smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COc1ccccc1/C=C1/SC(Nc2cccc(Cl)c2)=NC1=O	1311936	GQNDQZHKHQVHSS-OQLLNIDSSA-N	344.823	4.431	10	40	EICB	
Cc1cc(CNCc2ccc(Br)s2)ccc1N(C)C	76020650	OGHRTYRCMIMZCB-UHFFFAOYSA-N	339.302	4.175	10	40	EICB	
CCCc1cc(=O)oc2c(CN3CCC[C@@H](C)C3)c(O)c(Cl)cc12	20331324	KMDXXIVEURXOTI-GFCCVEGCSA-N	349.858	4.336	10	40	EICB	
O=C1OC(c2ccc3c(c2)CCCC3)=C/C1=C\c1ccc2c(c1)OCO2	1668922	MILICAYSCQCUOE-GIJQJNRQSA-N	346.382	4.275	10	40	EICB	
CN(C)c1ccc(CN[C@H](C(=O)c2ccccc2)c2ccccc2)cc1	31961978	ZNVZKCJRGBXGHI-QFIPXVFZSA-N	344.458	4.466	10	40	EICB	
CN(Cc1ccccc1O)C(=O)c1ccccc1Nc1ccccc1	42117894	HADXOAKZTONVSL-UHFFFAOYSA-N	332.403	4.408	10	40	EICB	
CCN1c2ccc(/C=C3/SC(=S)NC3=O)cc2[C@@H](C)CC1(C)C	223532258	OUSXHOMNUZRQGX-ZRRZQRFHSA-N	346.521	4.288	10	40	EICB	
COc1ccc(OC)c2c(/C=C\c3ccc(N(C)C)cc3)ccnc12	4774616	BXTQTAIINSWRAT-YVMONPNESA-N	334.419	4.488	10	40	EICB	
CCCCN1C(=O)/C(=C/c2c[nH]nc2-c2ccccc2)SC1=S	4993524	HILLWIYWTLOSRJ-UVTDQMKNSA-N	343.477	4.078	10	40	EICB	aggregator
Cc1ccc(CN2C(=O)/C(=C/c3ccccc3)SC2=S)cc1	16292366	IXKBZERJJJWKJP-WJDWOHSUSA-N	325.458	4.396	10	40	EICB	
CCN(CC)c1ccc(CNc2ccc(OC)cc2)cc1[N+](=O)[O-]	226241519	CYQVIJCKCKJKKM-UHFFFAOYSA-N	329.400	4.062	10	40	EICB	
CCN1c2ccc(/C=C3/SC(=O)N(C)C3=O)cc2C(C)=CC1(C)C	208505052	FRMAYOBNNCOSQI-MHWRWJLKSA-N	342.464	4.375	10	40	EICB	
CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\Nc1ccccc1	408537006	YTRGQYSFJVLEOO-WJDWOHSUSA-N	325.799	4.367	10	40	EICB	
CC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2	4619124	AVXVXNKSLRNVSY-ZWOKBUDYSA-N	349.390	4.380	10	40	EICB	
O=C(O)c1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@@H](c1ccccn1)N2	4168295	UOOMRAKLNOZSDI-USBNGQNGSA-N	326.783	4.260	10	40	EICB	
Cc1ccnc(N[C@H](c2cccnc2)c2ccc3cccnc3c2O)c1	19842966	HXTSBGQMUPMIAB-LJQANCHMSA-N	342.402	4.240	10	40	EICB	
O=C1/C(=C\c2ccco2)N=C(c2ccccc2)N1c1ccc(F)cc1	408764058	VVHPMEISDDKCLY-QGOAFFKASA-N	332.334	4.253	10	40	EICB	
COc1ccc2ccccc2c1[C@@H]1NN=C(c2ccccc2O)S1	3132091	AFGSUGYUMCRAAS-LJQANCHMSA-N	336.416	4.251	10	40	EICB	
O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(Cl)cc1	13612436	CLYJFIXUVZYLLY-UHFFFAOYSA-N	328.843	4.260	10	40	EICB	
CCc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(C)C3=O)c2C)cc1	408752446	AQJJNAZMDFIPPE-GZTJUZNOSA-N	340.448	4.323	10	40	EICB	
Cc1ccc([C@@H]2CC(c3ccccc3O)=NN2C(=O)c2ccco2)cc1	4942487	USFYBSWUKOXCMI-SFHVURJKSA-N	346.386	4.285	10	40	EICB	
c1cc(C2OCCO2)ccc1/N=N/c1ccc(C2OCCO2)cc1	202108799	NIYUAXXLRSARKX-FMQUCBEESA-N	326.352	4.193	10	40	EICB	
Cc1ccc(C2=C/C(=C3/C=C(c4ccc(C)cc4)OC3=O)C(=O)O2)cc1	408725424	OWIYLWVXVBSSRG-ISLYRVAYSA-N	344.366	4.096	10	40	EICB	
COc1ccc(C2=C/C(=C/c3ccccc3Cl)C(=O)O2)cc1OC	298558	LQIXNZSBHVRAGK-ZROIWOOFSA-N	342.778	4.339	10	40	EICB	
CCOC(=O)c1sc2nc(CC(C)C)c3c(c2c1N)CCCC3	545710	NDKKOLUGUTZUOU-UHFFFAOYSA-N	332.469	4.133	10	40	EICB	
CCN1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC1=S	1170650	XXSMXVOYVYAUQZ-ZROIWOOFSA-N	333.409	4.307	10	40	EICB	
CC[C@H](NCc1c(C)noc1C)c1cc(Br)ccc1O	92329031	QNTBFEUKAZHLNK-AWEZNQCLSA-N	339.233	4.000	10	40	EICB	
O=C1c2ccccc2C(=O)c2c1c(N1CCCCC1)cc1cccnc21	5022020	VEBVETAWDAOMDX-UHFFFAOYSA-N	342.398	4.001	10	40	EICB	
O=C(O)c1ccc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@H]3C=CC[C@H]32)cc1	6971465	OXUFAGYAPAHUMX-VBQJREDUSA-N	336.347	4.120	10	40	EICB	
COc1cccc(/C=C2\SC(Nc3cccc(C)c3C)=NC2=O)c1	449844	JIQLURWFNALRDH-BOPFTXTBSA-N	338.432	4.394	10	40	EICB	
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-]	8556259	RAFPITJPDDTFLH-GDNBJRDFSA-N	341.754	4.054	10	40	EICB	
O=C1/C(=C/N2CCCc3ccccc32)SC(=S)N1C1CCCC1	8992213	NXJKDFLSFGYVRU-VBKFSLOCSA-N	344.505	4.084	10	40	EICB	
COc1ccccc1N/C=C1/C(=O)N(c2ccc(C)cc2C)N=C1C	100507700	KPLOQJZRMKBOPZ-FOWTUZBSSA-N	335.407	4.031	10	40	EICB	
COc1ccc(OC)c(/N=N\c2c(C)nc(N)nc2-c2ccccc2)c1	104121116	MTSDLGOIBDIAGH-VHXPQNKSSA-N	349.394	4.467	10	40	EICB	
O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1cccnc1)N2	409157289	IDSSJBQQJJBDBJ-WQGACYEGSA-N	327.771	4.470	10	40	EICB	
O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccccn1)N2	4623398	UWMDMCQMWLCEGN-GDLVEWKHSA-N	327.771	4.470	10	40	EICB	
COc1ccc2cc(C3=C/C(=C/c4cccnc4)C(=O)O3)ccc2c1	408723074	QDNDWZJIKDKNOS-NVMNQCDNSA-N	329.355	4.225	10	40	EICB	
Oc1cccc([C@H](Nc2nccs2)c2ccc3cccnc3c2O)c1	1094854	UUVFMWBOSPFVIZ-INIZCTEOSA-N	349.415	4.304	10	40	EICB	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccccc2)cc1	6804304	GERUUXVUVLXJPU-UHFFFAOYSA-N	334.419	4.188	10	40	EICB	
Cc1nc(-c2ccccc2)ccc1C(=O)NCc1ccc(N(C)C)cc1	12610061	KHJDPGXXWPECRY-UHFFFAOYSA-N	345.446	4.053	10	40	EICB	
O=C(O)CCc1ccc(-c2ccc(F)cc2)n1-c1ccc(O)cc1	94933	FMTIQFQJUOWKGQ-UHFFFAOYSA-N	325.339	4.006	10	40	EICB	
C[C@H]1CCC[C@]1(O)CNCc1ccc(N(C)Cc2cccs2)cc1	1651134289	VFUZLWMLOUXJTG-JXFKEZNVSA-N	344.524	4.025	10	40	EICB	
O=C(NCc1ccccc1O)c1ccc2noc(-c3ccccc3)c2c1	84559944	JMRNNFQLRWYXBB-UHFFFAOYSA-N	344.370	4.130	10	40	EICB	
O=[N+]([O-])c1ccc([C@@H]2Nc3cc([N+](=O)[O-])ccc3[C@@H]3C=CC[C@@H]32)cc1	247374325	HVSGYSDFVTWWQQ-ZVZYQTTQSA-N	337.335	4.330	10	40	EICB	
CC1CCN(C2=NC(=O)/C(=C/c3c(F)cccc3Cl)S2)CC1	9188873	QPPSCKPPCFICPV-ZROIWOOFSA-N	338.835	4.181	10	40	EICB	
CN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccc2ccccc2c1	12609868	HDQHBCRSFPZWLY-UHFFFAOYSA-N	332.447	4.107	10	40	EICB	
C[C@@H]1C[C@@H]1C(=O)OCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1	18037462	WYWKLODTCMKACH-YZEVEECVSA-N	337.379	4.240	10	40	EICB	
Cc1ccc(N2C(=O)/C(=C/c3ccncc3)SC2=S)c(C)c1	1245914	DROQMFXBDAVZOH-GDNBJRDFSA-N	326.446	4.104	10	40	EICB	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cc2ccccc2[nH]1	48332966	RGILIJDVUBZZHJ-UHFFFAOYSA-N	335.451	4.285	10	40	EICB	
O=C1N=C(Nc2ccccc2)S/C1=C/C1=Cc2ccccc2OC1	84553331	WKPBCHVACLUJAM-GZTJUZNOSA-N	334.400	4.088	10	40	EICB	
O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1c1cccc(O)c1	19618056	KNVAMNQSXKKLER-MAHQCVNESA-N	339.441	4.354	10	40	EICB	
CCCC[C@H](CC)CN1C(=O)/C(=C\c2ccncc2)SC1=S	5694878	DIGSBNOZLNNDAQ-JMRXEAOASA-N	334.510	4.499	10	40	EICB	
CCc1ccc(N2C(=O)/C(=C\c3cccc(O)c3)SC2=S)cc1	35038795	RKAPYTLZZZPMGP-LFIBNONCSA-N	341.457	4.360	10	40	EICB	
CCCC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc2c(c1)OCO2	100320506	OWRGMZXXZJDRIQ-LFIBNONCSA-N	334.375	4.002	10	40	EICB	
COc1ccccc1N1C(=O)/C(=C/c2cccs2)SC1=S	969642	WGJDFDQTAIOZGL-LCYFTJDESA-N	333.459	4.163	10	40	EICB	
O=C1/C(=C/Nc2ccccc2)SC(=S)N1CCc1ccccc1	101937171	QZCBMBIICRSACR-SSZFMOIBSA-N	340.473	4.043	10	40	EICB	
CCCCN/C(C)=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1	112111546	YVZXNNRHHPUXNL-MNDPQUGUSA-N	333.435	4.101	10	40	EICB	
Cc1ccc(NC(=S)NCCCN2CCc3ccccc32)c(C)c1	225558468	OTOWXPGJTSQQBA-UHFFFAOYSA-N	339.508	4.043	10	40	EICB	
O=C1N=C(Nc2ccc3ccccc3c2)S/C1=C\c1cccnc1	8436718	LFSLWUSJQFKPLZ-YVLHZVERSA-N	331.400	4.317	10	40	EICB	
Oc1ccc2ccccc2c1CN1CCN(c2ccc(F)cc2)CC1	23295819	SVWGFIKZAMBLOZ-UHFFFAOYSA-N	336.410	4.007	10	40	EICB	
O=C1/C(=C/c2cccnc2)SC(=S)N1c1ccccc1Cl	2392914	AGIHFTJXZRZZCC-JYRVWZFOSA-N	332.837	4.141	10	40	EICB	
Cc1cccc2nc(-c3ccco3)c(Nc3ccc4c(c3)OCCO4)n12	3909773	PPRHUTHYAVJGDO-UHFFFAOYSA-N	347.374	4.418	10	40	EICB	
Oc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccnc2)cc1	102907372	AHDDVDGOWZWOFF-PZJWPPBQSA-N	343.386	4.030	10	40	EICB	
[O-][n+]1cc(/N=N\c2ccc(Cl)cc2)nn1-c1ccc(Cl)cc1	103836171	PRYSPQGVALJZFT-ZCXUNETKSA-N	334.166	4.228	10	40	EICB	
COc1cccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c1	16227933	XUAYCRBBZLWCOG-PTNGSMBKSA-N	333.478	4.229	10	40	EICB	
CC(=O)c1ccc(N2C(=O)/C(=C\c3ccccc3)SC2=S)cc1	35038672	AHQBKYYVRUHIND-LFIBNONCSA-N	339.441	4.295	10	40	EICB	
O=C1/C(=C/Nc2ccccc2)SC(=S)N1c1ccc(F)cc1	1442620	OQHOZFFEVCMYPS-UVTDQMKNSA-N	330.409	4.144	10	40	EICB	
Cc1ccc(C)c(N2C(=O)/C(=C/c3ccccc3O)SC2=S)c1	5371195	NOHOKPJALVBYMD-YBEGLDIGSA-N	341.457	4.415	10	40	EICB	
Cc1ccc(C)c(N2C(=O)/C(=C\c3cccn3C)SC2=S)c1	5371640	QOUOBLKLNDHEPG-XNTDXEJSSA-N	328.462	4.048	10	40	EICB	
CCn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccccc1	7124917	XOGKGCPHZNIJSB-UHFFFAOYSA-N	337.448	4.301	10	40	EICB	
Cc1ccc(COc2ccccc2/C=C2\SC(=S)NC2=O)cc1	15055777	DZFGYKHJPFXPBH-YBEGLDIGSA-N	341.457	4.063	10	40	EICB	
COc1ccc(OC)c(/C=C2\C=C(c3ccc(C)c(C)c3)OC2=O)c1	33301699	DVNQZUCAWZNXTA-LICLKQGHSA-N	336.387	4.302	10	40	EICB	
CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1cccc2ccccc12	408933931	CETPXWZENUOODM-XSFVSMFZSA-N	340.382	4.282	10	40	EICB	
CC(C)c1ccc(/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)cc1	1452458	AENIMYBLSXSYQQ-VGVSSDJJSA-N	347.505	4.190	10	40	EICB	
O=C(c1cccs1)N1N=C(c2ccc(O)cc2)C[C@@H]1c1ccccc1	13123115	QWMMCZJIYDUMIN-GOSISDBHSA-N	348.427	4.445	10	40	EICB	
CCOC(=O)[C@H](C)n1c(C)ccc1-c1ccc(Br)cc1	95951477	BSRWIQUCMFFHHN-LBPRGKRZSA-N	336.229	4.350	10	40	EICB	
Cc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCCC3)cc2)nc1	225696943	JIDXAAFTBOMMLD-OAHLLOKOSA-N	340.496	4.038	10	40	EICB	
O=C1/C(=C/c2ccccc2F)SC(=S)N1c1cccc(F)c1	5172439	FPBCSOBEYOMPQZ-ZSOIEALJSA-N	333.384	4.371	10	40	EICB	
CC(C)NCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12	5493360	QXNCBKQFKXJKGD-UHFFFAOYSA-N	338.411	4.096	10	40	EICB	
Cc1ccc(N2C(=O)/C(=C\c3ccccn3)SC2=S)cc1C	5234133	IQVMRVLQIZVCHR-XNTDXEJSSA-N	326.446	4.104	10	40	EICB	
C[C@@H]1C[C@@H]1C(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12	10910252	XRESISWWGXCJAW-IBZMOEQTSA-N	331.415	4.407	10	40	EICB	
COc1cccc(/C=C2\SC(Nc3ccc(Cl)cc3)=NC2=O)c1	12032310	CHIGLDYXKWLMPQ-GDNBJRDFSA-N	344.823	4.431	10	40	EICB	
Oc1ccc(Br)cc1CNCc1ccccc1Cl	40477072	ZNEQUURDSZJINC-UHFFFAOYSA-N	326.621	4.098	10	40	EICB	
CCOc1ccc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)cc1	2810373	VMDWTPWXLPBSDS-XNTDXEJSSA-N	345.445	4.080	10	40	EICB	
O=C1OC(c2ccccc2)=C/C1=C\c1cccc(Br)c1	409050824	APDSCWNGYUEEJJ-NTEUORMPSA-N	327.177	4.430	10	40	EICB	
CCCCN1C(=O)S/C(=C\c2ccc(N3CCCC3)c(C)c2)C1=O	409060365	RBDSLJSHYQSRKD-LGMDPLHJSA-N	344.480	4.432	10	40	EICB	
COc1cc(OC)c(C2Nc3cccc4cccc(c34)N2)cc1OC	308284	SSDJUGVCJCGFBB-UHFFFAOYSA-N	336.391	4.402	10	40	EICB	
COc1cccc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)c1OC	1686896	BFTLGNIWJAEJJR-GXDHUFHOSA-N	342.778	4.339	10	40	EICB	
O=C1/C(=C/c2cccc(F)c2)SC(=S)N1CNc1ccccc1	3023853	GQHBTSIEOWHLNI-GDNBJRDFSA-N	344.436	4.097	10	40	EICB	
COc1ccc([C@H](c2ccc3cccnc3c2O)N2CCCC2)cc1	4178941	AXDPHPBMRZQULH-HXUWFJFHSA-N	334.419	4.134	10	40	EICB	
CCOC(=O)c1sc2nc(-c3ccco3)c3c(c2c1N)CCCC3	4805604	MKRXIFNNZQUUTM-UHFFFAOYSA-N	342.420	4.194	10	40	EICB	
C[C@@H](NC(=S)Nc1ccccc1)c1ccc(N2CCCC2)cc1	225692786	ZEWSHFQGSQQSFS-OAHLLOKOSA-N	325.481	4.334	10	40	EICB	
COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cccc2ccccc12	408794797	JFVCBTMPYAUXFL-UNOMPAQXSA-N	349.430	4.168	10	40	EICB	
Cc1cc(C)c(-n2c(C)cc(/C=C3/SC(=N)NC3=O)c2C)c(C)c1	4749725	PUMDFRSAEGUPJL-CXUHLZMHSA-N	339.464	4.158	10	40	EICB	
CCN(CC)CCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12	5649914	KQXNZWRSJOPJHO-UHFFFAOYSA-N	338.411	4.050	10	40	EICB	
Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1cccc(Cl)c1	13881012	VILDIWRIHMNTOA-NVNXTCNLSA-N	346.839	4.414	10	40	EICB	
Cn1c(-c2ccc(F)cc2)cnc1NCc1cc(Cl)ccc1O	4678624	CPKOWZWXHYXOQG-UHFFFAOYSA-N	331.778	4.197	10	40	EICB	
O=C1c2ccccc2N[C@@H](c2ccccc2O)N1CCc1ccccc1	57945736	IAFYUPMSKNBHGC-OAQYLSRUSA-N	344.414	4.201	10	40	EICB	
CCN(CCNC(=S)Nc1ccc(F)cc1F)c1ccc(C)cc1	225793368	ZHPYEFWVJSGVML-UHFFFAOYSA-N	349.450	4.086	10	40	EICB	
CCOC(=O)C1=CS/C(=C/C(=S)c2ccc(OC)cc2)S1	382850	HUGHRCWQVBHRIB-ZSOIEALJSA-N	338.475	4.139	10	40	EICB	
O=C1OC(c2ccc3c(c2)CCCC3)=C/C1=C/c1ccc2c(c1)OCO2	1668923	MILICAYSCQCUOE-NVMNQCDNSA-N	346.382	4.275	10	40	EICB	
O=C1/C(=C/c2ccccc2O)SC(=S)N1c1ccc(Cl)cc1	9188511	YFSHQPOFKHHBLF-ZROIWOOFSA-N	347.848	4.451	10	40	EICB	
CCCCN1/C(=C2/SC(=S)N(C)C2=O)Sc2ccccc21	83329924	HUDHRGLYEWGVIR-OWBHPGMISA-N	336.507	4.058	10	40	EICB	
Nc1ccc(OCCCC(F)(F)C(F)(F)Br)cc1	1083811720	HULGKVPEBHDVIR-UHFFFAOYSA-N	330.119	4.051	10	40	EICB	
CC(C)(C)NCc1ccc2c(O)c(CNC(C)(C)C)ccc2c1O	1775972215	OTQWDJJJNKMWIR-UHFFFAOYSA-N	330.472	4.027	10	40	EICB	
Cc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1	3895640	LJHGGSPAUGMTOJ-UHFFFAOYSA-N	341.366	4.023	10	40	EICB	
CCOc1ccc(/C=C2/SC(Nc3ccc(F)cc3)=NC2=O)cc1	6554292	AAYXEWJLWJMMMV-LFIBNONCSA-N	342.395	4.307	10	40	EICB	
CCc1ccccc1N1C(=O)/C(=C\c2cccnc2)SC1=S	35041495	DZBSQQCRMDIFSU-XNTDXEJSSA-N	326.446	4.050	10	40	EICB	
CC[C@@H](NCc1c(C)noc1C)c1cc(Br)ccc1O	92329033	QNTBFEUKAZHLNK-CQSZACIVSA-N	339.233	4.000	10	40	EICB	
Cc1ccnc(N[C@@H](c2cccnc2)c2ccc3cccnc3c2O)c1	19842965	HXTSBGQMUPMIAB-IBGZPJMESA-N	342.402	4.240	10	40	EICB	
COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccccc1	408768730	JZRUQWRAJNVTKJ-UYRXBGFRSA-N	347.414	4.181	10	40	EICB	
O=C1N=C(Nc2ccccc2Cl)S/C1=C\c1ccc(O)cc1	6227141	ZRYHAXCSONNMSH-ZROIWOOFSA-N	330.796	4.128	10	40	EICB	
COC(=O)c1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@@H](c1cccnc1)N2	4623405	QOJLCDHPSFFGKY-OGHNNQOOSA-N	340.810	4.348	10	40	EICB	
O=C1/C(=C/c2cccc([N+](=O)[O-])c2)SC(=S)N1C1CCCCC1	13616059	NHEVVFUDOKANCZ-UVTDQMKNSA-N	348.449	4.129	10	40	EICB	
CCCC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1cccs1	36617169	IEXBGKDSFLOAAP-RVDMUPIBSA-N	340.404	4.033	10	40	EICB	
Cc1ccc(C)n1-c1ccc(C(=O)Nc2cccc3c2OCCO3)cc1	89652270	HVZDRFXBLBOBIC-UHFFFAOYSA-N	348.402	4.118	10	40	EICB	
O=C(c1ccco1)N1N=C(c2ccsc2)C[C@@H]1c1ccccc1O	89813399	CEHVBMAWLKTEPK-OAHLLOKOSA-N	338.388	4.038	10	40	EICB	
CCC(=O)N[C@H](c1cccs1)c1cc(Cl)c2cccnc2c1O	319168	YTYAAHOPRAVKJV-HNNXBMFYSA-N	346.839	4.271	10	40	EICB	
Cc1ccc(C2=N/C(=C/c3ccco3)C(=O)N2c2ccc(O)cc2)cc1	408766919	WXHYXTBICAOKEQ-CPNJWEJPSA-N	344.370	4.128	10	40	EICB	
CC[C@H]1CCCCN1Cc1c(O)ccc2c1oc(=O)c1ccccc12	45110	DLZWDJYQYWBOLU-AWEZNQCLSA-N	337.419	4.416	10	40	EICB	
Fc1ccccc1NC(=S)NCc1ccc(N2CCCCC2)cc1	225416157	AGQVZZLKTAOAIH-UHFFFAOYSA-N	343.471	4.303	10	40	EICB	
COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1sccc1C	408896743	ZTFNLHXODBPTRW-PTNGSMBKSA-N	345.464	4.062	10	40	EICB	
O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCO1	6225873	SGHVFRHJRACAPU-INIZCTEOSA-N	333.815	4.005	10	40	EICB	
