKIXSA-N	507.973	4.425	10	40	KICB	
COc1cc(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc([N+](=O)[O-])cc1	409409020	SOUMXHXVVMNADF-NDENLUEZSA-N	524.327	4.406	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12	6354111	WSKFHMXEGDMDMD-QEYQTOMISA-N	527.646	4.026	10	40	KICB	
Cc1cc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CC2)ccc1Br	12696096	BMZPPNKVEDBAEI-UHFFFAOYSA-N	516.461	4.312	10	40	KICB	
Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(I)cc4)C(=O)[C@H]23)cc1	100414969	BSQRRGBVQCWNAM-FKBYEOEOSA-N	563.347	4.295	10	40	KICB	
COc1ccc(CCN2C(=O)/C(=C/c3c(NC[C@H]4CCCO4)nc4c(C)cccn4c3=O)SC2=S)cc1	100913554	FTUHYMCQMFLAQV-AREJXAQWSA-N	536.679	4.046	10	40	KICB	
COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br	101094897	ZZZRSOKSGIJPSD-DJKKODMXSA-N	565.467	4.378	10	40	KICB	
Cc1cccc(OCCOc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC(C)C)cc2)c1	101395918	XCIRRTRISDDQSW-TUKHXMGSSA-N	526.640	4.100	10	40	KICB	
COc1ccc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	113633020	JJKURIJQRYJHLA-UHFFFAOYSA-N	552.653	4.414	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1	408819659	ZYXLGAQUTOJELH-RGVLZGJSSA-N	610.373	4.398	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)cc(I)c1OCC	408868736	OHGJAKFAQMASGP-WJDWOHSUSA-N	534.350	4.317	10	40	KICB	
O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Cl)c(OS(=O)(=O)c2ccccc2)c(Cl)c1	409075103	UJXSPUHOPURLMZ-RQZCQDPDSA-N	562.343	4.336	10	40	KICB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cccc(OS(=O)(=O)c4ccccc4)c3)C2=O)cc1OCC	409191030	YXVSPNCCJIFLSZ-ULJHMMPZSA-N	564.616	4.304	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(CCC(=O)NC34CC5CC(CC(C5)C3)C4)C2=O)cc(OC)c1OC	9404766	NCZGQNSUPDHDLJ-NHDPSOOVSA-N	516.685	4.389	10	40	KICB	
Cc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC(C)(C)C)c2ccc(N(C)C)cc2)cc1	13028470	CVNKNTZQLBBTHN-MUUNZHRXSA-N	512.658	4.491	10	40	KICB	
COc1ccc(N2CCOCC2)c(NC(=O)c2cc(Br)cc(Br)c2OC)c1	20528485	LFCDPXSEEBVZFM-UHFFFAOYSA-N	500.187	4.318	10	40	KICB	
CCOC(=O)N1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccccc3Cl)C2=O)CC1	97947711	DWNZNAYWNJTNNN-HKWRFOASSA-N	570.096	4.028	10	40	KICB	
Cc1cccc(C)c1OCCOc1ccc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1Cl	97964415	SKNPDISAIXREBJ-LXEXHQCYSA-N	533.031	4.036	10	40	KICB	
Cc1cc(NC(=O)CSCC(=O)N(c2ccccc2)[C@H](C(=O)N[C@@H]2C=CCCC2)c2ccc(O)c(O)c2)no1	100326753	VCVGILBSZUNMAA-HRFSGMKKSA-N	550.637	4.065	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCC(=O)Nc1ccccc1	408856034	PCUHAVJZHCRNSH-VXLYETTFSA-N	655.401	4.103	10	40	KICB	
Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cccn2-c2ccc(N(C)C)cc2)C(=O)NC1=S	408954387	STXVJILXVXRJHX-XSFVSMFZSA-N	509.429	4.446	10	40	KICB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCC(=O)Nc4ccccc4F)c3)C2=O)cc1OC	409382281	MMYDZFKNCKPTLB-QNGOZBTKSA-N	547.539	4.307	10	40	KICB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2F)c(I)c1	409400921	VKWLFGMZHMKLJV-PDGQHHTCSA-N	514.294	4.471	10	40	KICB	
CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C/NCCN1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1	100113965	GYYSKZPQOZNGSA-LHLOQNFPSA-N	521.681	4.163	10	40	KICB	
CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@]2(SC(=S)N(Cc3ccco3)C2=O)[C@@]12C(=O)Nc1ccc(F)cc12	103019413	DEGMUQLPHYVTCX-UKDVSSAZSA-N	538.582	4.003	10	40	KICB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccc(N2CCOCC2)cc1	223170200	UEYCUFYTZNXRJU-IHLOFXLRSA-N	560.768	4.021	10	40	KICB	
COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(OC)cc2[N+](=O)[O-])c1C	223727839	XABWLWUAEUUWMU-LOSJGSFVSA-N	523.615	4.332	10	40	KICB	
COC(=O)[C@H](Cc1ccccc1)NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21	1565524675	RRQJHWBFJPKXSV-SETSBSEESA-N	536.632	4.079	10	40	KICB	
COc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCCCC5)cc4)c(=O)n32)c1	3772008	GJSDFJNWOSAYFV-DBXPASCUSA-N	531.678	4.186	10	40	KICB	
Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C2/C(=N)N3N=C(c4cccs4)SC3=NC2=O)cc1	8495491	WIZMEMGUYYMQNX-YHBINRDGSA-N	508.606	4.492	10	40	KICB	
CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)cc1	97946410	UBQLZSZQWMMZDX-YVBHXKDBSA-N	591.730	4.215	10	40	KICB	
COc1cccc([C@H]2CN(C)[C@]3(C(=O)N(C)c4ccc(F)cc43)[C@]23SC(=S)N(Cc2ccco2)C3=O)c1	101400010	LJEIUUBZLKIRLN-ZFWHIUCFSA-N	537.638	4.128	10	40	KICB	
N=C1/C(=C/c2ccc(OCc3ccccc3F)cc2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12	102464332	HNDZBFYSPWXNLY-PPIATVRMSA-N	505.575	4.426	10	40	KICB	
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	102869494	NMECJMQVTFBPMX-XPWALMASSA-N	574.383	4.321	10	40	KICB	
COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1OCc1ccc(Br)cc1	103856600	HSZNJJIIQJLJHN-UHFFFAOYSA-N	554.260	4.398	10	40	KICB	
COc1cc([C@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c(O)nc3ccccn3c2=O)ccc1OCCc1ccccc1	108451102	HIANPAZSKGGMNW-VWLOTQADSA-N	595.652	4.322	10	40	KICB	biogenic
Cc1ccc(N2C(=O)/C(=C/c3cc(Br)c(I)o3)C(=O)NC2=S)c(C)c1	408955054	VPMOKPYERMKEOC-IZZDOVSWSA-N	531.169	4.095	10	40	KICB	
COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1	409012731	RPQJPXLJJOZKSS-WCIBBKAISA-N	506.580	4.192	10	40	KICB	
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3cc(C)n(-c4cccc(C(C)=O)c4)c3C)c2=O)=N1	409031398	AJQVGZFEZLKHGM-YNMQQHPQSA-N	539.657	4.408	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@H]1c1ccc(Cl)cc1	409055345	KYWIIVPESKYSJG-ZMIGGIFCSA-N	522.070	4.360	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCc1ccc(C(=O)O)cc1	409068706	HPXIQUPKYAAFGZ-RGVLZGJSSA-N	581.375	4.497	10	40	KICB	
Cc1cccc(NC(=O)COc2cccc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2)c1	409267019	RIOACBUPCTVRJA-HYARGMPZSA-N	534.366	4.441	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409366047	XRBWILXMCBGTQS-OCKHKDLRSA-N	568.901	4.080	10	40	KICB	