CN(Cc1ccc(N(C)C)cc1)C(=O)CCCc1c[nH]c2ccccc12	8780115	WADHNDCBDYJISM-UHFFFAOYSA-N	349.478	4.215	10	40	EICB	
CCOC(=O)c1c(NCc2ccccc2O)sc2c1CCCC2	266420	QOKWXMPQPRXQGM-UHFFFAOYSA-N	331.437	4.121	10	40	EICB	
Cc1ccc(C(=O)O)c2c1N[C@H](c1ccccc1C(=O)O)[C@@H]1CC=C[C@@H]21	409151432	BIMXXFCRUQIDSI-VPZZIHKRSA-N	349.386	4.218	10	40	EICB	
Cc1ccc(-c2ccc(/C=C3/SC(N4CCCC4)=NC3=O)o2)cc1	541434	UGOGEROTZKZLSI-SFQUDFHCSA-N	338.432	4.321	10	40	EICB	
Cn1c(-c2ccccc2)cnc1SCC(=O)c1ccc(F)cc1	5263706	COZQUGNQCHKHCD-UHFFFAOYSA-N	326.396	4.201	10	40	EICB	
COc1ccc(N2CCO[C@H]2c2ccn(-c3ccccc3F)c2)cc1	216726695	WIUSJWTVJRWABD-FQEVSTJZSA-N	338.382	4.160	10	40	EICB	
Cc1cc(COC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)no1	10196032	DTOQAMMRERRTSN-UHFFFAOYSA-N	344.798	4.401	10	40	EICB	
Cc1ccc(-n2c(C)cc(/C=C3/SC(=O)NC3=O)c2C)cc1C	1053752	LBILVRNXTYBUGB-CXUHLZMHSA-N	326.421	4.035	10	40	EICB	
Cc1ccc(C[C@H]2SC(=S)N(c3ccccc3)C2=O)cc1C	3416184	HDWKANVNGASVDD-MRXNPFEDSA-N	327.474	4.279	10	40	EICB	
CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(C(=O)O)cc1)N2	4140546	NXZMPSFMEMOYEX-ZWOKBUDYSA-N	333.387	4.414	10	40	EICB	
O=C(Cc1ccc2c(c1)CCCC2)NCc1ccc(N2CCCC2)cc1	58378206	QPBHYVRMVGMMHN-UHFFFAOYSA-N	348.490	4.025	10	40	EICB	
COc1ccc(N(C)Cc2nnc(-c3cccc(Cl)c3)o2)cc1F	121745319	ROYBSENYTFOBKW-UHFFFAOYSA-N	347.777	4.174	10	40	EICB	
Cc1ccc(N2C(=O)/C(=C/c3ccncc3)SC2=S)cc1C	13284512	OUPIOBYVPCHIEQ-GDNBJRDFSA-N	326.446	4.104	10	40	EICB	
CCN(CC)c1ccc(CNC(=O)c2ccc3c(c2)CCCC3)cc1	225636371	TVAQFKGISFKSPT-UHFFFAOYSA-N	336.479	4.342	10	40	EICB	
COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1cccnc1)N2	802457	QOJLCDHPSFFGKY-IGCXYCKISA-N	340.810	4.348	10	40	EICB	
CC(C)(C)c1cc(/C=C2/SC(=S)NC2=O)cc(C(C)(C)C)c1O	1436900	WBDPSYDYYOULLK-UKTHLTGXSA-N	349.521	4.476	10	40	EICB	
CCCCc1ccc(NC2=NC(=O)/C(=C/c3ccc[nH]3)S2)cc1	6569833	TXDKHMQPNZUKOV-VBKFSLOCSA-N	325.437	4.440	10	40	EICB	
Cc1cccc(C2=N/C(=C/c3ccco3)C(=O)N2c2ccccc2)c1	408754792	RTQKKWJIAHWQAZ-XMHGGMMESA-N	328.371	4.423	10	40	EICB	
CCCOC(=O)c1cccc(/N=N/c2cc(C)c(O)c(C(=O)O)c2)c1	70462724	OGYKARRZZSHHSK-FMQUCBEESA-N	342.351	4.381	10	40	EICB	
Cc1cc(NC(=O)C2=S=C3CCCC3=C2)ccc1-c1ccncc1	553221083	KYAMRHKRCXFFDF-UHFFFAOYSA-N	334.444	4.197	10	40	EICB	
Cc1cccc(N2C(=O)/C(=C/c3cccnc3)SC2=S)c1C	1804129	UAQSMYZCVPWHRV-DHDCSXOGSA-N	326.446	4.104	10	40	EICB	
CN(C)c1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1	5797891	DTMYRAOASHMAAV-HXUWFJFHSA-N	347.418	4.112	10	40	EICB	
CN(Cc1ccc(N2CCCCC2)cc1)c1ncnc2sccc12	8162400	XIGFJGUMRAERAV-UHFFFAOYSA-N	338.480	4.318	10	40	EICB	
Cc1c(Cl)c(O)c(Cl)c(C)c1NS(=O)(=O)c1ccccc1	3471612	CLJKYUFEWILLMO-UHFFFAOYSA-N	346.235	4.117	10	40	EICB	
Cc1cccc2oc3cc(O)c4c(c3c12)C(=O)c1ccccc1C4=O	15109887	IQULIHQTQQBXAN-UHFFFAOYSA-N	328.323	4.375	10	40	EICB	
Cc1ccccc1NC1=NC(=O)/C(=C/c2cc(C)c(O)c(C)c2)S1	32789308	VIDYZYADFZYPLN-YBEGLDIGSA-N	338.432	4.400	10	40	EICB	
Cc1c2ccccc2c(/C=C2/C(=O)NC(=S)N=C2O)c2ccccc12	39557476	SHGKFCUMBOGCCA-UHFFFAOYSA-N	346.411	4.056	10	40	EICB	
CCc1ccccc1N/C(C)=C1\C(=O)N(c2ccc(OC)cc2)N=C1C	112114243	JKUCCESKMQDAAN-ZHZULCJRSA-N	349.434	4.366	10	40	EICB	
CC1CCN(C(=S)c2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1	10387165	GTXKCBVNHJGBJO-UHFFFAOYSA-N	330.409	4.262	10	40	EICB	
Cc1ccc(C)n1N1C(=O)/C(=C\c2ccccc2Cl)SC1=S	409194904	FHQSLSGWUBTVEU-NTEUORMPSA-N	348.880	4.296	10	40	EICB	
OC[C@@H](Cc1ccccc1)Nc1c2ccccc2nc2ccccc12	3892257	YQERUHCZCMOPQN-QGZVFWFLSA-N	328.415	4.404	10	40	EICB	
C=CCn1cc(/C=C2\SC(=S)N(CC)C2=O)c2ccccc21	6205508	FBIZPHCSILDBGX-GDNBJRDFSA-N	328.462	4.048	10	40	EICB	
Nc1nn2cc3c(nc2c1/N=N/c1ccc(Cl)cc1)CCCC3	16958954	YWFWOTPKUMBXJM-QZQOTICOSA-N	326.791	4.259	10	40	EICB	
CCCCOc1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)cc1	26770669	FMFCUKOLCOUSFY-VKAVYKQESA-N	344.480	4.322	10	40	EICB	
Cc1ccc(N2C(=O)N=C(O)/C(=C\c3cccs3)C2=O)cc1Cl	8768676	QGIQCZMETRYSSY-XYOKQWHBSA-N	346.795	4.217	10	40	EICB	
O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc2c(c1)CCCC2	225629021	JIQLISIGFRUMOE-UHFFFAOYSA-N	348.490	4.486	10	40	EICB	
Oc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccnc2)cc1	102907374	AHDDVDGOWZWOFF-TZIWHRDSSA-N	343.386	4.030	10	40	EICB	
Cc1cc(CNCc2cccnc2)c(C)n1-c1ccc(Cl)cc1	17310107	BAIIVOAYIXVHJW-UHFFFAOYSA-N	325.843	4.432	10	40	EICB	
Cc1ccc(N2C(=O)/C(=C/Nc3ccccc3F)SC2=S)cc1	618255169	QFLYYJJVLXTSSV-GDNBJRDFSA-N	344.436	4.452	10	40	EICB	
COc1cccc(N2C(=O)/C(=C/C=C/c3ccco3)SC2=S)c1	2452155	YCEYYERGUKZCSY-RNEAAXAUSA-N	343.429	4.250	10	40	EICB	
O=[N+]([O-])c1cccc([C@H]2Nc3c(cccc3[N+](=O)[O-])[C@H]3C=CC[C@H]32)c1	4456014	LTMGPJMANGFVQM-JJRVBVJISA-N	337.335	4.330	10	40	EICB	
COc1ccc(N2C(=O)/C(=C\c3cccc(F)c3)SC2=S)cc1	5170473	WPGQMJYDLWIYTN-XNTDXEJSSA-N	345.420	4.240	10	40	EICB	
Cc1cccc(NS(=O)(=O)c2ccc(-n3c(C)ccc3C)cc2)c1	58850355	UQPZJZUKKQIVBX-UHFFFAOYSA-N	340.448	4.203	10	40	EICB	
O=C1/C(=C/c2nc3ccccc3[nH]2)SC(=S)N1C1CCCCC1	1133220	HMZGZVCPHQMBIF-UVTDQMKNSA-N	343.477	4.097	10	40	EICB	
Cn1cccc1/C=C1/SC(=S)N(c2cccc(Cl)c2)C1=O	2413467	SKHBWDKATKDXDQ-UKTHLTGXSA-N	334.853	4.084	10	40	EICB	
O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccccc1	13476478	NQIBXBASJXCFSZ-GXDHUFHOSA-N	342.401	4.001	10	40	EICB	
Cc1cc(-n2c(C)cc(/C=C/C(=O)N(C)c3ccccc3)c2C)no1	15628921	NCHAHQFYDWIIOU-ZHACJKMWSA-N	335.407	4.067	10	40	EICB	
Cc1ccc(O)c(CN(CCCn2ccnc2)Cc2ccccc2C)c1	36740163	KWVAHXQYCJVZAF-UHFFFAOYSA-N	349.478	4.298	10	40	EICB	
Oc1c([C@@H](Nc2ncccn2)c2ccc(F)cc2)ccc2cccnc12	86092	LYEBONJOTDUHOF-KRWDZBQOSA-N	346.365	4.071	10	40	EICB	
CCc1ccccc1-n1c(C)cc(/C=C2\SC(=O)N(C)C2=O)c1C	33316819	YGCAMPHEOLKUHR-BOPFTXTBSA-N	340.448	4.323	10	40	EICB	
N=c1[nH]n2cc3c(nc2c1/N=N\c1ccc(Cl)cc1)CCCC3	104317826	YWFWOTPKUMBXJM-MRCUWXFGSA-N	326.791	4.089	10	40	EICB	
C[C@H](NC(=O)Cc1ccccc1F)c1ccc(N2CCCCC2)cc1	225448977	GEYIHXCHIWICEG-INIZCTEOSA-N	340.442	4.236	10	40	EICB	
Oc1ccccc1[C@@H](Nc1nccs1)c1ccc2cccnc2c1O	67169	VMIMNLFMPPMDIV-QGZVFWFLSA-N	349.415	4.304	10	40	EICB	
Cc1cccc(COc2cccc(/C=C3\SC(=S)NC3=O)c2)c1	13899570	PZRKFHROQASFGL-YBEGLDIGSA-N	341.457	4.063	10	40	EICB	
COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccncc1)N2	6950371	FFWSBZAYRWJHGG-XNJGSVPQSA-N	340.810	4.348	10	40	EICB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3/SC(=O)N(C)C3=O)cc21	208454869	QPBSETPBEHVPRW-CXUHLZMHSA-N	342.464	4.293	10	40	EICB	
CCN1C(=O)/C(=C/c2cccn2-c2ccc(C)cc2C)SC1=S	409377698	KNGAEDCOWOFKOB-WJDWOHSUSA-N	342.489	4.315	10	40	EICB	
CCN(CC)c1ccc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)cc1	315755	KTPMFHCBVYQNGN-AQTBWJFISA-N	338.382	4.016	10	40	EICB	
Cc1ccc([C@@H]2N=C(O)c3c(sc4c3CC[C@H](C)C4)N2)c(O)c1	6426360	PTUFJQVHTKXFLN-MGPLVRAMSA-N	328.437	4.316	10	40	EICB	
CCc1ccccc1NC1=NC(=O)/C(=C\c2ccc(F)cc2)S1	35043296	RKXYGTZHHAKHHK-LFIBNONCSA-N	326.396	4.471	10	40	EICB	
CCN(CC)c1ccc([C@H]2C=C(c3ccccc3)Nc3ncnn32)cc1	103450717	NFQSMPTYVQSMHU-HXUWFJFHSA-N	345.450	4.180	10	40	EICB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(O)ccc2ccccc12	103693454	QCNQZKOJEAOELK-QGOAFFKASA-N	328.371	4.352	10	40	EICB	
Cc1ccc(N2C(=O)S/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1	1198492	DEMFDSUOHMJNBD-ATVHPVEESA-N	338.432	4.302	10	40	EICB	
CCOc1ccccc1N/C(C)=C1\C(=O)N(c2ccccc2)N=C1C	112112119	IFCUIUFIFIWACZ-RGEXLXHISA-N	335.407	4.194	10	40	EICB	
CC(C)c1ccc2c(N)c(C(=O)Oc3ccc(F)cc3F)sc2n1	215681636	PNSMCROOKVWMLT-UHFFFAOYSA-N	348.374	4.499	10	40	EICB	
CC[C@@H]1CCCCN1Cc1cc2c(C)c(C)c(=O)oc2c(C)c1O	2129080	PVFHAIYAMFDFJK-MRXNPFEDSA-N	329.440	4.188	10	40	EICB	biogenic
CN(C)c1ccc(N2C(=O)/C(=C\c3cccs3)SC2=S)cc1	4619998	AFCHMKDARKBNRJ-GXDHUFHOSA-N	346.502	4.220	10	40	EICB	
Fc1cccc(F)c1NC(=S)NCc1ccc(N2CCCC2)cc1	225424408	LTEBKWRZIIPQNO-UHFFFAOYSA-N	347.434	4.052	10	40	EICB	
O=C(CCc1ccc(F)cc1)NCc1ccc(N2CCCCC2)cc1	225810149	UXWFBIPEPVADKM-UHFFFAOYSA-N	340.442	4.065	10	40	EICB	
Cc1ccc(CN2C(=O)/C(=C/c3ccccc3O)SC2=S)cc1	409051070	ICGWGYXHUARRMI-YBEGLDIGSA-N	341.457	4.102	10	40	EICB	
O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1cccnc1)N2	409157290	IDSSJBQQJJBDBJ-XHBSWPGZSA-N	327.771	4.470	10	40	EICB	
[N-]=[N+]=NCc1cc2c(I)cccc2nc1Cl	685937504	ZZRJHOQNZWSIGO-UHFFFAOYSA-N	344.543	4.303	10	40	EICB	
CCN(CCNC(=S)Nc1cc(C)cc(C)c1)c1ccc(C)cc1	225792390	JXGSEOVWXQDWKS-UHFFFAOYSA-N	341.524	4.425	10	40	EICB	
Cc1ccccc1N1C(=O)/C(=C\c2ccc(O)cc2)SC1=S	6174259	DCRFURASZKACAP-XNTDXEJSSA-N	327.430	4.106	10	40	EICB	
CCCC(=O)N[C@H](c1ccc(C)cc1)c1ccc2cccnc2c1O	102666	YLHAGZFGLRYNET-LJQANCHMSA-N	334.419	4.255	10	40	EICB	
Cc1cc(/C=C2/SC(=O)NC2=O)c(C)n1-c1ccc(Cl)cc1	2302304	LHUUGTIADJVUDI-RIYZIHGNSA-N	332.812	4.071	10	40	EICB	
CCCCCCN1C(=O)/C(=C/c2ccccc2OC)SC1=S	2666831	STHZZBWVMLLZKS-QINSGFPZSA-N	335.494	4.477	10	40	EICB	
CCOc1ccc(/C=C2/SC(Nc3cccc(C)c3)=NC2=O)cc1	350562	DTRBELYRNNYBFF-SFQUDFHCSA-N	338.432	4.476	10	40	EICB	
C[C@@H]1C[C@H]1C(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12	36489935	XRESISWWGXCJAW-CFCCAZDESA-N	331.415	4.407	10	40	EICB	
CCc1ccccc1N1C(=O)/C(=C/c2cccnc2)SC1=S	5372333	DZBSQQCRMDIFSU-GDNBJRDFSA-N	326.446	4.050	10	40	EICB	
CC(C)c1ccc(NC(=S)NCCN(C)c2ccccc2)cc1	16704956	GZYNQVUMLNVZHJ-UHFFFAOYSA-N	327.497	4.233	10	40	EICB	
Cc1oc2c(CN(C)C)c(O)ccc2c(=O)c1-c1ccc(Cl)cc1	20438567	UDWXFONPFWNBGP-UHFFFAOYSA-N	343.810	4.189	10	40	EICB	biogenic
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1[N+](=O)[O-]	100040906	RAFPITJPDDTFLH-XNTDXEJSSA-N	341.754	4.054	10	40	EICB	
CC(C)c1cc(CN2CCCCC2)c(O)c(CN2CCCCC2)c1	1670290	CXQYDSSDDHUEAJ-UHFFFAOYSA-N	330.516	4.487	10	40	EICB	
CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1ccc(Cl)cc1	15134083	SLINMSRSTKXUCI-BOPFTXTBSA-N	325.799	4.367	10	40	EICB	
CSc1ccc(CNCc2cc(Br)ccc2O)cc1	40477067	WTCLZKHIUCYUIH-UHFFFAOYSA-N	338.270	4.166	10	40	EICB	
COc1ccc(C2=C/C(=C\c3ccc(OC(C)C)cc3)C(=O)O2)cc1	408741035	GOJZNCZSACJSFT-SFQUDFHCSA-N	336.387	4.464	10	40	EICB	
Cc1ccsc1/C=C1\C(=O)N(c2ccccc2)N=C1C(F)(F)F	408970771	DPTBKZSLDHQGQT-XFXZXTDPSA-N	336.338	4.405	10	40	EICB	
O=C1N=C(NC2CCCC2)S/C1=C\c1ccc(C(F)(F)F)cc1	20987346	OMFHYCSVCBSYCU-LCYFTJDESA-N	340.370	4.208	10	40	EICB	
CCOc1ccc(NC2=NC(=O)/C(=C\c3ccc(C)cc3)S2)cc1	35644179	UEVULSPSOQSWEE-SFQUDFHCSA-N	338.432	4.476	10	40	EICB	
CCc1ccc(C2=C/C(=C/c3cc([N+](=O)[O-])ccc3C)C(=O)O2)cc1	408973331	AOBGUAIEQADNAN-YVLHZVERSA-N	335.359	4.447	10	40	EICB	
Cc1cc(NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)no1	62647854	WYJTXDUSXIWCME-UHFFFAOYSA-N	342.443	4.074	10	40	EICB	
CCCOC(=O)c1ccc(/N=N/c2cc(C=O)c(O)c(OC)c2)cc1	70462739	DLXWUILNCZVFNR-FMQUCBEESA-N	342.351	4.196	10	40	EICB	
CCOC(=O)[C@@H](C)n1c(C)ccc1-c1ccc(Br)cc1	95951476	BSRWIQUCMFFHHN-GFCCVEGCSA-N	336.229	4.350	10	40	EICB	
CN(C)c1ccc(/C=C2/C(=O)Nc3ccccc32)cc1Br	574902	ICOWPVKJJICKJZ-UKTHLTGXSA-N	343.224	4.008	10	40	EICB	
Cc1cc(C(=O)COC(=O)C2CC2)c(C)n1-c1ccc(F)c(Cl)c1	5711227	GZEPKDBTYZFKQC-UHFFFAOYSA-N	349.789	4.023	10	40	EICB	
CCO[C@H](C)c1nc(C)c(C(=O)N[C@H](CC)c2ccccc2O)s1	77006168	APZXWCHFJXIJNO-TZMCWYRMSA-N	348.468	4.136	10	40	EICB	
CC1=CC(C)(C)N=C(Nc2nc(-c3ccccc3)c3ccccc3n2)N1	553052	DXICUHJLOMNKOU-UHFFFAOYSA-N	343.434	4.350	10	40	EICB	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCc2ccncc2)c1	10052272	LOMFBZUZMYKLQT-UHFFFAOYSA-N	339.826	4.073	10	40	EICB	
C[C@H]1CCCN(c2ccc(CNC(=S)Nc3ccccc3)cc2)C1	225689184	VUHFRXORIDLIGH-INIZCTEOSA-N	339.508	4.410	10	40	EICB	
CN(C1=NC(=O)/C(=C/C=C/c2ccccc2)S1)c1ccc(O)cc1	98899	KFESTKZPAVEVHA-WIXUPIFPSA-N	336.416	4.055	10	40	EICB	
Cc1ccc(N(C)CCNC(=S)Nc2cccc(Cl)c2)cc1	225795034	WKVFMTJTZBDIRZ-UHFFFAOYSA-N	333.888	4.071	10	40	EICB	
CCOc1cccc([C@@H]2Nc3c(C)cccc3-c3cc(C)nn32)c1O	818132	XVWTYTKKFQIUTM-HXUWFJFHSA-N	335.407	4.244	10	40	EICB	
CC(C)[C@]1(CCNCc2ccc(N(C)C)cc2)CCOC(C)(C)C1	2098045	QTWJSEWNLHECAS-OAQYLSRUSA-N	332.532	4.464	10	40	EICB	biogenic
Cc1c(-c2ccc(Cl)cc2)c(=O)oc2c(CN(C)C)c(O)ccc12	4353827	ASHFBCZFYZJHDV-UHFFFAOYSA-N	343.810	4.189	10	40	EICB	biogenic
CCN1c2ccc(/C=C3/SC(=O)NC3=O)cc2C(C)=CC1(C)C	208504714	IEDJNPBPVGULHY-OQLLNIDSSA-N	328.437	4.032	10	40	EICB	
O=C1N=C(Nc2ccccc2)S/C1=C\c1ccc(Br)o1	5595307	PSSMDQKJEAAMEG-FLIBITNWSA-N	349.209	4.125	10	40	EICB	
Cc1ccc(C(=O)C(=O)c2cccc(Br)c2)c(Cl)c1	8369819	XGGKXQKJANCGMR-UHFFFAOYSA-N	337.600	4.477	10	40	EICB	
O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1C[C@H]1CCCO1	6225874	SGHVFRHJRACAPU-MRXNPFEDSA-N	333.815	4.005	10	40	EICB	
Cc1ccc([C@H]2N=C(O)c3c(sc4c3CC[C@@H](C)C4)N2)c(O)c1	6426357	PTUFJQVHTKXFLN-HWPZZCPQSA-N	328.437	4.316	10	40	EICB	
COc1ccc(C2(Nc3ccccc3)C(=O)c3ccccc3C2=O)cc1	6902071	QJTJAKBLADGDNX-UHFFFAOYSA-N	343.382	4.082	10	40	EICB	
CCCCCN/C(C)=C1\C(=O)N(c2ccc(OC)cc2)N=C1CCC	17071726	SLWQMNFPEAOHJR-CYVLTUHYSA-N	343.471	4.252	10	40	EICB	
CN(C)c1ccc(CNC(=O)c2sccc2-c2ccccc2)cc1	15832739	IBVFYXJVQMGIRM-UHFFFAOYSA-N	336.460	4.411	10	40	EICB	
COc1ccc(/C=C2/SC(Nc3ccc(Cl)cc3)=NC2=O)cc1	35624678	OQYJUMFRASYLFY-XNTDXEJSSA-N	344.823	4.431	10	40	EICB	
CCc1ccc(NC2=NC(=O)/C(=C\c3ccccc3F)S2)cc1	35043267	JOJYDKFZXBYPLC-LFIBNONCSA-N	326.396	4.471	10	40	EICB	
Cc1ccccc1-n1c(C)cc(C(=O)CSc2nncs2)c1C	48356192	VAKAKHPLVUFBQQ-UHFFFAOYSA-N	343.477	4.229	10	40	EICB	
Cc1ccc(C(=O)C(=O)c2ccc(Br)cc2)c(Cl)c1	8369816	SDVBLMOZYRCTHV-UHFFFAOYSA-N	337.600	4.477	10	40	EICB	
Cc1ccc(/C=C2\SC(=S)N(CN3CCCCCC3)C2=O)cc1	12447475	BTXSDJBPTOAAQC-VBKFSLOCSA-N	346.521	4.030	10	40	EICB	
COc1ccccc1NC(=O)c1cc(C)n(-c2ccccc2F)c1C	32906297	PCEDFXLEALYPSX-UHFFFAOYSA-N	338.382	4.494	10	40	EICB	
Cc1ccc(C)c(N2C(=O)/C(=C\c3ccccc3O)SC2=S)c1	35038773	NOHOKPJALVBYMD-MHWRWJLKSA-N	341.457	4.415	10	40	EICB	
CC[C@@H]1CCCCN1Cc1c(O)c(Cl)cc2c(C)cc(=O)oc12	19789539	KOBRSAVGLLIUTE-GFCCVEGCSA-N	335.831	4.225	10	40	EICB	
Cc1ccccc1N1C(=O)S/C(=C\c2ccc(N(C)C)cc2)C1=O	12113015	CDTGHTOIIVWLCW-ATVHPVEESA-N	338.432	4.302	10	40	EICB	
CCCOc1c(Cl)cc(/C=C2\SC(=S)NC2=O)cc1Cl	408530018	KDHRSCQHLPIYGQ-POHAHGRESA-N	348.276	4.271	10	40	EICB	
CCOC(=O)c1ccoc1CSc1ncc(-c2ccccc2)n1C	10087838	OWCWSQSKQDTGMI-UHFFFAOYSA-N	342.420	4.149	10	40	EICB	
CCc1ccc(CCC(=O)NCc2ccc(N(CC)CC)cc2)cc1	225020625	FZSKTSJBAAQTQG-UHFFFAOYSA-N	338.495	4.344	10	40	EICB	
O=C(O)c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1	14165774	HCIYEXVHIYQVBY-VKJFTORMSA-N	336.347	4.120	10	40	EICB	
Cc1cc2c(cc1/C=C1/SC(=O)NC1=O)[C@H](C)CC(C)(C)N2C	208232974	GLNDSXWADHLYFX-OXFWXOROSA-N	330.453	4.041	10	40	EICB	
CCc1ccc(N2C(=O)/C(=C/c3cccnc3)SC2=S)cc1	5372335	RLKICWOMMGSISA-GDNBJRDFSA-N	326.446	4.050	10	40	EICB	
Cc1ccc(C)c(-n2c(C)cc(/C=C3\SC(=O)NC3=O)c2C)c1	408820838	ZJDKXNUDXJFUQB-SXGWCWSVSA-N	326.421	4.035	10	40	EICB	
Cc1ccc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)o1	6865697	QRRJVVVLOKLHCZ-XNTDXEJSSA-N	344.461	4.060	10	40	EICB	
COc1ccc(Cl)cc1N/C=C1\C(=O)N(c2ccccc2)N=C1C	5955637	IWIWZNYYJSXFDL-PTNGSMBKSA-N	341.798	4.067	10	40	EICB	
COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccncc1)N2	6950364	FFWSBZAYRWJHGG-IGCXYCKISA-N	340.810	4.348	10	40	EICB	
CCCN1C(=O)S/C(=C\c2ccc(N3CCCCC3)cc2)C1=O	408959740	DZLWPUQYJANIFO-SSZFMOIBSA-N	330.453	4.123	10	40	EICB	
CC1=NN(c2ccccc2)C(=O)/C1=C\C1=Cc2ccccc2O[C@@H]1C	570709	ZHWFTWODSVKPGO-JPVKTXQWSA-N	330.387	4.200	10	40	EICB	
CCc1nnc(CNc2ccc(Cl)cc2C(=O)c2ccccc2)o1	71833332	NTRGRMDGRNZAIY-UHFFFAOYSA-N	341.798	4.129	10	40	EICB	
COc1ccc(-c2ccc(CCC(=O)O)n2-c2ccccc2C)cc1	408943752	IEGAJCZIGQHVFO-UHFFFAOYSA-N	335.403	4.479	10	40	EICB	
Cc1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1	3906518	ZARKDHHMWOCDPM-UHFFFAOYSA-N	341.366	4.023	10	40	EICB	
O=C1c2ccccc2N[C@H](c2ccccc2O)N1CCc1ccccc1	57945741	IAFYUPMSKNBHGC-NRFANRHFSA-N	344.414	4.201	10	40	EICB	
Cc1ccc(NS(=O)(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1	58850358	HWQOVPKBAQDOFN-UHFFFAOYSA-N	340.448	4.203	10	40	EICB	
Cc1cc(C(=O)O)c(C)n1-c1ccc(Br)c(Cl)c1	223705764	MEKMTIKWBGEQMY-UHFFFAOYSA-N	328.593	4.208	10	40	EICB	
CCN(CCO)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2Cl)cc1	254742978	FEJPWLNPOFOBSP-UHFFFAOYSA-N	348.790	4.482	10	40	EICB	
Cc1ccc(C)n1N1C(=O)/C(=C/C=C\c2ccccc2)SC1=S	409205977	LFLDDKPWBKKDGW-CNFVKKRWSA-N	340.473	4.199	10	40	EICB	
CCCCn1cnc2cc(NCc3cc(OC)ccc3OC)ccc21	3907441	YLYKIVWNOZVHBG-UHFFFAOYSA-N	339.439	4.466	10	40	EICB	
CCCOc1ccc(/C=C2\SC(N3CCCCCC3)=NC2=O)cc1	12436938	HBCNJRMMCMPHMP-VKAVYKQESA-N	344.480	4.322	10	40	EICB	
Oc1cccc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)c1O	52683217	WXWNTQODDNIGHZ-HXUWFJFHSA-N	329.359	4.087	10	40	EICB	
O=C1/C(=C\c2cccs2)SC(=S)N1c1cccc([N+](=O)[O-])c1	113830391	VAJMEAUDCNUKCZ-XYOKQWHBSA-N	348.430	4.062	10	40	EICB	
Cc1ccc(S(=O)(=O)Nc2c3ccccc3nc3ccccc23)cc1	4662708	QLDHSCAIZKDCET-UHFFFAOYSA-N	348.427	4.497	10	40	EICB	
CN(Cc1ccccc1O)C(=O)c1cccc2c3c([nH]c12)CCCC3	42116907	PFHHBTZYCPVNPW-UHFFFAOYSA-N	334.419	4.025	10	40	EICB	
C[C@@H](NCc1ccccc1O)c1cccc(OCc2ccccn2)c1	78394123	RJHOWGLEROBMJM-MRXNPFEDSA-N	334.419	4.217	10	40	EICB	
CC(=O)c1ccc(N/C=C2/C(=O)N(c3ccc(C)c(C)c3)N=C2C)cc1	95481265	GJHUXNNOWZPJNQ-UDWIEESQSA-N	347.418	4.225	10	40	EICB	
CCN(CC)c1ccc(Cc2ccc(N(CC)CC)cc2N)c(N)c1	1689838	MXYZBFRQBCDKCK-UHFFFAOYSA-N	340.515	4.134	10	40	EICB	
O=C(O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2	4859609	GHKHTCDNBJXQBZ-LXIYXOSZSA-N	336.347	4.120	10	40	EICB	
Oc1cc2c(cc1O)[C@H](c1cccc(Oc3ccccc3)c1)NCC2	3722902	DIANRWDVZJCNAA-NRFANRHFSA-N	333.387	4.125	10	40	EICB	
Cc1ccc(N2C(=O)/C(=C\c3cccnc3)SC2=S)cc1C	4747157	PENYYSXFTHRKPP-OQLLNIDSSA-N	326.446	4.104	10	40	EICB	
CSc1ccc(Cl)c(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1	32722609	FNUZXKIEJTXBKC-UHFFFAOYSA-N	348.899	4.400	10	40	EICB	
C[C@@H](NCc1ccccc1O)c1ccc(OCc2cccnc2)cc1	71792522	UALNEMPDCUDAJB-MRXNPFEDSA-N	334.419	4.217	10	40	EICB	
C[C@H](NC(=S)Nc1cccc(F)c1)c1ccc(N2CCCC2)cc1	225694912	WMPPRKSTGLABBP-AWEZNQCLSA-N	343.471	4.474	10	40	EICB	
O=C1/C(=C\c2cc(Cl)ccc2O)SC(=S)N1c1ccccc1	13943544	PFQJCHWKBKNLBH-NTEUORMPSA-N	347.848	4.451	10	40	EICB	
COc1cccc(/C=C2/C=C(c3ccc(Cl)cc3)OC2=O)c1OC	17314813	BFTLGNIWJAEJJR-UVTDQMKNSA-N	342.778	4.339	10	40	EICB	
COC(=O)c1cccc2c1N[C@@H](c1ccc(OC)cc1)[C@H]1CC=C[C@@H]21	226641917	HZEANAYNTYGQCB-GJYPPUQNSA-N	335.403	4.308	10	40	EICB	
Cc1cccc(N2C(=O)/C(=C/c3ccc(O)cc3)SC2=S)c1	4836755	JWKGSAKZSGTHLQ-GDNBJRDFSA-N	327.430	4.106	10	40	EICB	
Cc1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)o1	9188763	QRRJVVVLOKLHCZ-GDNBJRDFSA-N	344.461	4.060	10	40	EICB	
CC(C)CN(Cc1c(O)ccc2c3c(c(=O)oc12)CCC3)CC(C)C	122722	NGXNLRWGXCVBNE-UHFFFAOYSA-N	343.467	4.101	10	40	EICB	aggregator,biogenic
Oc1ccccc1[C@@H](Nc1ccccn1)c1ccc2cccnc2c1O	38230	WDUVBQZZERJUFX-HXUWFJFHSA-N	343.386	4.243	10	40	EICB	
CCCCN1C(=O)/C(=C2\C=Cc3ccccc3N2CC)SC1=S	13600787	MRRJVSYZXQEZAE-NXVVXOECSA-N	344.505	4.412	10	40	EICB	
Cc1cc(C)cc(NC(=S)NCCCN(C)c2ccccc2)c1	7558665	ZPWFLTBKWGRBQJ-UHFFFAOYSA-N	327.497	4.116	10	40	EICB	
C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(N)cc1	19736664	JXEVEGHIEOUDCH-OAHLLOKOSA-N	332.403	4.342	10	40	EICB	
O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(Cl)cc1F	62224836	DGUYIHVMAPVEFK-UHFFFAOYSA-N	346.833	4.399	10	40	EICB	
CCn1ncc2c1CCC[C@H]2NCc1ccc(N2CCCCC2)cc1	72298474	RKSQZQFDOXDNHO-HXUWFJFHSA-N	338.499	4.061	10	40	EICB	
CC[C@@H](NC1CCN([C@H](C)c2ccncc2)CC1)c1ccccc1O	156846933	NYWVMZISQIREEO-OXQOHEQNSA-N	339.483	4.054	10	40	EICB	
O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccncc1)N2	409153577	MCKZPARZWHIPCC-XJKCOSOUSA-N	327.771	4.470	10	40	EICB	
COc1ccc(OC)c(/C=C2/C=C(c3ccc(C)cc3C)OC2=O)c1	199957	OEJIKUOJCZLMPF-YBEGLDIGSA-N	336.387	4.302	10	40	EICB	
Cc1cc(C)c2c(N)c(C(=O)Oc3ccc(Cl)cc3)sc2n1	108002	CTGPDSCJFIUDFL-UHFFFAOYSA-N	332.812	4.368	10	40	EICB	
CCN(CC)c1ccc(/N=N/[C@H]2C(=O)N(c3ccccc3)N=C2C)cc1	102151683	AMZJZKQWWQJODK-XKXPVHLMSA-N	349.438	4.408	10	40	EICB	
CCN(CC)c1ccc(CNC(=O)CCc2ccccc2Cl)cc1	225566067	RKQIFRFTISWKCO-UHFFFAOYSA-N	344.886	4.435	10	40	EICB	
CCCN1C(=O)/C(=C/c2ccccc2O[C@@H](C)CC)SC1=S	409346154	NIMINJBBNVCYQS-CMHHUMAZSA-N	335.494	4.475	10	40	EICB	
Cc1ccc(NC(=S)NCCN(C)c2ccccc2)cc1Cl	16704938	UIDVIRGXIBBKMW-UHFFFAOYSA-N	333.888	4.071	10	40	EICB	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(F)cc1F	71806296	PEPAZORFTKBWOL-UHFFFAOYSA-N	344.405	4.227	10	40	EICB	
Cc1ccc(C)n1-c1ccc([C@H]2CCCN2C(=O)c2ccccc2)cn1	72216770	YAXUZWSIHVEUGM-HXUWFJFHSA-N	345.446	4.466	10	40	EICB	
C[C@@H](NC(=O)Cc1ccc(F)cc1)c1ccc(N2CCCCC2)cc1	222679333	RTQKFBGCWRSLMO-MRXNPFEDSA-N	340.442	4.236	10	40	EICB	
CN(C1=NC(=O)/C(=C/c2ccc(Cl)cc2)S1)c1ccc(O)cc1	107182	JRBUSKXNESLGQP-GDNBJRDFSA-N	344.823	4.152	10	40	EICB	
O=C1OC(c2ccccc2)=C/C1=C\c1ccc(Br)cc1	33315171	KCAQUBUBUKQBIR-GXDHUFHOSA-N	327.177	4.430	10	40	EICB	
O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccccn1)N2	59267195	UWMDMCQMWLCEGN-OHUAYANFSA-N	327.771	4.470	10	40	EICB	
CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(C)o1	1411780	FPPPOZPYJDRHCT-DHDCSXOGSA-N	334.297	4.413	10	40	EICB	
Cc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cc1C	2754904	AUMLMJZDAABOEZ-UHFFFAOYSA-N	344.461	4.228	10	40	EICB	
C[C@H]1C[C@H]1C(=O)OCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1	4806876	WYWKLODTCMKACH-QZTHXLGXSA-N	337.379	4.240	10	40	EICB	
O=S(=O)(O)c1ccc(N=Nc2c(O)ccc3ccccc23)cc1	245240657	RDUJRVXKAIVTDH-UHFFFAOYSA-N	328.349	4.208	10	40	EICB	
Cc1cc(C(=O)Nc2cccc(Oc3ccc(N)cc3)c2)ccc1N	255189692	RLKKOOFJPPFTDL-UHFFFAOYSA-N	333.391	4.204	10	40	EICB	
COc1ccc(N2C(=O)/C(=C/c3cccc(F)c3)SC2=S)cc1	1253982	WPGQMJYDLWIYTN-GDNBJRDFSA-N	345.420	4.240	10	40	EICB	
COc1ccc(N2C(=O)/C(=C/C=C/c3ccco3)SC2=S)cc1	4387522	DXEBBWIGHFOWAN-RPGBBNPCSA-N	343.429	4.250	10	40	EICB	
CCc1cc2c(C)cc(=O)oc2c(CN2CCCC[C@H]2CC)c1O	38086	VNJQRLQPSJKPFE-OAHLLOKOSA-N	329.440	4.134	10	40	EICB	biogenic
CN1C(=O)/C(=C/c2ccccc2OCc2ccccc2)SC1=S	1206546	WDQMCYRBECGYCS-WJDWOHSUSA-N	341.457	4.097	10	40	EICB	
COc1ccc(/C=C2/SC(Nc3cc(C)ccc3C)=NC2=O)cc1	35644509	LJJOIVLKNXNBJT-GZTJUZNOSA-N	338.432	4.394	10	40	EICB	
CC1=NN(c2ccccc2C)C(=O)/C1=C/Nc1ccccc1Cl	5730816	GZDMMVCFXZOMAI-SDNWHVSQSA-N	325.799	4.367	10	40	EICB	
COC(=O)c1ccccc1NC(=O)c1ccc(-n2c(C)ccc2C)cc1	7468502	PZCJLITTXPEMJB-UHFFFAOYSA-N	348.402	4.133	10	40	EICB	
CCOc1ccc(N/C(C)=C2\C(=O)N(c3ccccc3)N=C2C)cc1	112112148	IALURPHYUPOJFM-RGEXLXHISA-N	335.407	4.194	10	40	EICB	
O=C1OC2(CCCCC2)OC(=O)C1=Cc1cccc(Cl)c1Cl	408769021	KZOOWZBXOLLNRN-UHFFFAOYSA-N	341.190	4.137	10	40	EICB	
CN1C(=S)C2=C(c3ccccc3)N(C)C(=S)C2=C1c1ccccc1	1617356	GENXCIUDVJPPNH-UHFFFAOYSA-N	348.496	4.355	10	40	EICB	
CCn1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c2ccccc21	12524388	CMYHEUXOUNUQGH-CPNJWEJPSA-N	329.403	4.467	10	40	EICB	
Cc1nc(-c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)cs1	12543392	DIWHJFXTCXCDMA-UHFFFAOYSA-N	326.421	4.297	10	40	EICB	
COc1ccc(N2CCO[C@@H]2c2ccn(-c3ccccc3C)c2)cc1	216725941	XJVFIVKZGHGYBT-OAQYLSRUSA-N	334.419	4.330	10	40	EICB	
CC1CCN(Cc2c(O)ccc3c(-c4ccccc4)cc(=O)oc23)CC1	488818	CAIKCPYAPNQUBD-UHFFFAOYSA-N	349.430	4.398	10	40	EICB	biogenic
CCC(=O)C(=O)C[C@H]1CC(c2ccco2)=Nc2ccccc2S1	5757892	SMYDALQQBZQYRY-GFCCVEGCSA-N	327.405	4.203	10	40	EICB	
C[C@H](NCc1ccc2c(c1)CCO2)c1cc(Cl)c(N)c(Cl)c1	95444370	PBUPUZXQBXOWGC-JTQLQIEISA-N	337.250	4.361	10	40	EICB	
Cc1cc(C(=O)CSc2nncs2)c(C)n1-c1cccc(F)c1	3413552	GOJUEGAMPNQKBZ-UHFFFAOYSA-N	347.440	4.060	10	40	EICB	
COC(=O)c1ccc([C@@H]2Nc3ccc(OC)cc3[C@@H]3C=CC[C@@H]32)cc1	3636257	GADQDIUUTSVNQA-UWVAXJGDSA-N	335.403	4.308	10	40	EICB	
COc1ccc(N2CCO[C@H]2c2ccn(-c3ccccc3C)c2)cc1	216725991	XJVFIVKZGHGYBT-NRFANRHFSA-N	334.419	4.330	10	40	EICB	
CCN(CC)Cc1cc(Nc2ncnc3scc(C)c23)ccc1O	1560347	QXZMFTHATRVHJC-UHFFFAOYSA-N	342.468	4.291	10	40	EICB	
O=C1/C(=C\c2ccccc2F)SC(=S)N1c1ccccc1F	5201263	MWAKCJBIOXDVII-NTEUORMPSA-N	333.384	4.371	10	40	EICB	
Cc1ccc(O)c(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1	13894693	LUWNXFPFLQBZEG-XNTDXEJSSA-N	327.430	4.106	10	40	EICB	
CCOC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccccc1	408729841	DPWHCBFTAXEXOC-JXAWBTAJSA-N	339.435	4.082	10	40	EICB	
Cc1cccc(-n2c(C)cc(/C=C3\SC(=S)NC3=O)c2C)c1C	408997320	NQQXAHTZMIWGMT-SXGWCWSVSA-N	342.489	4.200	10	40	EICB	
COc1ccccc1-n1cnc2cc(NCc3ccccc3O)ccc21	1283183	NCPGCIWQFAKYKF-UHFFFAOYSA-N	345.402	4.352	10	40	EICB	
O=[N+]([O-])c1ccc([C@@H]2Nc3cc([N+](=O)[O-])ccc3[C@H]3C=CC[C@H]32)cc1	5394875	HVSGYSDFVTWWQQ-KYJSFNMBSA-N	337.335	4.330	10	40	EICB	
Cc1cccc(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)c1	6793154	PPADLZFAMOUJIT-UHFFFAOYSA-N	327.383	4.382	10	40	EICB	
O=C1N=C(N2CCCC2)S/C1=C\c1cccc(Cl)c1Cl	13536323	LZXLQKPDSPCHOJ-FLIBITNWSA-N	327.236	4.060	10	40	EICB	
CCOC(=O)c1[nH]c2ccc(F)cc2c1/N=N/N1CCC[C@H](C)C1	2310497	HNRCFHAUJIZLSQ-BMQZVHBQSA-N	332.379	4.214	10	40	EICB	
O=C(c1ccco1)N1N=C(c2ccccc2O)C[C@H]1c1cccs1	4942495	KONTWVNJNFSLAV-AWEZNQCLSA-N	338.388	4.038	10	40	EICB	
O=C(O)[C@@H]1CCCN1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1	45221987	UEUNYSDAPYUZKG-BZROSYFNSA-N	338.367	4.183	10	40	EICB	
CCOc1ccccc1NC1=NC(=O)/C(=C/C=C/c2ccco2)S1	5374543	BMRVRBOYTFWWKA-PFKGSKDKSA-N	340.404	4.317	10	40	EICB	
CCCOc1ccccc1/C=C1\C(=O)N(c2ccc(F)cc2)N=C1C	5708222	ANCDVDAAOXMKAJ-AQTBWJFISA-N	338.382	4.421	10	40	EICB	
O=C1N=C(N2CCCCC2)S/C1=C\c1c(Cl)cccc1Cl	7701136	YJYYKLGJXGHTIB-LCYFTJDESA-N	341.263	4.450	10	40	EICB	
CC(C)OC(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)O)c2)cc1	70462706	NJRAECLQNATNKF-VHEBQXMUSA-N	328.324	4.071	10	40	EICB	
COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1Cl	382047	LZASHNHZYWCKMU-GDNBJRDFSA-N	326.783	4.155	10	40	EICB	
CCOC(=O)/N=N/C(OC(C)=O)(c1ccccc1)c1ccccc1	17325118	PJYPUIHVCJUQPE-FMQUCBEESA-N	326.352	4.060	10	40	EICB	
O=S(=O)(O)c1ccc2ccc(O)c(/N=N/c3ccccc3)c2c1	4803982	UKUDENMHDUNDBF-ISLYRVAYSA-N	328.349	4.208	10	40	EICB	
CCC(=O)C(=O)C[C@@H]1CC(c2ccco2)=Nc2ccccc2S1	5757891	SMYDALQQBZQYRY-LBPRGKRZSA-N	327.405	4.203	10	40	EICB	
Oc1ccccc1C1=NN2[C@H](c3cccnc3)Oc3ccccc3[C@H]2C1	6721622	DHHNXUPNZRIEQV-NQIIRXRSSA-N	343.386	4.030	10	40	EICB	
CN1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S	13547580	CEYJLJDJBSSALE-WJDWOHSUSA-N	341.457	4.097	10	40	EICB	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc2c(F)cccc2s1	27380047	SCNSDIDGKLVKDH-UHFFFAOYSA-N	342.439	4.379	10	40	EICB	
Cc1ccc(N/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1	96299601	XUXLLJQNZNGWFT-RVDMUPIBSA-N	332.494	4.441	10	40	EICB	
O=C1N=C(N2CCCC2)S/C1=C\c1ccc(-c2ccccc2)cc1	9188846	HLNNDQRRZRFIAW-JXAWBTAJSA-N	334.444	4.420	10	40	EICB	
CCN(CC)c1ccc(/C=C2\SC(N3CCCC3)=NC2=N)cc1	16678472	BKXLGROEEFYKGO-MIDVZBRJSA-N	328.485	4.050	10	40	EICB	
CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccc(C)c(Cl)c1	44965562	JPJYTFWNWVTDND-WJDWOHSUSA-N	325.799	4.367	10	40	EICB	
CCCOC(=O)c1cccc(/N=N/c2cc(C=O)c(O)c(OC)c2)c1	70462733	GAPVPGAXKDGANI-FMQUCBEESA-N	342.351	4.196	10	40	EICB	
Nc1ccc(CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1	96402473	BXGSSPLKXZTBIE-UHFFFAOYSA-N	348.368	4.021	10	40	EICB	
Cc1ccc(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)c(C)c1	223704561	WXSYUWKGUUKPEM-QGZVFWFLSA-N	336.479	4.470	10	40	EICB	
O=C1/C(=C/C=C/c2ccco2)SC(=S)N1Cc1ccccc1	1176088	YHSBXXPINTVKRS-VVGDYKIKSA-N	327.430	4.237	10	40	EICB	
O=C1OC(c2ccc3ccccc3c2)=C/C1=C1/OC(=O)c2ccccc21	32115753	QCKWMOYAUNQSHH-ZZEZOPTASA-N	340.334	4.319	10	40	EICB	
O=C(Cc1ccc(Cl)cc1)NCc1ccc(N2CCCCC2)cc1	10113227	OLDWCOADRHFPBS-UHFFFAOYSA-N	342.870	4.189	10	40	EICB	
COc1cccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1	13547352	QRSRUSOZEQJGBW-PTNGSMBKSA-N	327.430	4.101	10	40	EICB	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccc(Cl)cn1	16160799	AGSMJNXHJKIASG-ZROIWOOFSA-N	347.205	4.107	10	40	EICB	
COc1ccccc1/C=C1/SC(Nc2cc(C)ccc2C)=NC1=O	35644463	QOBNSJZCDJKZIW-GZTJUZNOSA-N	338.432	4.394	10	40	EICB	
Cc1ccccc1NC1=NC(=O)/C(=C\c2csc([N+](=O)[O-])c2)S1	53103436	LAKQWKRZIGBVBV-WUXMJOGZSA-N	345.405	4.047	10	40	EICB	
C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2cccnc2)SC1=S	13804260	GZRCPYBYMUWKRA-GQVHDAKQSA-N	326.446	4.044	10	40	EICB	
COc1ccc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc1	1091729	NGYONQMXGOEQBY-WJDWOHSUSA-N	341.457	4.409	10	40	EICB	
C[C@H](OC(=O)Cc1ccc(N)cc1)c1ccc2c3c(cccc13)CC2	216851622	RWOQTBWKXVDNON-AWEZNQCLSA-N	331.415	4.368	10	40	EICB	
COc1ccc(/C=C2\C=C(c3ccc(C)cc3C)OC2=O)c(OC)c1	409054048	QNMWEMRZRUAPMD-MHWRWJLKSA-N	336.387	4.302	10	40	EICB	