C=C/C(=C\C(O)=C\O)C[C@@H](OC(=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)C(=O)O	936068982	GUAIJGSSYXMAGM-DICWZVSBSA-N	720.636	4.141	10	40	KICB	
COc1ccc(C(=O)Oc2ccc(/C=C3\C(=N)N4OC(C)=CC4=NC3=O)cc2Br)cc1OC	41078409	SMOJQMGSRJOZNG-GGHQPTPASA-N	512.316	4.136	10	40	KICB	
CCOc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OCc1ccccc1Cl	97964730	NGWSOAPCILLLFV-LXEXHQCYSA-N	533.031	4.329	10	40	KICB	
CN(C)c1ccc(CN(C(=O)c2nc(SCc3ccccc3)ncc2Cl)[C@H]2CCS(=O)(=O)C2)cc1	100969194	LRBPZRCDXHAQEK-NRFANRHFSA-N	531.103	4.318	10	40	KICB	
O=C1NC(=O)C(=Cc2ccc(Sc3nc4ccc(NC(=O)c5ccccc5)cc4s3)c([N+](=O)[O-])c2)C(=O)N1	103805982	NUQSTBZXCBFZKS-UHFFFAOYSA-N	545.558	4.357	10	40	KICB	
O=C1C[C@H](c2coc3ccc(Cl)cc3c2=O)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1	108449373	FXSKEQJUZIGCJU-GFCCVEGCSA-N	534.860	4.483	10	40	KICB	biogenic
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1	109350824	HWAVVLJXHPLQHG-YNMQQHPQSA-N	563.720	4.440	10	40	KICB	
Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cccn2-c2cccc(C(=O)O)c2)C(=O)NC1=S	409104453	IUFYDZYAFRRCPW-LDADJPATSA-N	510.369	4.078	10	40	KICB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCC(=O)Nc4ccccc4C)c3)C2=O)cc1OC	409255117	GHDRCSYIJRFNFK-KQWNVCNZSA-N	543.576	4.476	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1C	409266183	PRKFXEHHMAYSFT-JAIQZWGSSA-N	641.418	4.306	10	40	KICB	
COc1ccc(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1	409375719	OKCNBTKWKSGBCX-STZFKDTASA-N	505.914	4.033	10	40	KICB	
Cc1ccc2occ([C@@H]3CC(=O)Oc4cc(O)c5c(=O)c(O)c(-c6ccc(O)c(O)c6)oc5c43)c(=O)c2c1	96221856	ZNKNNZWUSIVXIK-ZDUSSCGKSA-N	514.442	4.138	10	40	KICB	biogenic
Cc1ccc(CN2C(=O)[C@@H]3[C@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	100517626	BLAATVRAIPYQGN-VABKMULXSA-N	530.374	4.448	10	40	KICB	
CN1C(=O)C(=Cc2ccc(OCc3ccc(Br)cc3)c(Br)c2)C(=O)N(C)C1=S	103855874	KWUYPCKAYXORCL-UHFFFAOYSA-N	524.234	4.389	10	40	KICB	
COc1c(I)cc(I)cc1/C=C1\C(=O)NN(c2ccc(Br)cc2)C1=O	150572787	RFXNIXZQKLUECD-NTUHNPAUSA-N	624.998	4.128	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408799050	GSBCPRRGXPDXEB-DJKKODMXSA-N	552.883	4.410	10	40	KICB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(Br)c(OCC)c(OCC)c2)C1=O	409222495	XIURDEGWEPFJOL-RVDMUPIBSA-N	503.349	4.312	10	40	KICB	
CCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O	8834840	GLZLVAMEQDBABY-PGMHBOJBSA-N	524.668	4.368	10	40	KICB	
CN1C(=O)[C@@]2(c3cc(Cl)ccc31)N(C)C[C@@H](c1ccncc1)[C@@]21SC(=S)N(Cc2ccco2)C1=O	97957116	KNKLRZQWCBEUQY-OWAUWMPXSA-N	525.055	4.028	10	40	KICB	
Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4O)N[C@](Cc4c[nH]c5ccccc45)(C(=O)O)[C@H]3C2=O)cc1C	102778987	MTYRNJBYRTZUPC-HNRABGRISA-N	509.562	4.007	10	40	KICB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C	223190061	OSJWVBJBHQYRRV-RRPNLBNLSA-N	550.685	4.101	10	40	KICB	