COc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1	1748034	OWNHXUOXVIGEPW-LFIBNONCSA-N	341.457	4.097	10	40	EICB	
CCOc1nc(N)nc(C)c1/N=N/c1ccc(Cl)cc1Cl	17141830	KZOVELHNZHDDJN-FMQUCBEESA-N	326.187	4.488	10	40	EICB	
Cc1ccsc1/C=C1/SC(=S)N(n2c(C)ccc2C)C1=O	409195260	GWKJQBZAONQWHA-MDWZMJQESA-N	334.491	4.012	10	40	EICB	
O=C1[C@@H](Cc2ccccc2Cl)SC(=S)N1c1ccccc1	4539868	PBJCLGPACINUQO-CQSZACIVSA-N	333.865	4.316	10	40	EICB	
CC(=O)c1cccc(Nc2nc(-c3ccc(O)c(O)c3)cs2)c1	784486	PUYYCXILPRKMQU-UHFFFAOYSA-N	326.377	4.168	10	40	EICB	
CC(C)N1C(=O)/C(=C/c2cc(Cl)c3ccccc3n2)SC1=S	12289314	WQMQDWAOFCSMGI-ZSOIEALJSA-N	348.880	4.498	10	40	EICB	
N=C1/C(=C/c2cccs2)C(=O)N=C2SC=C(c3ccccc3)N12	4183519	OQPKJAGKJYOJHX-CRFANRBNSA-N	337.429	4.052	10	40	EICB	
Cc1ccc(O)c([C@@H]2N=C(O)c3c(sc4c3CC[C@@H](C)C4)N2)c1	4571292	WNLFYHSLWBHJPD-QLJPJBMISA-N	328.437	4.316	10	40	EICB	
Cc1c2c(cc3c4ccccc4n(C)c13)C(=O)c1ccccc1C2=O	5463436	BKJIRKILOBLUBP-UHFFFAOYSA-N	325.367	4.415	10	40	EICB	
C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3/SC(=O)N(C)C3=O)cc21	208201663	ZUAITDXTLLXKQC-BTAWCLGRSA-N	330.453	4.075	10	40	EICB	
O=C(/C=C/c1ccc(Cl)cc1)NCc1ccc(N2CCCC2)cc1	13646701	KFXMFICDMUIBHW-KPKJPENVSA-N	340.854	4.270	10	40	EICB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1Br	58821959	IJEXZPBIOQRIGN-RVDMUPIBSA-N	341.208	4.255	10	40	EICB	
COc1ccccc1C[C@@H]1CCCN1Cc1cc2c(cc1O)CCC2	83980063	VVNVXCMDZDJYPQ-FQEVSTJZSA-N	337.463	4.097	10	40	EICB	
O=C(O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1cccnc1)N2	409156149	SETRVZNZKPJLKW-WQGACYEGSA-N	326.783	4.260	10	40	EICB	
O=C(Nc1ccccc1)c1ccc2c3c(onc13)-c1ccccc1C2=O	501600	WLMNODFMTOHMAL-UHFFFAOYSA-N	340.338	4.292	10	40	EICB	
Cc1ccc(/C=C2\SC(=S)N(C(=O)c3ccccc3)C2=O)cc1	16291510	ANVDJVHITRMCAJ-PTNGSMBKSA-N	339.441	4.037	10	40	EICB	
COc1ccc(Cl)cc1/N=N/[C@@H]1C(=O)N(c2ccccc2)N=C1C	103607960	RAPWJRJXFGUEGK-QBNCKDSPSA-N	342.786	4.224	10	40	EICB	
CC1=NN(c2ccccc2Cl)C(=O)/C1=C/c1ccc(N(C)C)cc1	3863555	IAUBDXVMSJGWHP-FOWTUZBSSA-N	339.826	4.212	10	40	EICB	
Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)c2cccs2)cc1	4541635	XNQUFUGISWKVFV-UHFFFAOYSA-N	339.416	4.195	10	40	EICB	
CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1C(=O)O)N2	409170448	VSEXDTHSMSHRCT-SXGZJXTBSA-N	333.387	4.414	10	40	EICB	
CN(C)c1ccc([C@H]2SCCN2C(=O)Nc2ccc(F)cc2)cc1	28232386	PPYDRXXALLUIOH-QGZVFWFLSA-N	345.443	4.171	10	40	EICB	
Cn1ccc(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cc1=O	32764362	QHYMJYKBFFHLAO-QURGRASLSA-N	332.363	4.053	10	40	EICB	
Cc1ccc(C)c(NC(=S)NCCCN2CCc3ccccc32)c1	225558518	BYXKFKNIPQKYSX-UHFFFAOYSA-N	339.508	4.043	10	40	EICB	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccn1-c1ccccc1F	408967404	VOZFXHOEXYDAHV-JXAWBTAJSA-N	345.377	4.423	10	40	EICB	
CCN(CC)Cc1c(O)ccc2c(C)c(-c3ccccc3)c(=O)oc12	4353830	WLAHIVWUVMFBDE-UHFFFAOYSA-N	337.419	4.316	10	40	EICB	biogenic
CCc1ccccc1NC(=O)C(=O)c1cc(C)n(-c2ccccc2)c1C	6780876	GBYCLBSROAQTOG-UHFFFAOYSA-N	346.430	4.478	10	40	EICB	
COC(=O)c1cc(C)n(-c2ccc(Br)c(Cl)c2)c1C	223705850	PDDJIEQSHUKNRW-UHFFFAOYSA-N	342.620	4.297	10	40	EICB	
C[C@@H](NC(=S)Nc1ccccc1F)c1ccc(N2CCCC2)cc1	225694461	XXQDYCDTNHJLCR-CQSZACIVSA-N	343.471	4.474	10	40	EICB	
Cc1ccc(C)c(C(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)c1	260761897	DYWPAXLWLFVDBA-KRWDZBQOSA-N	336.479	4.470	10	40	EICB	
C/C(=C1/SC(=S)NC1=O)c1ccccc1OCc1ccccc1	976665	GIVBYGPMWDFCSN-VBKFSLOCSA-N	341.457	4.145	10	40	EICB	
CN(C)c1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)O)cc1	3885043	AVUQSBUWLFDCRI-FYWRMAATSA-N	344.414	4.486	10	40	EICB	
CC(C)c1ccc(/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1	1452460	AENIMYBLSXSYQQ-BMANGOCTSA-N	347.505	4.190	10	40	EICB	
COc1cccc(CNc2ccc3c(c2)ncn3C(C)C)c1OC	2434141	DYDVHLCNSMXGGH-UHFFFAOYSA-N	325.412	4.247	10	40	EICB	
O=C(c1ccccc1)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	4783247	VBJDXONMXWPIDN-UHFFFAOYSA-N	346.769	4.346	10	40	EICB	
CCN(Cc1cc2cc(C)c(C)cc2[nH]c1=O)c1ccc(OC)cc1	13564254	RDRPRWUDPJEKIV-UHFFFAOYSA-N	336.435	4.180	10	40	EICB	
C/C(=C1\SC(=S)N(c2ccccc2)C1=O)c1ccc(N)cc1	11640031	IEEDEMUTQITRIA-RVDMUPIBSA-N	326.446	4.065	10	40	EICB	
COc1ccccc1/C=C1\SC(=S)N(c2cccc(F)c2)C1=O	13714910	FFEBBDNRRKNEKX-DHDCSXOGSA-N	345.420	4.240	10	40	EICB	
Cc1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c(C)n1C	409127656	FEVLERQVVODWLT-WJDWOHSUSA-N	348.537	4.423	10	40	EICB	
O=C1N=C(Nc2cccc(C(F)(F)F)c2)S/C1=C/c1cccnc1	5813647	NJMIKBJSWJTZPE-NTUHNPAUSA-N	349.337	4.183	10	40	EICB	
Cc1cc(O)c(CN2CCN(Cc3cccs3)CC2)cc1C(C)C	22019077	TYLBMOHGXKJFSR-UHFFFAOYSA-N	344.524	4.203	10	40	EICB	
COc1ccc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1Cl	409036755	MEDQYGKBZZSSPT-QPEQYQDCSA-N	341.885	4.206	10	40	EICB	
COC(=O)c1ccc(/C=C2\C=C(c3ccc(C)cc3C)OC2=O)cc1	13897382	VTLYQFXUTBBFIM-GZTJUZNOSA-N	334.371	4.071	10	40	EICB	
O=C1[C@@H](Nc2ccc(Cl)cc2)SC(=S)N1c1ccccc1	13942908	ZESGFUFWOBQDRG-ZDUSSCGKSA-N	334.853	4.143	10	40	EICB	
Cc1ccccc1COc1cccc(/C=C2\SC(=S)NC2=O)c1	1182142	SOBWJAMALJCSBS-YBEGLDIGSA-N	341.457	4.063	10	40	EICB	
Cc1ccc([C@H]2N=C(O)c3c(sc4c3CC[C@H](C)C4)N2)c(O)c1	6426358	PTUFJQVHTKXFLN-QFYYESIMSA-N	328.437	4.316	10	40	EICB	
Cc1cc(C(=O)N2CCC[C@@H]2c2ccccc2)c(C)n1-c1ccccn1	89580057	YHKXQDUXBVIRHT-HXUWFJFHSA-N	345.446	4.466	10	40	EICB	
OCc1ccc(CCc2ccccc2)n1Cc1ccc(Cl)cc1	226029033	SZWFKKPCONBOFB-UHFFFAOYSA-N	325.839	4.467	10	40	EICB	
O=[N+]([O-])c1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@H](c1ccccn1)N2	4454439	UWMDMCQMWLCEGN-XMZIXOGTSA-N	327.771	4.470	10	40	EICB	
COc1ccc2c(c1)CCCN2Cc1nc(-c2ccc(C)cc2)no1	12595585	HUYCYXWDEHCHMZ-UHFFFAOYSA-N	335.407	4.006	10	40	EICB	
CN(C)c1ccc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc1	33328039	CWVYWUAGYASWSR-DHDCSXOGSA-N	332.325	4.264	10	40	EICB	
O=[N+]([O-])c1ccc([C@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc1	4697091	ZJRRXSHPDQPRCB-RLFYNMQTSA-N	337.335	4.330	10	40	EICB	
CCC(CC)C(=O)N1N=C(c2ccccc2O)C[C@@H]1c1ccco1	11692700	MLMTWWKOUMWZTQ-MRXNPFEDSA-N	326.396	4.099	10	40	EICB	
CCc1ccccc1NC1=NC(=O)/C(=C\c2ccc(OC)cc2)S1	35042510	LTWPTRMRDDMUJS-SFQUDFHCSA-N	338.432	4.340	10	40	EICB	
CCN1c2ccc(/C=C3/SC(=O)NC3=O)cc2[C@H](C)CC1(C)C	208310139	KDBZSMZWDAZKBC-BTAWCLGRSA-N	330.453	4.123	10	40	EICB	
CCOc1cccc(CNc2ccc(Br)c(C)c2)c1O	19908112	BZEJBXOWVVKJOO-UHFFFAOYSA-N	336.229	4.474	10	40	EICB	
Cc1cccc(C2=N/C(=C/c3ccco3)C(=O)N2c2ccc(O)cc2)c1	408760311	WLNABZMUFDXTJI-CPNJWEJPSA-N	344.370	4.128	10	40	EICB	
c1ccc(-c2ncc(CNCc3ccc(N4CCCC4)cc3)cn2)cc1	48711675	SVCZXUPIGKEBOO-UHFFFAOYSA-N	344.462	4.034	10	40	EICB	
CCOc1ccc(N/C=C2\C(=O)N(c3ccc(C)c(C)c3)N=C2C)cc1	100041106	KJBKMANARWVXCI-MOSHPQCFSA-N	349.434	4.421	10	40	EICB	
O=C(c1ccco1)N1N=C(c2ccccc2O)C[C@@H]1c1cccs1	4942496	KONTWVNJNFSLAV-CQSZACIVSA-N	338.388	4.038	10	40	EICB	
S=C(NCc1ccc(N2CCCCC2)cc1)Nc1ccccc1	13674907	JXRZMGNRZCHCGV-UHFFFAOYSA-N	325.481	4.164	10	40	EICB	
Cc1ccn2c(NCc3ccccc3O)c(-c3ccccc3O)nc2c1	35616538	OGKWFXFXFRTWAX-UHFFFAOYSA-N	345.402	4.333	10	40	EICB	
COc1ccc(N(C)Cc2csc(-c3ccoc3)n2)cc1OC	95953662	BBMVZFIMGRDTDH-UHFFFAOYSA-N	330.409	4.057	10	40	EICB	
CCN(CC)/N=N/c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1	306293	YSDSIBPXGKIDAJ-CZIZESTLSA-N	346.456	4.136	10	40	EICB	
O=C(c1cccs1)N1N=C(c2ccccc2O)C[C@@H]1c1ccco1	11692684	IQGWRHCCSNMNJV-CQSZACIVSA-N	338.388	4.038	10	40	EICB	
Cc1cccc(/N=N/c2c(N)nn3c(-c4ccccc4)cc(O)nc23)c1	3848942	JASDZQNGXZXNOT-GHVJWSGMSA-N	344.378	4.408	10	40	EICB	
Cc1ccc(N(C)CCNC(=S)Nc2ccc(Cl)cc2)cc1	225795062	JYYIYDDQTAVYPB-UHFFFAOYSA-N	333.888	4.071	10	40	EICB	
COC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCCC3	550385	VJARBRQKIXRNIY-UHFFFAOYSA-N	344.461	4.272	10	40	EICB	
CCCN1C(=O)S/C(=C\c2cc(F)c(N3CCCC3)cc2C)C1=O	5978708	QVMUKIIJPZJQPN-WJDWOHSUSA-N	348.443	4.181	10	40	EICB	
c1ccc(C2=N[C@@H]3Nc4ccccc4N[C@@H]3N=C2c2ccccc2)cc1	18210714	QZJQOGGGPGHEAQ-SZPZYZBQSA-N	338.414	4.168	10	40	EICB	
Cc1cc(C(=O)NCCc2cccc(F)c2)c(C)n1-c1ccccc1	24319870	TWNZRIFZHBUJRE-UHFFFAOYSA-N	336.410	4.206	10	40	EICB	
COc1cccc(-n2c(C)cc(C(=O)Nc3ccc(C)cn3)c2C)c1	59849656	LYBKWSBVDRIVPW-UHFFFAOYSA-N	335.407	4.058	10	40	EICB	
O=S(=O)(O)c1ccc(/N=N\c2ccccc2)c2c(O)cccc12	100368164	BDGXTLNETVWTNN-ZCXUNETKSA-N	328.349	4.208	10	40	EICB	
Cc1ccc(C)c(-n2c(C)cc(/C=C3\SC(=O)N(C)C3=O)c2C)c1	408817218	XHXPWZXVBGMZTI-YVLHZVERSA-N	340.448	4.377	10	40	EICB	
COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccncc1)N2	409150938	FFWSBZAYRWJHGG-PBFPGSCMSA-N	340.810	4.348	10	40	EICB	
Cc1ccc(/C=C2\C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc1	509382	QEBFRVGOJHWHJK-PHMXDFFTSA-N	345.427	4.299	10	40	EICB	
CCOc1c(/N=N\c2ccccc2OC)c(C)nn1C(=S)S	104241147	JOJUHZIKAMVENH-NXVVXOECSA-N	336.442	4.077	10	40	EICB	
O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(/N=N/c2ccccc2)cc1	253564666	GTYCANGKLPVQAW-HBWILYOLSA-N	343.386	4.414	10	40	EICB	
O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccncc1)N2	409153565	MCKZPARZWHIPCC-DVOMOZLQSA-N	327.771	4.470	10	40	EICB	
COc1ccccc1N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S	1248798	JJAGDUQPFNKARS-GDNBJRDFSA-N	345.420	4.240	10	40	EICB	
O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1c1cccc(O)c1	1297967	GVZJXROGQXXXMJ-ZSOIEALJSA-N	347.848	4.451	10	40	EICB	
O=c1[nH]c(-c2sc3ccccc3c2O)nc2cc(Cl)ccc12	6585717	WSJZEJZHHBKDKH-UHFFFAOYSA-N	328.780	4.164	10	40	EICB	
Cc1ccc(/C=C2\SC(=S)N(CN3CCCC[C@@H]3C)C2=O)cc1	59474356	ZYVAHAXHOKXWBI-HNDQUVLASA-N	346.521	4.028	10	40	EICB	
CSc1ccc(/C=C2/SC(NC3CCCCC3)=NC2=O)cc1	96669689	PTFWDXYYDXJLNP-RVDMUPIBSA-N	332.494	4.301	10	40	EICB	
Cc1ccn2c(Nc3ccc4c(c3)OCO4)c(-c3ccco3)nc2c1	3909855	GJCYVPMECYVOKJ-UHFFFAOYSA-N	333.347	4.375	10	40	EICB	aggregator
COc1cccc(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)c1	6793150	YHDMEMOOFCBHJF-UHFFFAOYSA-N	343.382	4.082	10	40	EICB	
Cc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1	16291514	ADTNPZGLVFOSSP-WJDWOHSUSA-N	325.458	4.396	10	40	EICB	
Cc1ccc(NC(=S)NCc2ccc(N3CCCC3)cc2)c(C)c1	41744933	VKHUYZGUJOKMRV-UHFFFAOYSA-N	339.508	4.390	10	40	EICB	
Cc1ccc(NC(=S)NCCCN2CCCc3ccccc32)cc1	225744641	ZBBXZGNIJQBOLA-UHFFFAOYSA-N	339.508	4.124	10	40	EICB	
CCCCN1C(=O)S/C(=C\c2ccc(N(CC)CC)cc2)C1=O	409056694	HUQAHXMOXSTPRQ-SSZFMOIBSA-N	332.469	4.369	10	40	EICB	
[N-]=[N+]=NCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccccc1	102828609	OPKXLGTVFDSERR-MRXNPFEDSA-N	339.786	4.328	10	40	EICB	
CSc1cccc(N2C(=O)/C(=C\c3ccc[nH]3)SC2=S)c1	409334979	XEQUCGOVRYCSPY-MDWZMJQESA-N	332.475	4.142	10	40	EICB	
CCCC1=NN2C(=N)/C(=C/c3cccc4ccccc34)C(=O)N=C2S1	107012	RUOBDXCBLDSREI-ZRSPDKKLSA-N	348.431	4.259	10	40	EICB	
C[C@@H]1Cc2cc(/C=C3/SC(=S)N(C4CCCC4)C3=O)ccc2O1	2435194	HSZVXVYOUBJQAX-HPUUJOOBSA-N	345.489	4.154	10	40	EICB	
O=C(O)c1cccc2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21	4714152	SLZXXWORYGGPLE-ZQIUZPCESA-N	336.347	4.120	10	40	EICB	
Cc1cccc(COc2ccccc2/C=C2\SC(=S)NC2=O)c1	13943558	BBXBMBDPYRFUML-YBEGLDIGSA-N	341.457	4.063	10	40	EICB	
O=C1/C(=C\c2cccc(F)c2)SC(=S)N1c1ccccc1F	16672923	RSBICGBLPFEQIK-NTEUORMPSA-N	333.384	4.371	10	40	EICB	
Cc1cccc([C@H](Nc2ccccn2)c2ccc3cccnc3c2O)n1	19842989	JSLNGYONZXJHGQ-HXUWFJFHSA-N	342.402	4.240	10	40	EICB	
CCc1ccc(N2C(=O)/C(=C\c3cccnc3)SC2=S)cc1	35041498	RLKICWOMMGSISA-XNTDXEJSSA-N	326.446	4.050	10	40	EICB	
CC(C)N1C(=O)/C(=C/c2ccccc2Br)SC1=S	4690076	PTGJODGHRYBXPY-XFFZJAGNSA-N	342.283	4.059	10	40	EICB	
Oc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccncc2)cc1	102907370	PULUYYLFTLPVFL-PZJWPPBQSA-N	343.386	4.030	10	40	EICB	
Cc1cccc(NC(=S)NCc2ccc(N3CCCCC3)cc2)c1	225414998	DJGSMBRPLZVBFD-UHFFFAOYSA-N	339.508	4.472	10	40	EICB	
CC(/C=C1\SC(Nc2ccccc2O)=NC1=O)=C\c1ccccc1	16711611	LHVCWIROHIILMV-YMGXUNRSSA-N	336.416	4.421	10	40	EICB	
Nc1ccc(CNC(=O)OC2c3ccccc3-c3ccccc32)cc1	255188762	LMJDSBBEYPXMIX-UHFFFAOYSA-N	330.387	4.265	10	40	EICB	
Cc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)o1	4598792	JPSGYNZPGUVMIP-XMHGGMMESA-N	328.371	4.423	10	40	EICB	
Cn1cc(/C=C2\SC(=S)N(C(C)(C)C)C2=O)c2ccccc21	5371521	CBITVZGLLWXQER-ZROIWOOFSA-N	330.478	4.178	10	40	EICB	
[N-]=[N+]=NCc1cc2cccc(I)c2nc1Cl	685937062	IIHYYKKMPUPEDV-UHFFFAOYSA-N	344.543	4.303	10	40	EICB	
Cc1ccc(N2C(=O)/C(=C/c3cccn3C)SC2=S)cc1C	2393061	NQUCYQJXJFYDHW-GDNBJRDFSA-N	328.462	4.048	10	40	EICB	
Cc1cccc(/N=N/c2c(N)nn3c(C(F)(F)F)cc(C)nc23)c1	3848771	LBPWGKNIUBNONS-QURGRASLSA-N	334.305	4.363	10	40	EICB	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(Br)s1	13120244	OAJKHSVQAPNONI-LCYFTJDESA-N	347.237	4.317	10	40	EICB	
COc1cc(/N=N/c2ccc(C(=O)OC(C)C)cc2)cc(C=O)c1O	70462738	VAWORTZSDXBMBK-FMQUCBEESA-N	342.351	4.194	10	40	EICB	
Clc1ccc2oc(/C=C/c3ccc(N4CCOCC4)cc3)nc2c1	8719578	UQQWZFQCHUSDFE-FPYGCLRLSA-N	340.810	4.488	10	40	EICB	
CCc1ccccc1NC1=NC(=O)/C(=C\c2ccccc2F)S1	35043273	JCYGJHMYMOCXGG-LFIBNONCSA-N	326.396	4.471	10	40	EICB	
CCOc1ccc(NC2=NC(=O)/C(=C\c3ccccc3F)S2)cc1	35647242	XVIGQIYGBANMHK-LFIBNONCSA-N	342.395	4.307	10	40	EICB	
Fc1ccc(NC(=S)NCc2ccc(N3CCCCC3)cc2)cc1	225416203	YSMPGAMGCPJYMF-UHFFFAOYSA-N	343.471	4.303	10	40	EICB	
Cc1cc(C(=O)CSc2nncs2)c(C)n1-c1ccccc1F	6534287	VREPUFFRWYHMBZ-UHFFFAOYSA-N	347.440	4.060	10	40	EICB	
CC(C)N1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2O)SC1=S	36613183	DASBQBTYVOACIY-WMZJFQQLSA-N	348.276	4.309	10	40	EICB	
Cc1c(O)c(CN2CCC[C@@H](C)C2)cc2c1oc(=O)c1ccccc12	5071563	MXUUGTAPKAJVPF-CYBMUJFWSA-N	337.419	4.192	10	40	EICB	
Cc1ccccc1NC1=NC(=O)/C(=C/c2cc(Cl)ccc2O)S1	59459375	LRVFXXSYRILKNM-DHDCSXOGSA-N	344.823	4.436	10	40	EICB	
CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1cccc(C(F)(F)F)c1	100148687	JOOQNNLVTJBLDE-LFIBNONCSA-N	345.324	4.424	10	40	EICB	
O=C1/C(=C\c2ccccc2F)SC(=S)N1CNc1ccccc1	408822124	FJLZAECTGDBYOY-XNTDXEJSSA-N	344.436	4.097	10	40	EICB	
O=C(O)c1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@H](c1ccccn1)N2	4168298	UOOMRAKLNOZSDI-XMZIXOGTSA-N	326.783	4.260	10	40	EICB	
O=C(O)[C@@H](Cc1ccccc1)Nc1c2ccccc2nc2ccccc12	5531393	LZDIPJARGCCMBS-HXUWFJFHSA-N	342.398	4.496	10	40	EICB	
COc1ccccc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O	13712019	XKTVZFGICBABNX-WJDWOHSUSA-N	341.457	4.097	10	40	EICB	
Cc1ccc(O)c(CN(CCCn2ccnc2)C[C@@H]2CC=CCC2)c1	36740229	NTOKJWFWFNELKB-LJQANCHMSA-N	339.483	4.146	10	40	EICB	
CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(C(=O)O)cc1)N2	4140548	NXZMPSFMEMOYEX-QKLQHJQFSA-N	333.387	4.414	10	40	EICB	
Cc1ccc(C(=O)COC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1	7468214	CZZLDSSBKOJEPH-UHFFFAOYSA-N	347.414	4.442	10	40	EICB	
CC[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccccc2O)N3)C1	6603567	IJAPEORMUPRGSM-HWPZZCPQSA-N	328.437	4.398	10	40	EICB	
Cc1cccc(N[C@@H](c2ccccn2)c2ccc3cccnc3c2O)n1	19794066	KRJJOESORRXLIL-HXUWFJFHSA-N	342.402	4.240	10	40	EICB	
Cc1ccc(/C=C2\SC(=S)N(c3cccnc3)C2=O)cc1C	40139652	ONESSLDTAAJXAC-DHDCSXOGSA-N	326.446	4.104	10	40	EICB	
Cc1[nH]c2ccccc2c1C(=O)NCc1ccc(N2CCCCC2)cc1	62224627	AIWYGEZACDOMCE-UHFFFAOYSA-N	347.462	4.397	10	40	EICB	
COc1ccc(N2N=C(C)/C(=C(\C)Nc3ccc(C)cc3)C2=O)cc1	112112155	GQBBCWZUJAWQRX-RGEXLXHISA-N	335.407	4.112	10	40	EICB	
O=C(O)c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1	4959405	HCIYEXVHIYQVBY-DAYGRLMNSA-N	336.347	4.120	10	40	EICB	
O=C1N=C(NC2CCCC2)S/C1=C\c1ccccc1C(F)(F)F	13524819	AQPLCTTVYGWHSA-LCYFTJDESA-N	340.370	4.208	10	40	EICB	
CCN(CC)c1ccc(CNC(=O)Cc2ccccc2Cl)cc1	225443881	NUFBMVSWBIXKRP-UHFFFAOYSA-N	330.859	4.045	10	40	EICB	
COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1cccc(C)c1	408587173	RPSHAKCPKDBWPE-UYRXBGFRSA-N	347.414	4.181	10	40	EICB	
Cc1cc(NS(=O)(=O)c2ccccc2)c(C(C)C)c(Cl)c1O	65431	FPMUWLLQWSYUSS-UHFFFAOYSA-N	339.844	4.278	10	40	EICB	
COc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1	17373677	OWNHXUOXVIGEPW-WJDWOHSUSA-N	341.457	4.097	10	40	EICB	
CCCn1c(CCC(=O)O)ccc1-c1ccc(Br)cc1	559544	KXWVDVWPAICGTP-UHFFFAOYSA-N	336.229	4.345	10	40	EICB	
NN1C(=O)/C(=C/c2c3ccccc3cc3ccccc23)SC1=S	5777216	MUCHRARJRZEKAI-YBEGLDIGSA-N	336.441	4.068	10	40	EICB	
O=C1N=C(Nc2cccc3ccccc23)S/C1=C\c1cccnc1	8436647	IGMNXVGAQOUCAN-BOPFTXTBSA-N	331.400	4.317	10	40	EICB	
C[C@@H]1CC[C@@H]2[C@@H](O1)c1cc(O)c(CN3CCCC3)cc1OC2(C)C	257248878	JFQQLNUTZJZPOQ-NRXGSXMXSA-N	331.456	4.015	10	40	EICB	
CCN1C(=O)/C(=C/c2cn(C(C)C)c3ccccc23)SC1=S	409340298	UJTNWGKOYPJSLI-DHDCSXOGSA-N	330.478	4.443	10	40	EICB	
O=C(NCc1ccc(N2CCCCC2)cc1)c1cccc(Cl)c1	10113061	WSLLMJZULMOIEQ-UHFFFAOYSA-N	328.843	4.260	10	40	EICB	
COc1cc(Cl)cc(/C=C2\SC(c3ccccc3)=NC2=O)c1O	12418314	GLHVXTUPIGWXRE-ZSOIEALJSA-N	345.807	4.115	10	40	EICB	
CC1CCN([C@@H](c2ccncc2)c2ccc3cccnc3c2O)CC1	20192174	GPBNJFBTIOIRGK-FQEVSTJZSA-N	333.435	4.157	10	40	EICB	
Cc1ccc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCO3)o1	3906239	GRVANFRSDFKADJ-UHFFFAOYSA-N	333.347	4.375	10	40	EICB	
O=C(/C=C/c1ccc(N2CCCCCC2)cc1)Nc1nccs1	6832136	HRRSLGFJCHWOIR-JXMROGBWSA-N	327.453	4.175	10	40	EICB	
CN(Cc1ccccc1O)C(=O)Nc1ncc(-c2ccccc2)s1	47387696	BLCQDNBFBFFPFK-UHFFFAOYSA-N	339.420	4.180	10	40	EICB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3/SC(=O)NC3=O)cc21	208472578	IVNGOLVXACRPIJ-MKMNVTDBSA-N	348.855	4.296	10	40	EICB	
CC[n+]1c(-c2ccccc2)csc1Nc1ccc(NC(C)=O)cc1	1496828	DVEPDEZIUMMEQU-UHFFFAOYSA-O	338.456	4.425	10	40	EICB	
CCOc1ccc(N/C=C2\C(=O)N(c3ccc(C)cc3)N=C2C)cc1	59838407	DRLCFRGEHMAVJM-UYRXBGFRSA-N	335.407	4.112	10	40	EICB	
CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NC1CCCC1	112113037	FCAHDENPRJIWSX-RGEXLXHISA-N	341.455	4.004	10	40	EICB	
Cc1cc2c(cc1/C=C1/SC(=S)NC1=O)[C@@H](C)CC(C)(C)N2C	208233629	ZTBRLJRGAHMFGA-UXYFDLPDSA-N	346.521	4.206	10	40	EICB	
CCN1c2ccc(/C=C3/SC(=O)NC3=O)cc2[C@@H](C)CC1(C)C	223532146	KDBZSMZWDAZKBC-ZRRZQRFHSA-N	330.453	4.123	10	40	EICB	
COc1cccc([C@H]2N=C(O)c3c(sc4c3CC[C@H](C)C4)N2)c1O	6469149	FSPZVTJCMUFTQW-FVMDXXJSSA-N	344.436	4.016	10	40	EICB	
Cc1ccc(N2C(=O)/C(=C/Nc3ccccc3O)SC2=S)cc1	618255164	QEFXYAPHOCUEAK-GDNBJRDFSA-N	342.445	4.019	10	40	EICB	
CCOc1ccc(N2C(=O)/C(=C/c3ccccc3)SC2=S)cc1	1297985	RNSNPXNFCHTVML-VBKFSLOCSA-N	341.457	4.491	10	40	EICB	
O=C(O)c1ccc([C@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1	4959404	HCIYEXVHIYQVBY-HDMKZQKVSA-N	336.347	4.120	10	40	EICB	
CC(C)=CCc1c(O)ccc2c(=O)cc(-c3ccc(O)c(O)c3)oc12	14819385	MXLIDQIPMAHDLB-UHFFFAOYSA-N	338.359	4.086	10	40	EICB	biogenic
CC1=NN(c2ccccc2)C(=S)/C1=C\Nc1ccc([N+](=O)[O-])cc1	100724511	UMHWQFMCMLISSD-WJDWOHSUSA-N	338.392	4.114	10	40	EICB	
C[C@H](NC(=S)Nc1ccncc1)c1ccc(N2CCCCC2)cc1	225666824	MCXUPKKJQDZNLW-HNNXBMFYSA-N	340.496	4.120	10	40	EICB	
CCN1C(=O)/C(=C/c2cccn2-c2cccc(C)c2)SC1=S	409379020	UEZNLQURBDOXIY-PTNGSMBKSA-N	328.462	4.007	10	40	EICB	
C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2cccc(O)c2)SC1=S	4680070	JBAJXIBYDIWZOC-IEMQHYRPSA-N	341.457	4.355	10	40	EICB	
Cn1cc(/C=C2/SC(=S)N(C(C)(C)C)C2=O)c2ccccc21	35040076	CBITVZGLLWXQER-NTEUORMPSA-N	330.478	4.178	10	40	EICB	
CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C/NCc1cccs1	100111173	AFVAYYZZCVNVKR-FOWTUZBSSA-N	343.427	4.064	10	40	EICB	
Cc1ccc(C(=O)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(Cl)c1	409204885	LQAJUZVQYLDKDM-UHFFFAOYSA-N	338.146	4.276	10	40	EICB	
CCc1cc(=O)oc2c(CN3CCCC[C@H]3CC)c(O)c(Cl)cc12	20323933	IGAOLRKTALBPMO-CYBMUJFWSA-N	349.858	4.479	10	40	EICB	
COc1ccccc1NC(=S)Nc1cccc(N2CCCCC2)c1	63671589	FBCPJRGGNRWEJL-UHFFFAOYSA-N	341.480	4.494	10	40	EICB	
CCCOC(=O)c1cccc(/N=N/c2ccc(O)c(C(=O)O)c2)c1	70462693	BBDMYJBJEOMUMV-VHEBQXMUSA-N	328.324	4.073	10	40	EICB	
COc1ccccc1/C=C1/SC(Nc2ccc(Cl)cc2)=NC1=O	521965	LVBDHBZEWQIPSL-XNTDXEJSSA-N	344.823	4.431	10	40	EICB	
O=C1/C(=C/c2cccc(F)c2)SC(=S)N1c1ccc(F)cc1	1763562	WTBWZRGGRWIKPD-ZROIWOOFSA-N	333.384	4.371	10	40	EICB	
CCCCCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)SC1=S	2672601	MEHHEVQVSCOIPK-QINSGFPZSA-N	334.510	4.144	10	40	EICB	
C[C@@H](Sc1nccs1)C(=O)Nc1ccccc1C(F)(F)F	52914141	FVEHOKCVRCSRNF-MRVPVSSYSA-N	332.372	4.281	10	40	EICB	
C[C@H](NC(=O)NC1CCCCC1)c1ccc(N2CCCCC2)cc1	225757205	HDFCAUSVQXVNPD-INIZCTEOSA-N	329.488	4.370	10	40	EICB	
O=C1/C(=C/c2ccccc2[N+](=O)[O-])SC(=S)N1C1CCCCC1	409348257	RXMUCFTZEBFEQZ-UVTDQMKNSA-N	348.449	4.129	10	40	EICB	
CCCCC(=O)N[C@@H](c1ccccc1)c1ccc2cccnc2c1O	3894212	CVIIJBCJKCLLCV-IBGZPJMESA-N	334.419	4.336	10	40	EICB	biogenic
O=C(O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1[N+](=O)[O-])N2	4640853	GHKHTCDNBJXQBZ-VEVIJQCQSA-N	336.347	4.120	10	40	EICB	
CCOc1cc2c(cc1OCC)[C@@H](c1cc(Cl)ccc1O)NCC2	19847946	BCFBJGOOAHACFI-IBGZPJMESA-N	347.842	4.078	10	40	EICB	
Cc1ccnc(NC(=S)N[C@H](C)c2ccc(N3CCCC3)cc2)c1	225697073	JOSVTDUAXAJICF-OAHLLOKOSA-N	340.496	4.038	10	40	EICB	
O=C1/C(=C/c2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccccc1	1089946	OZOSVBVITYOLAW-UVTDQMKNSA-N	342.401	4.001	10	40	EICB	
CCNc1ccc(/N=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc1	100509750	KMEDWEBXYFFHFO-QURGRASLSA-N	335.411	4.332	10	40	EICB	
CCOC(=O)c1cc(-c2ccccc2)n(-c2ccc(C(=O)O)cc2)c1C	4638809	BUJVUPVCMDIDAQ-UHFFFAOYSA-N	349.386	4.328	10	40	EICB	
O=Cc1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1	5375055	FDORLFVMGRVENT-GDNBJRDFSA-N	331.462	4.033	10	40	EICB	
CCN(CC)c1ccc(/N=N/c2ccc(C(=O)O)c(C(=O)O)c2)cc1	5321847	DAWFNCWIUFRMFM-FMQUCBEESA-N	341.367	4.345	10	40	EICB	
COc1ccccc1/C=C1/SC(Nc2ccc(C)c(C)c2)=NC1=O	16663118	YQESILPVNQPFNB-GZTJUZNOSA-N	338.432	4.394	10	40	EICB	
O=C1/C(=C\c2ccccc2)N=C(c2ccccc2)N1c1ccc(O)cc1	1091160	RNLKLNRRJIILJA-HMMYKYKNSA-N	340.382	4.227	10	40	EICB	
Cc1cc(C(=O)N2CCc3ccccc32)c(C)n1-c1ccccc1F	32906143	PQYBXCLOUXQIHR-UHFFFAOYSA-N	334.394	4.436	10	40	EICB	
COc1ccccc1-n1c(CCC(=O)O)ccc1-c1ccc(C)cc1	99254	WUSDIPVLPKKNJP-UHFFFAOYSA-N	335.403	4.479	10	40	EICB	
COc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc1	3137267	QDBYNJYDFDPHLN-WJDWOHSUSA-N	341.457	4.409	10	40	EICB	
O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])N2	58837595	RNSZNWMMNOMXEA-FHSNZYRGSA-N	337.335	4.330	10	40	EICB	
CCc1ccc(C2=NN(C(C)=O)[C@H](c3ccc(N(C)C)cc3)C2)cc1	58196717	UTDBPRJPWVZQEI-NRFANRHFSA-N	335.451	4.013	10	40	EICB	
Cc1noc(C)c1NC(=O)N(Cc1ccccc1O)C1CCCCC1	69700380	IGFBFHWGNLCSKZ-UHFFFAOYSA-N	343.427	4.364	10	40	EICB	
CCc1cccc2c(C3=CCN(c4ccc([N+](=O)[O-])cn4)CC3)c[nH]c12	14244948	QQWQBGKJGOEESQ-UHFFFAOYSA-N	348.406	4.327	10	40	EICB	
O=C1OC(c2cccc3ccccc23)=C/C1=C1\OC(=O)c2ccccc21	32115770	YDJOSLXZNQLXCH-CZIZESTLSA-N	340.334	4.319	10	40	EICB	
CCN(CC)c1ccc(CNC(=O)[C@@H](C)Sc2ccccc2)cc1	222918675	YCONURYNKARYSS-MRXNPFEDSA-N	342.508	4.330	10	40	EICB	
O=C1/C(=C\c2ccc(O)c(Cl)c2)SC(=S)N1c1ccccc1	408902214	MALORNFERSVAAV-NTEUORMPSA-N	347.848	4.451	10	40	EICB	
COc1ccc(N(C)Cc2cc(-c3cccs3)on2)cc1OC	63617010	PYRMZZNIOIQTLZ-UHFFFAOYSA-N	330.409	4.057	10	40	EICB	
CN(Cc1ccccc1O)C(=O)Cc1coc2ccc3ccccc3c12	42116737	GRXSNXRKWPJMMX-UHFFFAOYSA-N	345.398	4.493	10	40	EICB	
CCN(CC)c1ccc(CN(C)C(=O)c2ccc3ccccc3n2)cc1	9932433	ODSXFXONWXESCO-UHFFFAOYSA-N	347.462	4.353	10	40	EICB	
N[C@@H](c1ccc(Br)cc1)c1c(O)ccc2ccccc12	32098972	LHJGZPQOUAARIZ-KRWDZBQOSA-N	328.209	4.356	10	40	EICB	
Cc1cccc2[nH]cc(C3=CCN(c4ccc([N+](=O)[O-])cn4)CC3)c12	40139292	OGRGSBSRQQNKQI-UHFFFAOYSA-N	334.379	4.073	10	40	EICB	
COc1ccc(/C=C2\C=C(c3ccc(C)c(C)c3)OC2=O)c(OC)c1	409052117	QLOXNGDKTOVNSQ-LICLKQGHSA-N	336.387	4.302	10	40	EICB	
O=C(O)c1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccccc1)[C@H]1CC=C[C@H]21	4859596	PGPYRHJVANSWEO-DCGLDWPTSA-N	336.347	4.120	10	40	EICB	
COc1ccc(-c2ccc3c(N)c(C(=O)OC(C)C)sc3n2)cc1	6858945	GUVKWMFBHQUPQE-UHFFFAOYSA-N	342.420	4.119	10	40	EICB	
Cc1c(Cl)cccc1NC1=NC(=O)/C(=C/c2cccc(O)c2)S1	33837815	XRNMPBVCRUQGOL-DHDCSXOGSA-N	344.823	4.436	10	40	EICB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cccc(Br)c1	100147862	GHFRAENFULXQGA-LFIBNONCSA-N	341.208	4.255	10	40	EICB	
CCN1C(=O)/C(=C/c2cc(Cl)c(OC)c(Cl)c2)SC1=S	1204479	DYVLFFROFFSUQL-POHAHGRESA-N	348.276	4.223	10	40	EICB	
Cc1ccc2nc(-c3ccccn3)c(Nc3ccc4c(c3)OCO4)n2c1	3909820	DRRJVHZYIASMAZ-UHFFFAOYSA-N	344.374	4.177	10	40	EICB	
Cn1cccc1/C=C1\SC(=S)N(c2ccccc2Cl)C1=O	13768620	IVVVAWLBEOYUNP-LCYFTJDESA-N	334.853	4.084	10	40	EICB	
COc1ccc(N2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)cc1	1232252	KIWCROIEUJZDSB-GDNBJRDFSA-N	345.420	4.240	10	40	EICB	
Cc1ccc(NC(=S)NCCCN(C)c2ccccc2)c(C)c1	16243523	OMFARCHSLFIYLK-UHFFFAOYSA-N	327.497	4.116	10	40	EICB	
Cc1c(C(=O)O)ccc2c1N[C@@H](c1ccc3c(c1)OCO3)[C@H]1CC=C[C@@H]21	408841194	JNWYBDYBOFPRLC-SIFCLUCFSA-N	349.386	4.248	10	40	EICB	
CC(=O)c1cc(F)cc(CN(Cc2ccc(F)cc2)C2CC2)c1O	72312038	JFJMBFPIORMKNW-UHFFFAOYSA-N	331.362	4.038	10	40	EICB	
CCN(CC)c1ccc(CNC(=O)/C=C/c2ccc(F)cc2)cc1	224940450	KJVHXWMOJMBYRT-NTEUORMPSA-N	326.415	4.002	10	40	EICB	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(N(C)C)cc1	5247939	MVZHBBXHRCHRIR-WQRHYEAKSA-N	339.826	4.212	10	40	EICB	
CSC(=S)n1nc(C)c(/N=N/c2ccccc2[N+](=O)[O-])c1C	17129928	QPBXPFRYXCVYHO-CCEZHUSRSA-N	335.414	4.320	10	40	EICB	
CCOc1ccccc1/C=C1/SC(=S)N(c2ccccc2)C1=O	96505038	GMBCEQLABQYZKN-FOWTUZBSSA-N	341.457	4.491	10	40	EICB	
Cc1cc(CN2CCn3cccc3[C@H]2c2ccccc2)ccc1N(C)C	1559608713	YTFCEADKKVURIS-HSZRJFAPSA-N	345.490	4.468	10	40	EICB	
COc1cccc(/C=C2/C(=O)N(c3cccc(Cl)c3C)N=C2C)c1	368190	WVDIJSRHPHIAIP-LFIBNONCSA-N	340.810	4.463	10	40	EICB	
O=C1NC(=S)S/C1=C\c1cc(/N=N/c2ccccc2)ccc1O	103305787	KTPJNMCGSNXXTD-DXMVAZHNSA-N	341.417	4.296	10	40	EICB	
O=[N+]([O-])c1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@H](c1ccccn1)N2	802424	UWMDMCQMWLCEGN-LYOVBCGYSA-N	327.771	4.470	10	40	EICB	
COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccc(C)cc1	13810066	JDWOVWICAZRHHD-AQTBWJFISA-N	339.435	4.000	10	40	EICB	
Cc1ccc2oc([C@H]3CCN(Cc4ccc(N(C)C)cc4)C3)nc2c1	35446482	NNGSRGLIPNLASI-KRWDZBQOSA-N	335.451	4.192	10	40	EICB	biogenic,in-vitro
CCOC(=O)c1[nH]c2ccc(F)cc2c1/N=N/N1CCC(C)CC1	550438	HVQIOPMBYWPLIJ-QZQOTICOSA-N	332.379	4.214	10	40	EICB	
Nc1c(C(=O)Oc2ccccc2)sc2nc(-c3cccnc3)ccc12	13207212	VTGDNEKYKYEMGK-UHFFFAOYSA-N	347.399	4.160	10	40	EICB	
CC1=NN(c2ccccc2)C(=O)[C@@H]1Sc1nc2ccccc2s1	100988543	MSZZBCUCPJAOIO-OAHLLOKOSA-N	339.445	4.180	10	40	EICB	
Cn1c(/C=C2/SC(Nc3ccccc3)=NC2=O)cc2ccccc21	5374357	VGWNPABJUQSJIQ-SFQUDFHCSA-N	333.416	4.261	10	40	EICB	
C[C@@H]1CCc2sc(C(=O)N(C)Cc3ccc(N(C)C)cc3)cc2C1	18150383	NWJORPGLIWESSA-CQSZACIVSA-N	342.508	4.211	10	40	EICB	
COc1c(C)cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1C	409041012	ZPPYXBRVZZBJLK-ZSOIEALJSA-N	335.494	4.169	10	40	EICB	
CC(C)c1cc2c(c(O)c1O)[C@]13CCCC(C)(C)[C@H]1C[C@H]2OC3=O	968421	XUSYGBPHQBWGAD-JZKQVHKSSA-N	330.424	4.287	10	40	EICB	
Cc1cc(O)c(CN2CCN(c3ccccc3F)CC2)cc1C(C)C	3384654	PRUPEBZRVDEFQK-UHFFFAOYSA-N	342.458	4.285	10	40	EICB	
O=C1/C(=C/C=C/c2ccco2)SC(=S)N1c1ccc(F)cc1	13787451	FGEIQFUAKYXHLJ-NQDFZQDQSA-N	331.393	4.381	10	40	EICB	
O=C1/C(=C/c2cccs2)C(O)=NC(=S)N1c1ccccc1Cl	1244664	AHDHDPGWDOPSQO-CSKARUKUSA-N	348.836	4.073	10	40	EICB	
CC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2	4619126	AVXVXNKSLRNVSY-QKLQHJQFSA-N	349.390	4.380	10	40	EICB	
Cc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)o1	9188665	CBQRDIJDQPDBJU-PTNGSMBKSA-N	329.446	4.032	10	40	EICB	
Nc1ccc(/N=N\c2ccccc2)c2cc(S(=O)(=O)O)ccc12	17303086	GYHKIXZQDCKUPI-HNENSFHCSA-N	327.365	4.084	10	40	EICB	
Cc1cc(C(=O)Cn2ccc(C(F)(F)F)n2)c(C)n1-c1ccccc1	48362504	AVBDRDMLKWWZSQ-UHFFFAOYSA-N	347.340	4.192	10	40	EICB	
CCN(CC)c1ccc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)cc1	353422	RXAOAEUFYOTJHT-XMHGGMMESA-N	334.419	4.186	10	40	EICB	
COc1ccccc1NC1=NC(=O)/C(=C/c2c[nH]c3ccccc23)S1	5374491	YORPAZPEBQTJSA-YVLHZVERSA-N	349.415	4.259	10	40	EICB	
Cc1cc(C)c(S(=O)(=O)Nc2ccc(O)c3ccccc23)c(C)c1	189696	MECMFNMYRLUUAD-UHFFFAOYSA-N	341.432	4.271	10	40	EICB	
Cc1ccccc1N1C(=O)/C(=C/c2ccccc2O)SC1=S	3192125	JUUVJLBLSWSYHN-GDNBJRDFSA-N	327.430	4.106	10	40	EICB	
Cc1cc(O)c(CN(C)Cc2ccc3c(c2)OCO3)cc1C(C)C	14095425	SAQFWVUMOZQWES-UHFFFAOYSA-N	327.424	4.185	10	40	EICB	
Cc1ccc(C)n1-c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1	58850419	WHZVXVNNEQPFPE-UHFFFAOYSA-N	344.411	4.034	10	40	EICB	
Cc1ccc(O)c([C@H]2N=C(O)c3c(sc4c3CC[C@H](C)C4)N2)c1	4571296	WNLFYHSLWBHJPD-QFYYESIMSA-N	328.437	4.316	10	40	EICB	
CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1ccccc1Cl	5339900	JCOYUODHZVWRON-PTNGSMBKSA-N	325.799	4.367	10	40	EICB	