CCOC(=O)COc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC	408769335	RJDCKADVQXIZAA-CXUHLZMHSA-N	551.777	4.110	10	40	KICB	
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)CN3C(=O)c4ccccc4C3=O)c3c(OC)cccc32)S1	8395894	LPTWLPJLBHUZDW-UHFFFAOYSA-N	624.718	4.193	10	40	KICB	
C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2c(NCCCn3ccnc3)nc3ccccn3c2=O)SC1=S	8834854	SZTGWZPNTVDPLI-RWZYYMRUSA-N	516.652	4.356	10	40	KICB	
N=C1/C(=C/c2ccc(OCCCOc3ccccc3)cc2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12	13769874	HQPDQARVNUJUGR-RASFQVKSSA-N	517.611	4.166	10	40	KICB	
Cc1ccccc1[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccccc3I)C(=O)[C@H]12	100497452	UIMQIIJFXZVUIJ-FDFHNCONSA-N	563.347	4.295	10	40	KICB	
COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccccc2Cl)OC32C(=O)c3ccccc3C2=O)c(OC)c1	101654870	ZRWHLENYRZNAOF-DNVJHFABSA-N	517.921	4.052	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	103851095	LJHURPRCMPZDQH-XNTDXEJSSA-N	538.469	4.274	10	40	KICB	
COc1ccc(CN2C(=O)[C@]3(SC2=S)[C@H](c2ccncc2)CN(C)[C@@]32C(=O)N(C)c3ccc(Cl)cc32)cc1	106021723	PIAGVSRZVXHIRF-QLCOJLISSA-N	565.120	4.444	10	40	KICB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409007547	OZBFGEUZYBHEHO-UHFFFAOYSA-N	559.688	4.485	10	40	KICB	
CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(N(CC)CC)cc4OC)c(=O)n32)cc1	409036561	RRGXSUKALSTEAB-RGFRMHDHSA-N	563.720	4.440	10	40	KICB	
CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(s/c(=C/c3ccc(N4CCCC4)c(C)c3)c2=O)=N1	409055936	FOMKJUPRLSPKFE-QWYUUOJISA-N	545.705	4.496	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	409073450	NFEWGKMECBKFLX-GIJQJNRQSA-N	592.369	4.344	10	40	KICB	
Cc1cc(/C=C2\C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c(C)n1-c1ccc(Cl)cc1	8777668	OMDSPPLZCXNHSZ-IWIPYMOSSA-N	512.031	4.285	10	40	KICB	
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCOCC3)cc2)c2cc(Cl)ccc2C)cc1	13632022	WBCZZVWGXCACBT-UHFFFAOYSA-N	528.074	4.305	10	40	KICB	
COc1ccc(N2CCN(CN3C(=O)[C@]4(OC[C@H](COc5ccc(Cl)cc5)O4)c4ccccc43)CC2)cc1	98007894	JJYXTUXQRGSHTA-SVEHJYQDSA-N	536.028	4.122	10	40	KICB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OCc1ccc(F)cc1	101396110	TVKWMNAICNUVNU-MASFNPCMSA-N	530.603	4.061	10	40	KICB	
Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCS(=O)(=O)O)C2=O)cc2c1O[C@H](C)C2	102601851	XVMCRFJXTZSRQV-WMRWHDLOSA-N	541.676	4.260	10	40	KICB	
Cc1cccc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)c1	408538008	YKGDIDVSXDXROI-ZHZULCJRSA-N	552.324	4.485	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408692822	WFIRLPGCMOODQU-VCHYOVAHSA-N	544.358	4.349	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccc(C(=O)O)cc1	408766511	VBQYVBQGPRMLIF-XKZIYDEJSA-N	500.507	4.256	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1	409048578	SFQIJRSNGDELQY-FYJGNVAPSA-N	549.967	4.431	10	40	KICB	
COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)Nc4cccc(C)c4)C3=O)c2C)c1	409103932	XNBQSVWVXMPPGS-YDZHTSKRSA-N	500.555	4.029	10	40	KICB	
COC(=O)COc1cc(Br)c(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1OC	409343223	DBUKTSKHIXTKGP-NGYBGAFCSA-N	538.397	4.144	10	40	KICB	
Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@@H](c1ccc(O)c(O)c1)[C@H](O)C2	150357802	MOJZMWJRUKIQGL-SILIRWGVSA-N	866.781	4.444	10	40	KICB	biogenic,in-vitro
COc1cc(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c1O	408723419	UGRPNEOJKGSBGM-VZUCSPMQSA-N	502.173	4.301	10	40	KICB	
O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1cc(Br)c(Br)o1	408949321	AYOWOPIYPASAHQ-BJMVGYQFSA-N	535.011	4.398	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCc1ccc(F)cc1	408950430	KFBDHRHSEGHUBA-QGMBQPNBSA-N	524.888	4.462	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)cc3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC	409057937	XAZWTVFGTWGZOU-SJJVXOANSA-N	552.096	4.451	10	40	KICB	
COc1cc(/C=C2\SC(=S)N(CCCCC(=O)O)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	12848182	MSYMJUVDHOZRKA-ZHZULCJRSA-N	521.638	4.227	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409040614	SZDTWNVSWQNGSV-XKNCUGLGSA-N	674.732	4.065	10	40	KICB	
O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(CC(=O)N2CCCCCC2)c2ccc(Br)cc12	409196547	VYGKCOXAIZAORT-BKUYFWCQSA-N	541.446	4.211	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(Br)c(Br)c1O	409235991	RAHQSPAEYDAJLV-XYOKQWHBSA-N	540.233	4.456	10	40	KICB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C	409273116	VNRRKWRBYROQIH-HZHRSRAPSA-N	543.576	4.395	10	40	KICB	
O=c1oc2ccc(Br)cc2cc1-c1csc(NS(=O)(=O)c2ccc3c(c2)OCCO3)n1	2616194	IVKHJYLFJVJXGF-UHFFFAOYSA-N	521.370	4.251	10	40	KICB	
Cc1cc(C(=O)[C@H](C)OC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(C)n1-c1ccc(OC(F)F)cc1	3278885	RLUOGFFXRNYQTA-KRWDZBQOSA-N	520.554	4.374	10	40	KICB	
CCOc1cc(/C=C2\C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc(Cl)c1OS(C)(=O)=O	6101725	NJJANUJSNYTNOS-FWDDTQSRSA-N	503.989	4.381	10	40	KICB	
C=C(Br)C(=O)Nc1ccc(S(=O)(=O)O)c(/N=N/[C@@H]2C(=O)N(c3cc(Cl)c(S(=O)(=O)O)cc3Cl)N=C2C)c1	95818074	LSMLYSMFJGHQSH-QDVZYSMTSA-N	655.292	4.209	10	40	KICB	
CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1Br	409049552	WKCDREGXNQWXMA-RIYZIHGNSA-N	524.165	4.285	10	40	KICB	
O=C1[C@@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1Br	100414719	KSAZRMOMQDSNSF-PCCBWWKXSA-N	502.320	4.144	10	40	KICB	
O=C1S/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Br)cc1	106725177	PYPDVHPKTIPFJN-UNOMPAQXSA-N	504.362	4.430	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Cc3ccccc3Br)C2=O)cc1	408866249	GNPYXDMNLPGEEC-RCCKNPSSSA-N	519.351	4.493	10	40	KICB	