Cc1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)o1	7783392	GOSBACDCYAIKGY-UHFFFAOYSA-N	337.375	4.035	10	40	EICB	
CN1C(=O)c2ccccc2N[C@H]1c1ccc(N2CCCCCC2)cc1	24210727	DHFBYLWEYQIDNS-HXUWFJFHSA-N	335.451	4.263	10	40	EICB	
O=C(NCc1ccc(N2CCCC2)cc1)c1ccc2c(c1)CCCC2	225629060	HJKUMOIGQWQFDD-UHFFFAOYSA-N	334.463	4.096	10	40	EICB	
Cc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)o1	12614658	JPSGYNZPGUVMIP-RGEXLXHISA-N	328.371	4.423	10	40	EICB	
CCN1C(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)SC1=S	32594036	PEURXUXRSLWAJP-NTEUORMPSA-N	333.409	4.307	10	40	EICB	
CCCOc1ccccc1/C=C1/SC(N2CCCCCC2)=NC1=O	2292607	ALONRKKJLVBFEJ-SAPNQHFASA-N	344.480	4.322	10	40	EICB	
O=[N+]([O-])c1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@@H](c1ccccn1)N2	4454437	UWMDMCQMWLCEGN-USBNGQNGSA-N	327.771	4.470	10	40	EICB	
CCOC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccc(Cl)cc1	100249949	MIIVYOOIDDKQJL-VBKFSLOCSA-N	341.798	4.033	10	40	EICB	
CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(C(C)C)cc1	408935664	ILEBQEOJJQTUBM-CPNJWEJPSA-N	332.403	4.252	10	40	EICB	
CCN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2OC)SC1=S	49390998	HTWIXBUBBWTULO-YHYXMXQVSA-N	348.276	4.223	10	40	EICB	
CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)C1=O	409095174	HGEVXUDFEJDOKD-MHWRWJLKSA-N	344.411	4.289	10	40	EICB	
Cc1ccc(CN2C(=O)/C(=C/c3ccc(O)cc3)SC2=S)cc1	16292334	WJIXOOLNKFXPHS-YBEGLDIGSA-N	341.457	4.102	10	40	EICB	
Cc1ccc(C)c(NC(=S)NCc2ccc(N3CCCC3)cc2)c1	41744932	KHNJLLNMHBMJEK-UHFFFAOYSA-N	339.508	4.390	10	40	EICB	
Cc1ccc(SC2=CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1	1401703	JOCNFCTWRWAWKM-UHFFFAOYSA-N	329.808	4.198	10	40	EICB	
Oc1cc2c(cc1O)[C@@H](c1cccc(Oc3ccccc3)c1)NCC2	3722903	DIANRWDVZJCNAA-OAQYLSRUSA-N	333.387	4.125	10	40	EICB	
CC(C)NCc1c(O)c(Br)cc2oc3c(c12)CCCC3	20842308	QLPSQHQNKZDNLJ-UHFFFAOYSA-N	338.245	4.278	10	40	EICB	
CCc1ccc(N2C(=O)/C(=C\c3ccc(O)cc3)SC2=S)cc1	33939374	UNFMQKWGYMKIID-LFIBNONCSA-N	341.457	4.360	10	40	EICB	
CCOc1ccc(C(=O)NCc2ccc(N(CC)CC)cc2)cc1C	223005295	AEDXKXADFQSLBI-UHFFFAOYSA-N	340.467	4.170	10	40	EICB	
CC(C)c1cc(NS(=O)(=O)c2ccccc2)cc(C(C)C)c1O	8012	DHYMQCWZIWTKOJ-UHFFFAOYSA-N	333.453	4.440	10	40	EICB	
COc1ccc(-n2c(C)cc(C(=O)NCc3ccccc3)c2C)cc1	10741925	AIYBIWRQHPBLKZ-UHFFFAOYSA-N	334.419	4.033	10	40	EICB	
CCOc1ccccc1NC1=NC(=O)/C(=C\c2ccccc2F)S1	35647239	INPTTWNWKLIIFQ-LFIBNONCSA-N	342.395	4.307	10	40	EICB	
CC/C(C)=C1/SC(=S)N(C(=O)c2ccc(Cl)cc2)C1=O	3174320	WOVGKQMZMBPNSD-DHZHZOJOSA-N	325.842	4.025	10	40	EICB	
COc1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1	13616055	LIRLTLKXSIBPQQ-PTNGSMBKSA-N	333.478	4.229	10	40	EICB	
COc1ccc(N2N=C(C)/C(=C(\C)NC3CCCCCC3)C2=O)cc1	112113071	GZMSFESWJWZIRU-RGEXLXHISA-N	341.455	4.004	10	40	EICB	
CCN(CC)c1ccc(CNC(=O)Cc2ccc(Cl)cc2F)cc1	223899060	CPUUISLLBKKAPM-UHFFFAOYSA-N	348.849	4.184	10	40	EICB	
Oc1ccc(Br)cc1CNCc1ccc(Cl)cc1	76275406	RRFWQEDMPFUNSS-UHFFFAOYSA-N	326.621	4.098	10	40	EICB	
CCN(CC)c1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1	225382886	SHSVIDTWODHUAE-UHFFFAOYSA-N	330.859	4.045	10	40	EICB	
CC(=O)c1cccc(Nc2nc(-c3sc(N)nc3C)cs2)c1	4139493	YCDNHXBICNPJFK-UHFFFAOYSA-N	330.438	4.103	10	40	EICB	
Cc1ccc(-c2ccc(C=C3C(=O)OC(C)(C)OC3=O)o2)cc1Cl	5753954	VPFKXIIFWQVKMS-UHFFFAOYSA-N	346.766	4.128	10	40	EICB	
O=Cc1ccc(/C=C2/SC(Nc3ccccc3Cl)=NC2=O)cc1	139301287	BFPYHVSBBZBKFV-OQLLNIDSSA-N	342.807	4.235	10	40	EICB	
CCOc1ccc(N/C=C2/C(=O)N(c3ccc(C)c(C)c3)N=C2C)cc1	4359140	KJBKMANARWVXCI-DEDYPNTBSA-N	349.434	4.421	10	40	EICB	
Cc1cc(C)n2nc(N)c(/N=N/c3cccc(C(F)(F)F)c3)c2n1	4666083	SXOHTZSFLQBBEA-QURGRASLSA-N	334.305	4.363	10	40	EICB	
O=Cc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1	5375108	ATOVROXEAWIJHL-DHDCSXOGSA-N	343.404	4.044	10	40	EICB	
Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2)c(C(C)C)cc1O	5579183	ZOZBNJIZAFGLMM-UHFFFAOYSA-N	339.844	4.278	10	40	EICB	
Cc1nnc(SCC(=O)c2cc(C)n(-c3ccccc3)c2C)s1	6534248	VUYNMGXUYHXSGL-UHFFFAOYSA-N	343.477	4.229	10	40	EICB	
Oc1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@H]2c1ccco1	10215202	SFZXNFZLZIAUPV-JXFKEZNVSA-N	332.359	4.228	10	40	EICB	
O=C(O)c1ccccc1[C@@H]1Nc2c(cccc2[N+](=O)[O-])[C@@H]2C=CC[C@H]21	409165999	BSNHEYIIRLUXNP-PSTGCABASA-N	336.347	4.120	10	40	EICB	
COc1ccc(Cc2nc(-c3ccc(-n4cccc4)cc3)no2)cc1	1422152	FTDYXFIYFSZXIR-UHFFFAOYSA-N	331.375	4.127	10	40	EICB	
CN(C)c1ccc(/C(Br)=C2/OC(=O)c3ccccc32)cc1	1637747	VJOXYMUXYBFBOR-NXVVXOECSA-N	344.208	4.144	10	40	EICB	
CN(C)c1ccc(/C=C/c2nc3ccccc3s2)cc1[N+](=O)[O-]	5830599	WAGJHLJMYZRCTL-CSKARUKUSA-N	325.393	4.441	10	40	EICB	
Cc1ccc(CC(=O)NCc2ccc(N3CCCCC3)cc2)cc1C	218805657	DEPWFSWMYACATG-UHFFFAOYSA-N	336.479	4.153	10	40	EICB	
CCc1ccc(N2C(=O)/C(=C\c3ccccc3)C(C(=O)OC)=C2C)cc1	574477	IGMWBNNEZQYRNE-RGEXLXHISA-N	347.414	4.126	10	40	EICB	
CCOC(=O)c1[nH]c2ccc(F)cc2c1/N=N/N1CCCC[C@H]1C	524268	SHIYFCPHHSSVMK-PQOIGDABSA-N	332.379	4.357	10	40	EICB	
COc1ccccc1C[C@H]1CCCN1Cc1cc2c(cc1O)CCC2	58540085	VVNVXCMDZDJYPQ-HXUWFJFHSA-N	337.463	4.097	10	40	EICB	
O=C1CSC(C(/N=N\c2ccccc2)=C2Nc3ccccc3N2)=N1	17217281	CEAZXIZXGUFSOF-DQRAZIAOSA-N	335.392	4.149	10	40	EICB	
CCCN1C(=O)/C(=C\c2ccc(OCC(C)C)cc2)SC1=S	409328785	ATGAKYSWVUGEOU-XNTDXEJSSA-N	335.494	4.333	10	40	EICB	
CCCCC(=O)N[C@H](c1ccccc1)c1ccc2cccnc2c1O	3894213	CVIIJBCJKCLLCV-LJQANCHMSA-N	334.419	4.336	10	40	EICB	biogenic
O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccncc1)N2	409153051	CLKRLRUVGZLXQF-BFQNTYOBSA-N	327.771	4.470	10	40	EICB	
CC(C)CC1=NN2C(=N)/C(=C/c3cccc(Cl)c3)C(=O)N=C2S1	121402	GNCDABKTNILNAX-PEMMUPCOSA-N	346.843	4.005	10	40	EICB	
c1ccc(-c2cnc(SC[C@@H]3CCCO3)n2C[C@@H]2CCCO2)cc1	54774260	KSGKQZFUZYVEAW-IRXDYDNUSA-N	344.480	4.000	10	40	EICB	
CCCN1C(=O)/C(=C/c2ccccc2OCC(C)C)SC1=S	408604486	UVROIJFIYPKWFJ-GDNBJRDFSA-N	335.494	4.333	10	40	EICB	
CCCC(=O)N[C@@H](c1ccc(C)cc1)c1ccc2cccnc2c1O	102661	YLHAGZFGLRYNET-IBGZPJMESA-N	334.419	4.255	10	40	EICB	
CC(=O)c1cccc(N2C(=O)/C(=C\c3ccccc3)SC2=S)c1	35038675	NZSZZFKQIOKNJS-MHWRWJLKSA-N	339.441	4.295	10	40	EICB	
CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCc1ccccc1	103917796	OAPGFGFRWRZTNN-SILNSSARSA-N	333.435	4.253	10	40	EICB	
O=C1/C(=C\Nc2ccccc2)SC(=S)N1CCc1ccccc1	13286395	QZCBMBIICRSACR-DTQAZKPQSA-N	340.473	4.043	10	40	EICB	
COc1cc([N+](=O)[O-])cc2c1N[C@@H]([C@@H]1CC=CCC1)[C@H]1CC=C[C@H]21	101151637	PSPLPPYNGLDIRF-FHIHXZLISA-N	326.396	4.414	10	40	EICB	
Oc1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@H]2c1ccncc1	6721619	PFAGYMBTGNNLCN-RXVVDRJESA-N	343.386	4.030	10	40	EICB	
Cc1ccnc(N[C@H](c2ccccn2)c2ccc3cccnc3c2O)c1	19851403	IOQCYUYXGUSASM-FQEVSTJZSA-N	342.402	4.240	10	40	EICB	
c1ccc2c(CNCc3ccc(N4CCOCC4)cc3)csc2c1	69708356	HCNXVRXPLMXCBN-UHFFFAOYSA-N	338.476	4.028	10	40	EICB	
COc1ccc(N2CCO[C@@H]2c2ccn(-c3ccc(F)cc3)c2)cc1	216726765	CULGBJJONJSZOK-HXUWFJFHSA-N	338.382	4.160	10	40	EICB	
COC(=O)c1sc2nc(-c3ccccc3)c3c(c2c1N)CCCC3	2513376	UBUTZYDIZYOOSJ-UHFFFAOYSA-N	338.432	4.211	10	40	EICB	
O=C(O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2	4116905	LHSUTBGPVJHKPC-MPGHIAIKSA-N	336.347	4.120	10	40	EICB	
CC(=O)c1cccc(N2C(=O)/C(=C\c3cccs3)SC2=S)c1	5551844	HMXKTLDLHVPHME-NTEUORMPSA-N	345.470	4.357	10	40	EICB	
CCCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S	9188418	SZMSCMOWICYMNH-FLIBITNWSA-N	342.283	4.060	10	40	EICB	
CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1nc2ccccc2s1	102570061	FFDHAIULLLLAFF-SDNWHVSQSA-N	334.404	4.015	10	40	EICB	
CCN(CC)c1ccc(CNC(=O)c2ccc(OC(C)C)cc2)cc1	223368573	PLBBOBDELUYLDV-UHFFFAOYSA-N	340.467	4.250	10	40	EICB	
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1	207113	OVEFOIACWROHSX-WOJGMQOQSA-N	335.363	4.018	10	40	EICB	
O=[N+]([O-])c1ccc([C@H]2Nc3c(cccc3[N+](=O)[O-])[C@H]3C=CC[C@@H]32)cc1	4714161	YMVUKSQPEIRBPV-GRDNDAEWSA-N	337.335	4.330	10	40	EICB	
CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1C(=O)O)N2	409170446	VSEXDTHSMSHRCT-SIFCLUCFSA-N	333.387	4.414	10	40	EICB	
CSc1cccc(N2C(=O)/C(=C\c3cccnc3)SC2=S)c1	409343340	GJKKKCBRMRCXNA-RIYZIHGNSA-N	344.486	4.209	10	40	EICB	
Cc1ccc(NC2=NC(=O)/C(=C/c3cc(Cl)ccc3O)S2)cc1	59145661	ZCZCKDJRPANEPE-DHDCSXOGSA-N	344.823	4.436	10	40	EICB	
Cc1ccc(-n2c(C)cc(/C=C3\SC(=S)NC3=O)c2C)c(C)c1	408997129	RLKBNOGBQDPISE-SXGWCWSVSA-N	342.489	4.200	10	40	EICB	
Cc1ccnc(N[C@@H](c2ccccn2)c2ccc3cccnc3c2O)c1	19851401	IOQCYUYXGUSASM-HXUWFJFHSA-N	342.402	4.240	10	40	EICB	
Cc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCCC3)cc2)nc1	225696920	JIDXAAFTBOMMLD-HNNXBMFYSA-N	340.496	4.038	10	40	EICB	
Cc1ccccc1N1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S	5375066	CGXZPJLAXXZUHP-YBEGLDIGSA-N	339.441	4.213	10	40	EICB	
COc1ccc(N(C)Cc2csc(-c3ccccc3)n2)cc1OC	58157007	SVUIOKBTMFDAGX-UHFFFAOYSA-N	340.448	4.464	10	40	EICB	
Cc1ccccc1-n1nc(C)c(CN(C)Cc2ccccc2O)c1C	95457064	FDWYSGORFKAYGB-UHFFFAOYSA-N	335.451	4.135	10	40	EICB	
Cc1cc(C(=O)[C@@H](C)Sc2nccn2C)c(C)n1-c1ccccc1	5359558	WNESHIWAHQORQG-OAHLLOKOSA-N	339.464	4.191	10	40	EICB	
CC(C)(C)c1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)cc1	12436600	YUHLWPHSONRAES-SSZFMOIBSA-N	328.481	4.440	10	40	EICB	
COc1cccc(CNc2ncc(-c3ccc(Cl)cc3)n2C)c1O	4678444	FWIGYAFUBREDBU-UHFFFAOYSA-N	343.814	4.067	10	40	EICB	
Cc1ccc(NC2=NC(=O)/C(=C\c3ccc(N(C)C)cc3)S2)cc1	5140369	LEGZHSOCPCFNHJ-SFQUDFHCSA-N	337.448	4.143	10	40	EICB	
Cc1ccc(CSc2nnc3c(n2)OC=Nc2ccccc2-3)cc1	3656386	KKMPOSIMXFCNPH-UHFFFAOYSA-N	334.404	4.192	10	40	EICB	
CCCC(O)(CCC)C(=O)/N=N/c1c(O)n(CC)c2ccccc12	4553231	BSUSSHDDLIAKSK-FMQUCBEESA-N	331.416	4.308	10	40	EICB	
Cc1cc(/N=N/c2cccc(C(=O)OC(C)C)c2)cc(C(=O)O)c1O	70462723	SDWJCMRGUGFYRB-FMQUCBEESA-N	342.351	4.379	10	40	EICB	
O=C1CSC(C(/N=N/c2ccccc2)=C2Nc3ccccc3N2)=N1	102985955	CEAZXIZXGUFSOF-QURGRASLSA-N	335.392	4.149	10	40	EICB	
O=C(O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1cccnc1)N2	409156150	SETRVZNZKPJLKW-XHBSWPGZSA-N	326.783	4.260	10	40	EICB	
CCCN1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)SC1=S	409335016	YIPAOHWMAQAMLZ-DHZHZOJOSA-N	331.384	4.317	10	40	EICB	
O=C(Nc1ccc(/N=N/c2ccccc2)cc1)[C@@H]1CC(=O)N(C2CC2)C1	69830897	CCSLRAUHLPLYMJ-DGIAWOHRSA-N	348.406	4.051	10	40	EICB	
COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccccn1)N2	409151265	AUAZTKCYZSUNPY-QFSBIZTOSA-N	340.810	4.348	10	40	EICB	
O=C1/C(=C\c2cccc(F)c2)SC(=S)N1CCc1ccccc1	12438144	BWPDXDKPVUHCEO-FOWTUZBSSA-N	343.448	4.270	10	40	EICB	
Cc1ncc(/C=C/C(=O)N(Cc2cscn2)c2ccccc2)s1	78996523	JPVRUNWMEUNDPO-BQYQJAHWSA-N	341.461	4.155	10	40	EICB	
COc1ccc(Nc2c(-c3ccccn3)nc3cc(C)ccn23)cc1	4733969	FLOSMJAVYNUCCD-UHFFFAOYSA-N	330.391	4.457	10	40	EICB	
Cc1cccc(-n2c(C)cc(C(=O)CSc3nncs3)c2C)c1	48346260	LSMJALJEULIQTD-UHFFFAOYSA-N	343.477	4.229	10	40	EICB	
CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1ccc2nc(C)sc2c1	100726913	OPGRRVIRRBIUCA-SGRLSNSRSA-N	349.419	4.480	10	40	EICB	
CC/C(C)=C1\SC(=S)N(C(=O)c2ccc(Cl)cc2)C1=O	32178499	WOVGKQMZMBPNSD-FLIBITNWSA-N	325.842	4.025	10	40	EICB	
COc1cc(/N=N/c2ccc(Br)cc2)cc(CO)c1O	70461997	KXPLMNNRSIZQIE-WUKNDPDISA-N	337.173	4.071	10	40	EICB	
CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCCc1ccccc1	103917905	ASGBRWDVKGZHGF-FXBPSFAMSA-N	347.462	4.296	10	40	EICB	
CCN(CCNC(=S)Nc1cccc(C)c1)c1ccc(C)cc1	225792251	SCRQHPBJCDXGIM-UHFFFAOYSA-N	327.497	4.116	10	40	EICB	
CCOc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1	13839876	OXDLZMIEOHHHHD-VBKFSLOCSA-N	341.457	4.491	10	40	EICB	
C[C@@H]1CCCN(c2ccc(CNC(=O)NC3CCCCC3)cc2)C1	225757571	AMKBWLHAAHWVNI-MRXNPFEDSA-N	329.488	4.055	10	40	EICB	
O=C1c2ccccc2N[C@@H](c2cc(Cl)cc(Cl)c2O)N1C1CC1	7886190	OYEWFPLDUAYVSQ-MRXNPFEDSA-N	349.217	4.428	10	40	EICB	
CCCCCN/C(C)=C1\C(=O)N(c2ccc(F)cc2)N=C1CCC	17068101	CROISNXZXLBSOT-JXAWBTAJSA-N	331.435	4.382	10	40	EICB	
COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(C(C)C)cc1	408891682	BDRANNBIJFAUHW-WQRHYEAKSA-N	341.451	4.139	10	40	EICB	
O=C1c2ccccc2C(=O)c2c1ccc([N+](=O)[O-])c2Nc1ccccc1	4321198	ISOHOIXIFPOWCI-UHFFFAOYSA-N	344.326	4.114	10	40	EICB	
O=C(O)c1ccc([N+](=O)[O-])c2c1N[C@H]([C@H]1CC=CCC1)[C@@H]1CC=C[C@H]21	4718535	AMXXQAQJHXLUKO-APNQJHFZSA-N	340.379	4.103	10	40	EICB	
CN1CCC(NC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)CC1	43189308	ZYZMNAYAMIBYMS-GHVJWSGMSA-N	337.427	4.318	10	40	EICB	
O=C1c2ccccc2N[C@H](c2cc(Cl)cc(Cl)c2O)N1C1CC1	7886191	OYEWFPLDUAYVSQ-INIZCTEOSA-N	349.217	4.428	10	40	EICB	
COc1ccccc1N1C(=O)/C(=C/c2ccc(C)o2)SC1=S	4690534	XFQNDQFHYMNXAI-ZROIWOOFSA-N	331.418	4.002	10	40	EICB	
CCN(CC)c1ccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc1	7885994	FFTCYKNXVAVUAA-HXUWFJFHSA-N	335.451	4.262	10	40	EICB	
CN(C)c1ccc(N2C(=O)/C(=C/c3ccccc3)SC2=S)cc1	9188761	RRIOHFCWYBXCBQ-VBKFSLOCSA-N	340.473	4.158	10	40	EICB	
COc1cc(N(C)C)c(OC)cc1/C=C\c1ccnc2ccccc12	17062667	WNRMQAWGIWTTME-KTKRTIGZSA-N	334.419	4.488	10	40	EICB	
O=C(NCc1ccc(N2CCCCC2)cc1)c1cc2c(s1)CCC2	58358222	KEUGZPIMTIFQAS-UHFFFAOYSA-N	340.492	4.157	10	40	EICB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(Br)cc1	101062894	DEVLNUKFUVCZDW-LFIBNONCSA-N	341.208	4.255	10	40	EICB	
CCCOc1ccc2ccccc2c1/C=C1/SC(=S)NC1=O	211725649	AYWNNTYLSAPTIJ-XNTDXEJSSA-N	329.446	4.117	10	40	EICB	
Cc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)n1	409338321	HSLCPOFDUVUIHR-ZROIWOOFSA-N	346.864	4.449	10	40	EICB	
C[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccncc2)SC1=S	13123096	XLFXQHPJWVECAI-QJMZJAKPSA-N	326.446	4.044	10	40	EICB	
CCCN1C(=O)/C(=C\c2cn(CC)c3ccccc23)SC1=S	409343475	GYNNYGXPFISYAM-XNTDXEJSSA-N	330.478	4.272	10	40	EICB	
CCCN/C(C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1CCC	100182297	XIUNRFHFXKLIPX-VBKFSLOCSA-N	342.468	4.073	10	40	EICB	
CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1cc(Cl)ccc1C	44826970	XXEXBCXZLGLNSN-LFIBNONCSA-N	325.799	4.367	10	40	EICB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCCCC2)cc1	18037662	KEFIFWAERGWKCH-LTGZKZEYSA-N	345.446	4.483	10	40	EICB	
CCOc1cc2ccccc2cc1C(=O)NCc1ccc(N(C)C)cc1	28643291	IHNMFAVAURVJGB-UHFFFAOYSA-N	348.446	4.235	10	40	EICB	
CCCOC(=O)c1ccc(/N=N/c2cc(C)c(O)c(C(=O)O)c2)cc1	70462718	PUJSTCOLUSOAQI-FMQUCBEESA-N	342.351	4.381	10	40	EICB	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/Nc1cccc(C)c1	100041044	GLTYDQNKYCMVJK-GZTJUZNOSA-N	325.799	4.367	10	40	EICB	
CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)SC1=S	13303617	JNZCDFCSQIEFEE-OWBHPGMISA-N	336.507	4.058	10	40	EICB	
CCN(CC)c1ccc(CNC(=S)Nc2ccc(F)cc2)cc1	225461942	AIGHRBAKTSSAHC-UHFFFAOYSA-N	331.460	4.159	10	40	EICB	
CC(C)(C)c1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)cc1	79656	YUHLWPHSONRAES-DTQAZKPQSA-N	328.481	4.440	10	40	EICB	
CCOC(=O)c1c(NCc2cc(C)ccc2O)sc2c1CCC2	348531	YMMSKAJCQBTOIE-UHFFFAOYSA-N	331.437	4.040	10	40	EICB	
O=C(O)c1ccc(/N=N/c2ccc(O)c3ccccc23)cc1C(=O)O	5604883	VGXCCYXQUBBPKX-FMQUCBEESA-N	336.303	4.357	10	40	EICB	
COC(=O)c1ccc([C@@H]2Nc3ccc(OC)cc3[C@@H]3C=CC[C@H]32)cc1	4151368	GADQDIUUTSVNQA-HLIPFELVSA-N	335.403	4.308	10	40	EICB	
CCOc1ccccc1/C=C1\SC(=S)N(c2ccccc2)C1=O	9188428	GMBCEQLABQYZKN-VBKFSLOCSA-N	341.457	4.491	10	40	EICB	
CC(=O)c1ccc(/N=N/C(=S)NNc2ccc(C(C)=O)cc2)cc1	18191742	NBRFYZRCXZHWBK-XUTLUUPISA-N	340.408	4.077	10	40	EICB	
O=C(O)c1ccccc1[C@@H]1Nc2c(F)cc(F)cc2[C@H]2C=CC[C@@H]21	409158539	XPEVSAHRIVMQFO-NVGCLXPQSA-N	327.330	4.490	10	40	EICB	
CCCOc1ccc(/C=C2/SC(N3CCCCCC3)=NC2=O)cc1	2072235	HBCNJRMMCMPHMP-SAPNQHFASA-N	344.480	4.322	10	40	EICB	
O=C1/C(=C\c2cccs2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	5945284	UOHXVSOHSPLAHS-XYOKQWHBSA-N	348.430	4.062	10	40	EICB	
CN(C)c1ccc(CN(C(=O)c2cccs2)c2ccccn2)cc1	28287855	FRIZUPKCUWVXQM-UHFFFAOYSA-N	337.448	4.056	10	40	EICB	
CN(C)c1ccc(CNC(=O)c2ccc(-c3ccccc3)cc2)cc1	8170814	BXRJRWFBGXREMZ-UHFFFAOYSA-N	330.431	4.350	10	40	EICB	
CN(C)c1ccc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1	32597709	BKOAIOSPVSTOJN-QGZVFWFLSA-N	332.856	4.185	10	40	EICB	
COc1ccccc1/C=C1/SC(=S)N(c2ccc(F)cc2)C1=O	1196322	BYPKVIFGBMNLCQ-XNTDXEJSSA-N	345.420	4.240	10	40	EICB	
CN(C)c1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1	13616051	LFJMMSRNBPHJMF-VBKFSLOCSA-N	346.521	4.287	10	40	EICB	
Nc1ccc(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1	20185818	AUZHXMKYSKSZOE-UHFFFAOYSA-N	328.721	4.122	10	40	EICB	
CCN(CC)c1ccc(/C=C2\SC(N3CCCCC3)=NC2=N)cc1	16678473	PSMWISBSXBAERL-WLWULJCXSA-N	342.512	4.440	10	40	EICB	
O=C1OC(c2ccccc2)=C/C1=C\c1ccc(Br)s1	36245348	WHIACMWWTUZRTG-DHZHZOJOSA-N	333.206	4.492	10	40	EICB	
COc1cccc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2)c1O	7884332	DZDNTTOCOAECJC-HXUWFJFHSA-N	346.386	4.172	10	40	EICB	
C[C@H]1Cc2cc(/C=C3\SC(=S)N(C4CCCC4)C3=O)ccc2O1	16810384	HSZVXVYOUBJQAX-OKHBPPCESA-N	345.489	4.154	10	40	EICB	
Oc1ccccc1C1=NN2[C@H](C1)c1ccccc1O[C@@H]2c1ccncc1	102907243	PFAGYMBTGNNLCN-WIYYLYMNSA-N	343.386	4.030	10	40	EICB	
CCOC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCC3	529070	YGZXWJAKQMAZCI-UHFFFAOYSA-N	344.461	4.272	10	40	EICB	
Cc1ccc(-n2c(C)cc(CC(=O)Nc3ccccc3O)c2C)cc1	9112722	WMSQICRHSCVANV-UHFFFAOYSA-N	334.419	4.289	10	40	EICB	
CN(Cc1ccccc1O)C(=O)Nc1cccc(SC(F)F)c1	67355639	LIWKMOCMYBLPMH-UHFFFAOYSA-N	338.379	4.371	10	40	EICB	
O=C1/C(=C/c2cc(Cl)ccc2O)SC(=S)N1c1ccccc1	3030819	PFQJCHWKBKNLBH-ZROIWOOFSA-N	347.848	4.451	10	40	EICB	
C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(N)cc1	19736665	JXEVEGHIEOUDCH-HNNXBMFYSA-N	332.403	4.342	10	40	EICB	
C[C@@H](NC(=S)Nc1ccncc1)c1ccc(N2CCCCC2)cc1	225666797	MCXUPKKJQDZNLW-OAHLLOKOSA-N	340.496	4.120	10	40	EICB	
Cc1ccccc1OCc1nc(-c2ccc(-n3cccc3)cc2)no1	3642533	BXKWITAKLZCLFR-UHFFFAOYSA-N	331.375	4.415	10	40	EICB	aggregator
CC(=O)c1ccc(N2C(=O)/C(=C/c3cccs3)SC2=S)cc1	6563192	PUWYLUFSGWUGII-ZROIWOOFSA-N	345.470	4.357	10	40	EICB	
CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C/NC1CCCCC1	96602830	RQJGHZJRBSXDKT-GHRIWEEISA-N	329.419	4.135	10	40	EICB	
CN(C)c1ccc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc1	110536	LATLXXBEVWPGJK-RVDMUPIBSA-N	325.795	4.387	10	40	EICB	
O=C(O)c1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@@H](c1ccccn1)N2	4168297	UOOMRAKLNOZSDI-MMPTUQATSA-N	326.783	4.260	10	40	EICB	
CC1CCN(C(=S)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1	10387163	GDCDKVUCCHUGRP-UHFFFAOYSA-N	330.409	4.262	10	40	EICB	
CN1CCCc2cc(/C=C/C(=O)N(Cc3ccccc3)C3CC3)ccc21	61137037	VESKDQKZVVMRMH-GXDHUFHOSA-N	346.474	4.273	10	40	EICB	
Nc1ccc(/N=N/c2cccc(S(=O)(=O)O)c2)c2ccccc12	4523149	COAVSGQDMBDKLG-VHEBQXMUSA-N	327.365	4.084	10	40	EICB	
CN(C)Cc1c(O)ccc2occ(C(=O)c3ccc(Cl)cc3)c12	4705282	MDJXCRQVZHPYTB-UHFFFAOYSA-N	329.783	4.084	10	40	EICB	
Cc1ccc(N2C(=O)/C(=C/c3ccccc3O)SC2=S)cc1	5214678	FDUIUXUMSIRWAD-GDNBJRDFSA-N	327.430	4.106	10	40	EICB	
CN(C)c1ccc(CNc2ncnc3sc4c(c23)CCCC4)cc1	6831688	OQIJXZOYWLJNAZ-UHFFFAOYSA-N	338.480	4.248	10	40	EICB	
COC(=O)c1ccccc1NC(=O)c1cccc(-n2c(C)ccc2C)c1	7468497	HZEFQINRWLLXDU-UHFFFAOYSA-N	348.402	4.133	10	40	EICB	
Cc1cccc(N2CCN(Cc3c(O)ccc4ccccc34)CC2)c1	12610409	HYRXFGWTVFVMKM-UHFFFAOYSA-N	332.447	4.176	10	40	EICB	
CCN1C(=O)/C(=C/c2ccc(-c3ccc(C#N)cc3)o2)SC1=S	107619891	SRNPNLFFJLEPRO-DHDCSXOGSA-N	340.429	4.039	10	40	EICB	
COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(C)cc1	408770501	YFZZNNUJXCRDPS-UYRXBGFRSA-N	347.414	4.181	10	40	EICB	
Cc1cc(C(=O)CN2CCC(C)CC2)c(C)n1-c1ccccc1F	3243105	WVBWCGCTOWVHQS-UHFFFAOYSA-N	328.431	4.148	10	40	EICB	
Cc1cc(/N=N/c2ccc(C(=O)OC(C)C)cc2)cc(C(=O)O)c1O	70462717	KHQNNBWUSOUSHP-FMQUCBEESA-N	342.351	4.379	10	40	EICB	
Cc1ccc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc1	33320536	QEBFRVGOJHWHJK-ALGNWURXSA-N	345.427	4.299	10	40	EICB	
CCOc1ccc(/C=C2\SC(Nc3ccc(C)cc3)=NC2=O)cc1	5584752	DTCKOESHPJRUNK-ATVHPVEESA-N	338.432	4.476	10	40	EICB	
CCc1nc(NCCc2ccc(O)c(O)c2)c2oc3ccccc3c2n1	5252426	YZIUJXRFWWWBMY-UHFFFAOYSA-N	349.390	4.004	10	40	EICB	
CCCCN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2)C1=O	409059353	MPLNKLFHUQOGRW-SSZFMOIBSA-N	330.453	4.123	10	40	EICB	
O=C1/C(=C/Nc2ccc(F)cc2)SC(=S)N1c1ccccc1	618255043	NYCVARSGNOHYFL-UVTDQMKNSA-N	330.409	4.144	10	40	EICB	
CCN1C(=O)/C(=C/c2ccc(OC(C)C)c(Cl)c2)SC1=S	107800836	FZQAMBFENCBPGU-JYRVWZFOSA-N	341.885	4.348	10	40	EICB	
Nc1nn2c(-c3ccccc3)cc(O)nc2c1/N=N/c1ccccc1	3848949	MLSGRJPCZYYVNY-QURGRASLSA-N	330.351	4.100	10	40	EICB	
CCOc1ccc(/C=C2\SC(Nc3ccccc3C)=NC2=O)cc1	5584766	OFELBVYTKANBER-ATVHPVEESA-N	338.432	4.476	10	40	EICB	
COc1ccccc1N1C(=O)/C(=C\c2cccc(F)c2)SC1=S	6166121	MUNRKZLCVMGFMU-XNTDXEJSSA-N	345.420	4.240	10	40	EICB	
O=C(Nc1c2ccccc2nc2ccccc12)c1[nH]nc2c1CCCC2	8740769	WRVUPSFLOORTPI-UHFFFAOYSA-N	342.402	4.242	10	40	EICB	
CN(Cc1cc2c(cc1O)OCO2)Cc1cccc(Cl)c1Cl	16352450	RTUAMOCTGRMFQK-UHFFFAOYSA-N	340.206	4.060	10	40	EICB	
CCOc1c(/N=N\c2ccc(O)cc2)c(C)nn1C(=S)SC	104241111	DHPCSZJBTGVOHS-NXVVXOECSA-N	336.442	4.207	10	40	EICB	
Cc1cc(/C=C2/SC(=N)NC2=O)c(C)n1-c1cccc2ccccc12	4749723	ZBLRGEOKRUAHSK-WOJGMQOQSA-N	347.443	4.386	10	40	EICB	
Oc1c([C@H](c2ccccn2)N2CCCC2)cc(Cl)c2cccnc12	19879775	QLPZJTVSRZEZHY-GOSISDBHSA-N	339.826	4.174	10	40	EICB	
COc1ccccc1/C=C1\SC(=S)N(c2ccc(C)cc2)C1=O	1309956	BRFCCQSBNVHDQW-WJDWOHSUSA-N	341.457	4.409	10	40	EICB	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccco3)c2C)cc1	3509757	RLUPZKNEAXMJLL-UHFFFAOYSA-N	337.375	4.035	10	40	EICB	
Cc1ccc(CO)c2c1N[C@@H](c1ccc(C(=O)O)cc1)[C@@H]1CC=C[C@H]21	4623668	GMRQDMOWAMYVIM-QKLQHJQFSA-N	335.403	4.012	10	40	EICB	
COc1cccc(/C=C2/C=C(c3ccc(C)cc3C)OC2=O)c1OC	4852809	XLFOOHZFYAVOQI-WJDWOHSUSA-N	336.387	4.302	10	40	EICB	
Cc1ccc(-n2c(C)cc(/C=C/C(=O)NCc3cc(C)no3)c2C)cc1	64942689	GPROAYSZMWUBRW-JXMROGBWSA-N	349.434	4.029	10	40	EICB	
O=C1/C(=C\Nc2ccc(F)cc2)C(C(F)(F)F)=NN1c1ccccc1	100072005	MEVWASOCXAAMNV-UVTDQMKNSA-N	349.287	4.087	10	40	EICB	
OC1=N[C@H](c2ccc(O)cc2O)Nc2scc(-c3ccccc3)c21	8381701	ZFUWJGQGSBTGCM-INIZCTEOSA-N	338.388	4.255	10	40	EICB	
Cc1cc(C(=O)Nc2ccccc2)c(C)n1-c1ccc2c(c1)OCCO2	28265744	CJLDPPLPTJIKDL-UHFFFAOYSA-N	348.402	4.118	10	40	EICB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2\SC(=O)NC2=O)c1C	408815605	IEDKHHQUYBPUDF-CHHVJCJISA-N	346.839	4.380	10	40	EICB	
O=C1NC(=S)S/C1=C/c1ccc(-c2ccc(F)c(Cl)c2)o1	2307391	INMNXYZGGLVPKJ-WUXMJOGZSA-N	339.800	4.228	10	40	EICB	
CSCC[C@H](Nc1c2ccccc2nc2ccccc12)C(=O)O	5298451	LLLRABBEOQIEED-INIZCTEOSA-N	326.421	4.006	10	40	EICB	
O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1c1cccc(F)c1	15011612	ZKYAQBWUDAPYRX-RIYZIHGNSA-N	333.384	4.371	10	40	EICB	
COc1ccc(-c2ccc(CCC(=O)O)n2-c2cccc(C)c2)cc1	408943750	IEEOGUQTAHZLGF-UHFFFAOYSA-N	335.403	4.479	10	40	EICB	
CCN1C(=O)/C(=C/C=C2\N(C)c3ccccc3C2(C)C)SC1=S	13301985	QFTZFCHXTGZQEA-HYQBVQLESA-N	344.505	4.062	10	40	EICB	
Cc1ccc(Nc2ccc(O)c3c2C(=O)[C@@H]2C=CC=C[C@@H]2C3=O)c(C)c1	100643782	XCTVLHMEBPTXLG-CABCVRRESA-N	345.398	4.490	10	40	EICB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3/SC(=S)NC3=O)cc21	208454910	VVHNONMZZHVBJK-OVCLIPMQSA-N	344.505	4.116	10	40	EICB	
CCN1C(=O)/C(=C\c2cc(C)n(-c3cccnc3)c2C)c2ccccc21	409115774	KKEDOELTWNNIID-MOSHPQCFSA-N	343.430	4.396	10	40	EICB	
COc1cc([N+](=O)[O-])cc2c1N[C@H]([C@H]1CC=CCC1)[C@@H]1CC=C[C@H]21	4132309	PSPLPPYNGLDIRF-CTNYNGJSSA-N	326.396	4.414	10	40	EICB	
COc1ccc(NCc2cc(Br)ccc2O)cc1Cl	44836258	BGISTXZTWXDJEK-UHFFFAOYSA-N	342.620	4.429	10	40	EICB	
O=C1C(=C2CCCCC2)SC(=S)N1CNc1ccccc1F	3177126	ZMRMGDAYXSBOIN-UHFFFAOYSA-N	336.457	4.274	10	40	EICB	
CC(=O)Nc1ccc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1	3423032	YBZIVPAYAAUDAY-UHFFFAOYSA-N	347.418	4.305	10	40	EICB	
CCCC[C@@H](CC)CN1C(=O)/C(=C\c2ccncc2)SC1=S	5694874	DIGSBNOZLNNDAQ-WDGDVPDHSA-N	334.510	4.499	10	40	EICB	
CCOc1ccc(CNCc2cc(Cl)ccc2O)cc1OCC	40477039	HRHLKDOUIYQYPP-UHFFFAOYSA-N	335.831	4.133	10	40	EICB	
CC[C@@H](NC1CCN([C@@H](C)c2ccncc2)CC1)c1ccccc1O	156846653	NYWVMZISQIREEO-OXJNMPFZSA-N	339.483	4.054	10	40	EICB	
S=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc(Cl)cc1	225422973	XTZUWGXKOFHRJJ-UHFFFAOYSA-N	345.899	4.427	10	40	EICB	
Cc1ccc(-n2c(C)cc(/C=C3/SC(=S)NC3=O)c2C)cc1C	1207061	ODRZKEZNAYYEBF-CXUHLZMHSA-N	342.489	4.200	10	40	EICB	
Cc1cc(C)nc(N[C@H](c2ccco2)c2ccc3cccnc3c2O)n1	1463139	ZRYQMCACGDOGEV-SFHVURJKSA-N	346.390	4.142	10	40	EICB	
Cc1cc(C)nc(N[C@@H](c2ccco2)c2ccc3cccnc3c2O)n1	1463140	ZRYQMCACGDOGEV-GOSISDBHSA-N	346.390	4.142	10	40	EICB	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccn1-c1ccc(F)cc1	16160995	JTFUEAOOJCQSRQ-ZHZULCJRSA-N	345.377	4.423	10	40	EICB	
Cc1ccc(C)c(N2C(=O)/C(=C/c3cccn3C)SC2=S)c1	6844390	QOUOBLKLNDHEPG-GDNBJRDFSA-N	328.462	4.048	10	40	EICB	
O=C1/C(=C/c2ccncc2)SC(=S)N1c1ccc(Cl)cc1	13284494	FMYFKMXVIFKPQQ-LCYFTJDESA-N	332.837	4.141	10	40	EICB	
CCc1ccccc1N/C(C)=C1\C(=O)N(c2ccc(F)cc2)N=C1C	112111807	SRDCNWSJKZWAIL-UYRXBGFRSA-N	337.398	4.497	10	40	EICB	
CCN(CCNC(=S)Nc1ccc(C)cc1C)c1ccc(C)cc1	225792327	WUOSEONBEPWNBA-UHFFFAOYSA-N	341.524	4.425	10	40	EICB	
CCCn1cc(/C=C2/SC(=S)N(CC)C2=O)c2ccccc21	409348141	RRKZFXVRXSXPLO-XNTDXEJSSA-N	330.478	4.272	10	40	EICB	
O=C(Nc1ccc(F)cc1)N(Cc1ccco1)Cc1ccccc1O	40150517	JCJUGVQSJMPIOS-UHFFFAOYSA-N	340.354	4.359	10	40	EICB	
Cc1noc2c1[C@@H](c1ccc(O)c(O)c1)C1=C(O)CC(C)(C)CC1=N2	102733900	KRTLHXUIMSQSOL-MRXNPFEDSA-N	340.379	4.244	10	40	EICB	
O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1c1ccc(O)cc1	1300985	PNUVMVAIQHHZET-ZROIWOOFSA-N	347.848	4.451	10	40	EICB	
Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)c(C)n1-c1ccccc1	3193488	PKRCADOWCMQZBJ-UHFFFAOYSA-N	337.263	4.406	10	40	EICB	
Cc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(C)C3=O)c2C)cc1C	4064221	ANYHUMGSIBVUBF-YVLHZVERSA-N	340.448	4.377	10	40	EICB	
C[C@@H]1C[C@H]1C(=O)OCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1	4806870	WYWKLODTCMKACH-JGNBAYPESA-N	337.379	4.240	10	40	EICB	
Cc1ccc(N2C(=O)/C(=C/c3ccccn3)SC2=S)cc1C	8656992	IQVMRVLQIZVCHR-GDNBJRDFSA-N	326.446	4.104	10	40	EICB	
Cc1ccc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCCO3)o1	3906240	IAFJMOAOPOBJJO-UHFFFAOYSA-N	347.374	4.418	10	40	EICB	
CCc1ccccc1N1C(=O)/C(=C/c2ccc(O)cc2)SC1=S	5371219	FQNAYESJGVGZLW-WJDWOHSUSA-N	341.457	4.360	10	40	EICB	
COc1cccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)c1O	7884333	DZDNTTOCOAECJC-FQEVSTJZSA-N	346.386	4.172	10	40	EICB	
Cc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(C)C3=O)c2C)cc1	13809859	DNENVHRSAZGVTE-YBEGLDIGSA-N	326.421	4.069	10	40	EICB	
O=S(=O)(Nc1ccc(O)cc1)c1ccc(C2CCCCC2)cc1	41091092	CZMCSWPASMTJNL-UHFFFAOYSA-N	331.437	4.241	10	40	EICB	
Cc1ccc(N(C)CCNC(=S)Nc2cc(C)cc(C)c2)cc1	225794911	OYJJYSHFKKTLJY-UHFFFAOYSA-N	327.497	4.035	10	40	EICB	
C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)Cc3cccs3)cc2)C1	260813188	QHOLZBNBIWQFJU-JKSUJKDBSA-N	342.508	4.404	10	40	EICB	
CN1CCN(C2=Cc3ccccc3Sc3cc4c(cc32)CCC4)CC1	347631	BCCQVEICOUTTAY-UHFFFAOYSA-N	348.515	4.385	10	40	EICB	
Cc1cccc(NC2=NC(=O)/C(=C/c3nc(C)n4ccccc34)S2)c1	32070844	VQVJKJNUOWKNII-BOPFTXTBSA-N	348.431	4.034	10	40	EICB	
COc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2c2ccccc2)cc1	59228962	DSSGBTWPHRZNBT-XMHGGMMESA-N	344.370	4.123	10	40	EICB	
CN(C)C(=O)c1cccc(/N=N\c2ccc(N)c3ccc(O)cc23)c1	104388907	NNPFLTYTUCKUNQ-DQRAZIAOSA-N	334.379	4.245	10	40	EICB	
Cc1cc(C(C)(C)C)cc(CN2CCN(c3ccccc3)CC2)c1O	89587293	KNWDMOPWZROVBA-UHFFFAOYSA-N	338.495	4.320	10	40	EICB	
CN(C)c1ccc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)cc1	213606232	QRCSBRIKHYFIIR-WJDWOHSUSA-N	340.404	4.112	10	40	EICB	
Cc1ccc(N(C)CCNC(=S)Nc2cc(C)ccc2C)cc1	225794881	SRQHQLJLOYBEDG-UHFFFAOYSA-N	327.497	4.035	10	40	EICB	
CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3F)c2C)C1=O	409095194	HMYLCTSAIJIJHR-MHWRWJLKSA-N	344.411	4.289	10	40	EICB	
COc1ccc(CNc2ccc3c(c2)ncn3C(C)(C)C)cc1OC	423358	RDSXAWMEEZCDBV-UHFFFAOYSA-N	339.439	4.421	10	40	EICB	
O=C1c2ccccc2C(=O)c2c(/N=N\N(O)c3ccccc3)cccc21	4535818	QDIJYZWHBXJRFW-DQRAZIAOSA-N	343.342	4.357	10	40	EICB	
S=C(c1ccc(-c2cc(Cl)cc(Cl)c2)o1)N1CCOCC1	5864788	YGNVDJNLXJTMKF-UHFFFAOYSA-N	342.247	4.261	10	40	EICB	
CCN1C(=O)/C(=C/c2c(C)cn(-c3ccccc3)c2C)SC1=S	4798181	IHRFDGCOMIFRMP-YBEGLDIGSA-N	342.489	4.315	10	40	EICB	
CC(C)(C)c1ccc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc1	58865685	LAKDRWVFNCAMQH-UHFFFAOYSA-N	328.408	4.128	10	40	EICB	
CCN(CC)c1ccc(CNC(=O)Cc2cccc(Cl)c2)cc1	225582902	IYXDGFWWCJWRFR-UHFFFAOYSA-N	330.859	4.045	10	40	EICB	