COc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)NC1=S	409175217	XWKJJIKNSHJVSR-PTNGSMBKSA-N	528.340	4.457	10	40	KICB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C/c2cccc(OCC(=O)Nc3ccc(F)cc3)c2)C1=O	409364862	QTXIGXAZXVAXJS-MOSHPQCFSA-N	507.905	4.471	10	40	KICB	
CCOc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]23)cc1	13756912	FKKUCVYRYMGKQI-XPWALMASSA-N	501.922	4.434	10	40	KICB	
COc1ccc(N2CCN(C(=O)CN(c3ccc(OC)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1	59647142	QWLPVVDHWLHPRJ-UHFFFAOYSA-N	544.073	4.210	10	40	KICB	
COCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)SC1=S	101249737	KBLBASAMYHTNFI-JWGURIENSA-N	542.708	4.027	10	40	KICB	
CCOc1ccc(/C=C2\SC(=S)N(CC(=O)N3CCN(CCNC(=O)CN4C(=O)/C(=C/c5cccc(Br)c5)SC4=S)CC3)C2=O)cc1	150466955	FBBFOJYNCILNEY-MFYXSQMNSA-N	774.810	4.211	10	40	KICB	
Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)C(=O)NC2=S)c1	408767493	LISSFNQATFWNFM-KOEQRZSOSA-N	500.624	4.070	10	40	KICB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1	408805233	FCMFXCBLVNSNFH-FYJGNVAPSA-N	535.896	4.280	10	40	KICB	
COc1ccc(N2CCN(C(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(Br)cc3)CC2)cc1	409060933	AKVNZYMKOGEQEL-UHFFFAOYSA-N	572.525	4.040	10	40	KICB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	409064032	FVRLTGNHWBXIEQ-VCHYOVAHSA-N	563.371	4.142	10	40	KICB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1C	409258750	XMCLPXRQWSBYCZ-JAIQZWGSSA-N	594.418	4.464	10	40	KICB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1OC	409376607	BSOKNICFKCIFOT-UYRXBGFRSA-N	549.967	4.431	10	40	KICB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1	409409003	SMQAKBGYFWOHSG-ODLFYWEKSA-N	603.800	4.432	10	40	KICB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(C(=O)O)cc1	4083789	VEEXLHHVQZQLSS-RGVLZGJSSA-N	508.328	4.221	10	40	KICB	
COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCc1ccc2c(c1)OCO2	41078319	SZRRRMMVGHWZHQ-IIVOTLPQSA-N	512.316	4.216	10	40	KICB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c(C)c1	100858510	ICROHRFYGWHVEZ-CVHFWEDTSA-N	525.677	4.245	10	40	KICB	
COc1ccc(N2CCN(C(=O)c3cc(Br)cc(Br)c3OC)CC2)c([N+](=O)[O-])c1	106707754	LGSLUCDHBILSIG-UHFFFAOYSA-N	529.185	4.099	10	40	KICB	
CCCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1OCC	408815386	WNKAXNRHAPZZPZ-LFIBNONCSA-N	534.350	4.454	10	40	KICB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1	409078087	HMNOSQAGSAXECM-XSZPGNIMSA-N	584.536	4.416	10	40	KICB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(O)c(OCC)c3)C2=O)cc1OCC	409191192	DCWHVMMIHNAMCX-LICLKQGHSA-N	594.402	4.245	10	40	KICB	
Cc1cc(Br)ccc1NC(=O)COc1cccc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c1	409254796	ITILSNCBYDOJDD-WQRHYEAKSA-N	535.441	4.451	10	40	KICB	
Cc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O	409263325	KJQLKURAPANAEM-ZHZULCJRSA-N	505.983	4.497	10	40	KICB