Cc1ccc(C(=O)C(=O)c2cc([N+](=O)[O-])ccc2Cl)c(Cl)c1	8369812	GSTXEJJFFIUWGB-UHFFFAOYSA-N	338.146	4.276	10	40	EICB	
Fc1cccc(NC(=S)NCc2ccc(N3CCCCC3)cc2)c1	225416638	QBFWDBWOVQTDCF-UHFFFAOYSA-N	343.471	4.303	10	40	EICB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C2\SC(=O)NC2=O)c1C	6962067	JIMAEGLVHVHGDS-NVNXTCNLSA-N	346.839	4.380	10	40	EICB	
O=C(O)c1ccc([N+](=O)[O-])c2c1N[C@@H]([C@H]1CC=CCC1)[C@@H]1CC=C[C@H]21	4718536	AMXXQAQJHXLUKO-JRATXPSKSA-N	340.379	4.103	10	40	EICB	
COc1ccc(N2CCO[C@H]2c2ccn(-c3cccc(F)c3)c2)cc1	216728290	LVABVUFFNPOBNM-FQEVSTJZSA-N	338.382	4.160	10	40	EICB	
CCc1cc(=O)oc2c(CN[C@H]3CCCc4ccccc43)c(O)ccc12	6764510	HOYPJKJAXWWSKK-IBGZPJMESA-N	349.430	4.228	10	40	EICB	
O=[N+]([O-])c1ccc(-c2nc(-c3ccc(-n4cccc4)cc3)no2)cc1	1421780	HTEKBKFIMNBKSX-UHFFFAOYSA-N	332.319	4.103	10	40	EICB	
COc1cccc(/C=C2/C=C(c3cc(C)ccc3C)OC2=O)c1OC	64125	SYKNWHHQUNGRSD-WJDWOHSUSA-N	336.387	4.302	10	40	EICB	
Oc1cc2c(cc1[C@@H](c1ccc(Cl)cc1)N1CCCCC1)OCO2	1587172	KDSLFUPFGAIYOZ-LJQANCHMSA-N	345.826	4.350	10	40	EICB	
CN(C)c1ccc([C@@H]2CC(c3ccc4ccccc4c3O)=NN2)cc1	5581071	JVMLUKSHUAKZLI-IBGZPJMESA-N	331.419	4.050	10	40	EICB	
C[C@H](NCc1ccccc1O)c1cccc(NC(=O)c2ccccc2)c1	71792523	XIJYLZFYLUVLCE-INIZCTEOSA-N	346.430	4.495	10	40	EICB	
CN1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3F)o2)SC1=S	408604168	TYKHLEQSRWBDHV-QPEQYQDCSA-N	337.372	4.056	10	40	EICB	
Cc1ccc(N2C(=O)/C(=C/Nc3cccc(O)c3)SC2=S)cc1	618254865	IGYHTRPYADPJPU-GDNBJRDFSA-N	342.445	4.019	10	40	EICB	
CCC(CC)C(=O)N1N=C(c2ccccc2O)C[C@H]1c1ccco1	11692701	MLMTWWKOUMWZTQ-INIZCTEOSA-N	326.396	4.099	10	40	EICB	
Nc1c(C(=O)OC2CCCCC2)sc2nc3c(cc12)CCCC3	16383627	RZDVEPQWOCCQRB-UHFFFAOYSA-N	330.453	4.247	10	40	EICB	
Cc1cccc(N2C(=O)/C(=C\c3cccc(O)c3)SC2=S)c1C	6203721	CPGQCJQJTTUUSM-MHWRWJLKSA-N	341.457	4.415	10	40	EICB	
O=C1/C(=C/c2ccc[nH]2)SC(=S)N1c1ccc(F)c(Cl)c1	54164430	PUTIQRTUVCUKJQ-SDQBBNPISA-N	338.816	4.213	10	40	EICB	
CN(C)c1ccc(CN(C(=O)c2ccccc2F)c2ccccn2)cc1	28288131	YIPDEYKXFPJQIG-UHFFFAOYSA-N	349.409	4.134	10	40	EICB	
O=C(O)[C@H]1[C@H]2CC=C[C@H]2c2c3c(cc4ccccc24)[C@H]2C=CC[C@@H]2CN31	4797527	MQUABYFVEIZLIJ-RKZCSLLNSA-N	343.426	4.446	10	40	EICB	
CCCCNCc1c(O)ccc2c(=O)c(-c3ccc(F)cc3)coc12	32501384	WKUHOZJZAUQCRF-UHFFFAOYSA-N	341.382	4.194	10	40	EICB	biogenic
O=C1c2ccccc2C(=O)c2sc(Nc3ccccc3Cl)nc21	1622388	MWTDGRMJCUEONW-UHFFFAOYSA-N	340.791	4.316	10	40	EICB	
[N-]=[N+]=NCC(=O)N(Cc1ccccc1)c1ccc(Br)cc1	101353350	VBWYSYXSCGUWOY-UHFFFAOYSA-N	345.200	4.293	10	40	EICB	
Cc1ccnc(NC(=S)N[C@@H](C)c2ccc(N3CCCC3)cc2)c1	225697048	JOSVTDUAXAJICF-HNNXBMFYSA-N	340.496	4.038	10	40	EICB	
COc1ccc(N2C(=O)/C(=C/c3sccc3C)SC2=S)cc1	1149598	PBMPWNPEIFYUJX-ZROIWOOFSA-N	347.486	4.471	10	40	EICB	
O=C1/C(=C\Nc2ccc(F)cc2)SC(=S)N1c1ccc(F)cc1	4543793	NJHRJKITQAHMIW-NTEUORMPSA-N	348.399	4.283	10	40	EICB	
Cc1cccc(NC(=O)CSc2ncc(-c3ccccc3)n2C)c1	5174957	MSAIWHOWDDMVSF-UHFFFAOYSA-N	337.448	4.126	10	40	EICB	
C[C@@H]1Cc2cc(/C=C3\SC(=S)N(C4CCCC4)C3=O)ccc2O1	16810382	HSZVXVYOUBJQAX-FFCYNSPCSA-N	345.489	4.154	10	40	EICB	
C[C@H]1Cc2cc(/C=C3/SC(=S)N(C4CCCC4)C3=O)ccc2O1	2435191	HSZVXVYOUBJQAX-YAFRSCOQSA-N	345.489	4.154	10	40	EICB	
O=C1/C(=C/C=C/c2ccco2)SC(=S)N1c1cccc(F)c1	4387525	WSPDSCWGDDRJJX-NTOUICHMSA-N	331.393	4.381	10	40	EICB	
C[C@H]1CCCN(Cc2c(O)ccc3c(-c4ccccc4)cc(=O)oc23)C1	407890	ABTUOYUETFJRLF-HNNXBMFYSA-N	349.430	4.398	10	40	EICB	biogenic
Cc1cc(C)c(/N=N/c2cc(C)c(N)cc2C)c(S(=O)(=O)O)c1	4523152	FZXGFGSGKDOGMB-VHEBQXMUSA-N	333.413	4.165	10	40	EICB	
O=C1OC(c2cccs2)=C/C1=C/c1ccc(Br)cc1	5997572	YPLXUTJIHAAQAI-FLIBITNWSA-N	333.206	4.492	10	40	EICB	
CCn1ncc2c1CCC[C@@H]2NCc1ccc(N2CCCCC2)cc1	72298475	RKSQZQFDOXDNHO-FQEVSTJZSA-N	338.499	4.061	10	40	EICB	
CCc1ccc(-n2c(C)cc(/C=C3\SC(=S)NC3=O)c2C)cc1	13810263	YAHKNGWXAVVUBR-YBEGLDIGSA-N	342.489	4.145	10	40	EICB	
COc1ccc(-n2c(CCC(=O)O)ccc2-c2cccs2)cc1	94911	UQOODKRWEHEKFT-UHFFFAOYSA-N	327.405	4.232	10	40	EICB	
CN(C)c1cccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1	4109193	UQDFMAADXDDJEH-VBKFSLOCSA-N	340.473	4.158	10	40	EICB	
COc1ccccc1/C=C1\SC(=S)N(C2CCCCC2)C1=O	13778836	XAXOEAIHQDRXOH-PTNGSMBKSA-N	333.478	4.229	10	40	EICB	
O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1cccnc1)N2	409157244	IDSSJBQQJJBDBJ-BFQNTYOBSA-N	327.771	4.470	10	40	EICB	
O=C1c2cccc([N+](=O)[O-])c2C(=O)c2c1oc1ccc3ccccc3c21	1673115	FXNILQHAHPWMPS-UHFFFAOYSA-N	343.294	4.270	10	40	EICB	
Cc1ccc(C)n1N1C(=O)/C(=C\c2cccc(Cl)c2)SC1=S	409192750	AKOAFPXLNACIMR-NTEUORMPSA-N	348.880	4.296	10	40	EICB	
c1ccc(C2=N[C@H]3Nc4ccccc4N[C@@H]3N=C2c2ccccc2)cc1	1870426	QZJQOGGGPGHEAQ-FGZHOGPDSA-N	338.414	4.168	10	40	EICB	
CN(CCCC(=O)O)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1	4114012	FLSBHQJVJRJLRN-VHEBQXMUSA-N	342.355	4.311	10	40	EICB	
CN(C)c1ccc(CNC(=O)CCc2ccc(-c3ccccc3)o2)cc1	8171669	MOOAILYGVAONQU-UHFFFAOYSA-N	348.446	4.262	10	40	EICB	
Cc1ccccc1N/C=C1\SC(=S)N(c2ccc(F)cc2)C1=O	101937151	FDCWTAUDKQJFDA-GDNBJRDFSA-N	344.436	4.452	10	40	EICB	
O=C1N=C(Nc2ccccc2C(F)(F)F)S/C1=C\c1ccncc1	1476266	QOLGIDTZQYGYAJ-LCYFTJDESA-N	349.337	4.183	10	40	EICB	
Oc1c(Cl)cc(Cl)cc1C1=NN[C@H](c2ccccc2F)C1	5047334	ZXDNBAVIKZETQU-ZDUSSCGKSA-N	325.170	4.277	10	40	EICB	
Cc1ccc(CCC(=O)NCc2ccc(N3CCCCC3)cc2)cc1	10113228	PQUHMFROIMUQPO-UHFFFAOYSA-N	336.479	4.234	10	40	EICB	
CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccccc1	100921141	QFIAAERAQWULMH-RGEXLXHISA-N	347.414	4.262	10	40	EICB	
Cc1cc(C(=O)C(=O)Nc2ccccc2F)c(C)n1-c1ccccc1	6780850	KPLRBJPKOGROFM-UHFFFAOYSA-N	336.366	4.055	10	40	EICB	
Cn1c(-c2ccccc2)cnc1SCc1nc(-c2ccccc2)no1	7130783	RAIPUSHZYQXMEA-UHFFFAOYSA-N	348.431	4.429	10	40	EICB	
O=c1cc(-c2ccccc2)c2cc(Cl)c(O)c(CNC3CC3)c2o1	20590893	XRWJLEDGCISFJE-UHFFFAOYSA-N	341.794	4.071	10	40	EICB	
C[C@@H](NC(=O)NC1CCCCC1)c1ccc(N2CCCCC2)cc1	225757179	HDFCAUSVQXVNPD-MRXNPFEDSA-N	329.488	4.370	10	40	EICB	
CCOc1ccccc1NC1=NC(=O)/C(=C/c2cccs2)S1	546510	XVZMCLLPJGBFSW-UVTDQMKNSA-N	330.434	4.229	10	40	EICB	
COc1ccccc1N1C(=O)/C(=C\c2cccs2)SC1=S	4852314	WGJDFDQTAIOZGL-UKTHLTGXSA-N	333.459	4.163	10	40	EICB	
COc1cccc([C@@H]2N=C(O)c3c(sc4c3CC[C@@H](C)C4)N2)c1O	6468303	FSPZVTJCMUFTQW-JDNHERCYSA-N	344.436	4.016	10	40	EICB	
O=C1N=C(N2CCCC2)S/C1=C\c1ccc(Cl)cc1Cl	15015245	SCPOCBFONHKARO-GHXNOFRVSA-N	327.236	4.060	10	40	EICB	
Cc1ccc(C)n1-c1ccsc1C(=O)N(C)Cc1cccs1	40154937	TZUJWKNYMMZTAT-UHFFFAOYSA-N	330.478	4.489	10	40	EICB	
Cc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)n1C1CC1	409129846	MKMVLWDFUXZUAD-NVNXTCNLSA-N	334.510	4.297	10	40	EICB	
Cc1[nH]c2ccc(C(=O)N(C)Cc3ccc(N(C)C)cc3)cc2c1C	9477056	ZLPUESKVNJAVRK-UHFFFAOYSA-N	335.451	4.123	10	40	EICB	
COCCCC(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12	48354185	FCDNZRUVEHFQRM-QFIPXVFZSA-N	349.430	4.178	10	40	EICB	
CCc1ccc(N/C(C)=C2\C(=O)N(c3ccc(F)cc3)N=C2C)cc1	112111782	LCSXHFLNTMYDFM-UYRXBGFRSA-N	337.398	4.497	10	40	EICB	
O=C(O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1cccnc1)N2	409156148	SETRVZNZKPJLKW-HSMVNMDESA-N	326.783	4.260	10	40	EICB	
Cc1cc(CN2CCn3cccc3[C@@H]2c2ccccc2)ccc1N(C)C	1559608714	YTFCEADKKVURIS-QHCPKHFHSA-N	345.490	4.468	10	40	EICB	
Cc1cccc(N[C@@H](c2ccco2)c2ccc3cccnc3c2O)n1	27644884	UMCBMHAVSLEJKI-LJQANCHMSA-N	331.375	4.438	10	40	EICB	
CCCCCC(=O)Nc1ccc(C2C(=O)c3ccccc3C2=O)cc1	100494902	HIVVLANJMSBLSG-UHFFFAOYSA-N	335.403	4.368	10	40	EICB	
O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1c1ccccc1F	1244349	TXFAKIHVYMOUTI-ZROIWOOFSA-N	333.384	4.371	10	40	EICB	
COc1ccc2c(c1)sc(/N=N/c1ccc(N(C)C)cc1)[n+]2C	5159499	WVUKFQBBZVBJRZ-UHFFFAOYSA-N	327.433	4.216	10	40	EICB	
CC(=O)N[C@H](c1ccc(C(C)C)cc1)c1ccc2cccnc2c1O	87155	MWQWZIWMSWUMLW-LJQANCHMSA-N	334.419	4.289	10	40	EICB	
Nc1cc(Cl)ccc1Nc1nc(-c2ccccc2)ccc1C(=O)O	6864574	ITZVQXOBJPHGCE-UHFFFAOYSA-N	339.782	4.426	10	40	EICB	
O=C(O)[C@H]1CCCN1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1	45221983	UEUNYSDAPYUZKG-FVGNFYTDSA-N	338.367	4.183	10	40	EICB	
CCO[C@@H](C)c1nc(C)c(C(=O)N[C@@H](CC)c2ccccc2O)s1	77006171	APZXWCHFJXIJNO-JSGCOSHPSA-N	348.468	4.136	10	40	EICB	
Cc1cc(O)c(CN2CCC(C)CC2)c2oc(=O)c3ccccc3c12	4540319	VQBCPPRTWOGYCD-UHFFFAOYSA-N	337.419	4.192	10	40	EICB	
Cc1ccc(Nc2ccc(O)c3c2C(=O)[C@H]2C=CC=C[C@@H]2C3=O)c(C)c1	100643785	XCTVLHMEBPTXLG-GJZGRUSLSA-N	345.398	4.490	10	40	EICB	
Cc1ccc(O)c(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1	4673556	LUWNXFPFLQBZEG-GDNBJRDFSA-N	327.430	4.106	10	40	EICB	
Cc1cc(=O)oc2c(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c(O)ccc12	100797024	FBWAJDPTFBTVBL-SZNDQCEHSA-N	341.451	4.208	10	40	EICB	biogenic
COc1cc2c(cc1NCc1nc(C3CC3)no1)oc1ccccc12	55828024	QHZSYKDYTSQLOB-UHFFFAOYSA-N	335.363	4.467	10	40	EICB	
O=C1N=C(Nc2ccccc2)S/C1=C\c1ccc(N2CCCC2)cc1	31643857	PXVCLWIZMSTQCP-JXAWBTAJSA-N	349.459	4.369	10	40	EICB	
CCN1c2cc(C)c(/C=C3/SC(=O)NC3=O)cc2[C@@H](C)CC1(C)C	223577291	KXLBGVGUFVEZCK-RGZVIEDOSA-N	344.480	4.431	10	40	EICB	
CCN(CC)CCOC(=O)c1ccc(/N=N/c2ccc(O)cc2)cc1	4769351	ADUOESXTMZGRDJ-QZQOTICOSA-N	341.411	4.306	10	40	EICB	
Cc1ccc(N/C=C2\SC(=S)N(C3CCCC3)C2=O)c(C)c1	5021787	WPKWHDNYIVYAIV-GDNBJRDFSA-N	332.494	4.360	10	40	EICB	
CCCc1cc(=O)oc2c(CN3CCCC[C@@H]3CC)c(O)ccc12	5046710	LCSSFBMCLVEOCG-HNNXBMFYSA-N	329.440	4.216	10	40	EICB	
COc1ccc(-c2c(C(C)=O)c(C)nc3c2C(=O)c2ccccc2-3)cc1	546334	APKWBXPHBPJINB-UHFFFAOYSA-N	343.382	4.480	10	40	EICB	
Cc1cccc(-n2c(C)cc(C(=O)OCc3c(C)noc3C)c2C)c1	5688302	GKIKETYSBAZNOR-UHFFFAOYSA-N	338.407	4.364	10	40	EICB	
O=C1/C(=C/Nc2ccccc2)SC(=S)N1Cc1ccccc1	96429695	OUJNCFLRBWPNGB-PTNGSMBKSA-N	326.446	4.000	10	40	EICB	
CCCN1C(=O)/C(=C/c2ccccc2O[C@H](C)CC)SC1=S	409346157	NIMINJBBNVCYQS-QJMZJAKPSA-N	335.494	4.475	10	40	EICB	
CN(Cc1ccccc1)Cc1c(O)ccc2c3c(c(=O)oc12)CCCC3	2598879	QUDOKQDBCOZAKD-UHFFFAOYSA-N	349.430	4.009	10	40	EICB	
Cc1ccc(C(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)c(C)c1	260800775	WXSYUWKGUUKPEM-KRWDZBQOSA-N	336.479	4.470	10	40	EICB	
C/C(O)=C(\N=Nc1ccc(C)cc1[N+](=O)[O-])C(=O)Nc1ccccc1	299888614	QGNDAXYFYSPDKJ-ZQFDHWOPSA-N	340.339	4.415	10	40	EICB	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H]2CCCC[C@H]2C)c1	1628329451	KQVCBVRTZNQKBF-VLIAUNLRSA-N	338.451	4.215	10	40	EICB	
COc1cccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c1	408972137	SNJOBTXKQYESNL-PTNGSMBKSA-N	346.308	4.044	10	40	EICB	
COc1ccccc1N/C=C1\SC(=S)N(c2ccccc2)C1=O	618255219	RYGMOEUNNOEPGR-PTNGSMBKSA-N	342.445	4.013	10	40	EICB	
COc1ccc(-c2nc(NCc3ccccc3O)sc2C)cc1	4550805	ALMUYSMEFUOVNM-UHFFFAOYSA-N	326.421	4.445	10	40	EICB	
CC(C)(C)c1n[nH]cc1/C=C1\SC(=S)N(c2ccccc2)C1=O	63276532	MDOFJNKTJTWIAE-LCYFTJDESA-N	343.477	4.113	10	40	EICB	
Oc1ccccc1CN(Cc1ccc(Cl)s1)C[C@@H]1CCCO1	96971047	MFOBQNTXNXPVCT-AWEZNQCLSA-N	337.872	4.288	10	40	EICB	
CCn1c(/C=C/c2cn(C)c3ccccc23)nc2ccccc2c1=O	4600348	JGPWKVUHOJGFAX-OUKQBFOZSA-N	329.403	4.079	10	40	EICB	
Cc1ccc(C(=O)c2c(C)oc3c2C(=O)C(=O)c2ccccc2-3)cc1	4785624	LYTUULBNMPEELR-UHFFFAOYSA-N	330.339	4.173	10	40	EICB	aggregator
COc1ccccc1/C=C1/SC(Nc2ccc(C)cc2C)=NC1=O	16661557	FFVGXGBQUNOMAL-GZTJUZNOSA-N	338.432	4.394	10	40	EICB	
Cc1cc(C(=O)NOCc2ccccc2)c(C)n1-c1ccccc1F	32906380	OBGFXPJNHGGKQG-UHFFFAOYSA-N	338.382	4.095	10	40	EICB	
CCN1C(=O)S/C(=C\c2ccc3c(c2)C(C)=CC(C)(C)N3C)C1=O	208443715	NVTCNVCNBHXCKJ-YBEGLDIGSA-N	342.464	4.375	10	40	EICB	
CC(C)c1ccc(S(=O)(=O)Nc2ccc(O)c3ccccc23)cc1	73775	ZNMJBSHFACRGMV-UHFFFAOYSA-N	341.432	4.470	10	40	EICB	
Cc1ccc(-n2c(C)cc(C(=O)C(=O)Nc3ccccc3)c2C)cc1	6780846	VDAXQLDBHCXQHP-UHFFFAOYSA-N	332.403	4.224	10	40	EICB	
CC1=NN(c2ccccc2)C(=O)/C1=C\C1=Cc2ccccc2O[C@H]1C	12438496	ZHWFTWODSVKPGO-CCNLRRDASA-N	330.387	4.200	10	40	EICB	
COC(=O)c1ccccc1Nc1c(-c2ccc(C)o2)nc2ccccn12	35616056	ITCBIMWDGMOAEQ-UHFFFAOYSA-N	347.374	4.433	10	40	EICB	
Cc1cccc(NC(=S)NCCCN2CCCc3ccccc32)c1	225744604	SQWRGGZWHLUDPS-UHFFFAOYSA-N	339.508	4.124	10	40	EICB	
Cc1cc2n(n1)[C@H](c1ccc(N3CCCC3)cc1)Nc1ccccc1-2	817705	QMHCRZDRXJSFIR-OAQYLSRUSA-N	330.435	4.431	10	40	EICB	
S=C(c1ccc(-c2c(Cl)cccc2Cl)o1)N1CCOCC1	9305257	XGIAZWZAELDTPV-UHFFFAOYSA-N	342.247	4.261	10	40	EICB	
Oc1cccc(C2N(c3ccccc3)CCN2c2ccccc2)c1O	3195328	BPMUEHORMREGTP-UHFFFAOYSA-N	332.403	4.123	10	40	EICB	
Cc1ccsc1/C=C1/C(=O)N(c2ccccc2)N=C1c1ccco1	6790046	CGVZDTNJMNBNIM-NTCAYCPXSA-N	334.400	4.484	10	40	EICB	
COc1ccc(N2CCN(c3cc(C)c4ccc(C)cc4n3)CC2)cc1	6826708	YBRVBNDJOVPVFV-UHFFFAOYSA-N	347.462	4.187	10	40	EICB	
COc1cccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c1	13563707	WNYWLELJYZZFEE-GDNBJRDFSA-N	345.420	4.240	10	40	EICB	
N=c1[nH]n2cc3c(nc2c1/N=N\c1ccccc1)-c1ccccc1CC3	104229631	NGGWIUVLFSRWNG-VHXPQNKSSA-N	340.390	4.323	10	40	EICB	
Cc1ccc(/N=N\c2c(=N)[nH]n3cc4c(nc23)-c2ccccc2C4)cc1	104229705	UFEDBTVNFKBFQR-VHXPQNKSSA-N	340.390	4.437	10	40	EICB	
CCN(CCNC(=S)Nc1cccc(Cl)c1)c1ccc(C)cc1	225792524	NPQOCDXVHQRYSO-UHFFFAOYSA-N	347.915	4.461	10	40	EICB	
CC(=O)c1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1	3044095	ARONYSJOODHXHB-LFIBNONCSA-N	339.441	4.295	10	40	EICB	
Cc1cc2nc(Cc3ccc(N)cc3)oc2c(Br)c1C	62719927	BWQDUDUOSJHRSI-UHFFFAOYSA-N	331.213	4.380	10	40	EICB	
CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1ccc(F)c(Cl)c1	102570082	JFAMDWHLVBGZNA-GXDHUFHOSA-N	329.762	4.198	10	40	EICB	
COc1ccccc1/C=C1/SC(=S)N(c2cccc(F)c2)C1=O	971677	FFEBBDNRRKNEKX-OQLLNIDSSA-N	345.420	4.240	10	40	EICB	
COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1	1505490	PLCADXKCEUVCGJ-RVDMUPIBSA-N	327.430	4.101	10	40	EICB	
COc1ccccc1N/C=C1\C(=O)N(c2cccc(Cl)c2)N=C1C	6796061	VHPIZERGQQQALC-PTNGSMBKSA-N	341.798	4.067	10	40	EICB	
Oc1ccc(/N=N\c2n[nH]c(-c3ccc(Br)cc3)n2)cc1	102703594	SNQXAJCVPFECRN-ZPHPHTNESA-N	344.172	4.355	10	40	EICB	
Cn1cc(/C=C/C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cn1	20674698	QGARDIXZNSHTSI-DYPISWCOSA-N	331.379	4.487	10	40	EICB	
COc1ccc(N2CCN(c3cc(C)c4cccc(C)c4n3)CC2)cc1	3412553	BEKCWACWOPMDFW-UHFFFAOYSA-N	347.462	4.187	10	40	EICB	
CCc1ccc(CCC(=O)NCc2ccc(N3CCCC3)cc2)cc1	10113638	BPPPLGDBYUWYEG-UHFFFAOYSA-N	336.479	4.098	10	40	EICB	
Cc1cccc(NC2=NC(=O)/C(=C/c3ccc(O)c(Cl)c3)S2)c1	60132549	LTVIYNCHJUUMLG-DHDCSXOGSA-N	344.823	4.436	10	40	EICB	
Cc1ccc(C)n1-c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1	408739009	REXQYABOINZWDQ-UHFFFAOYSA-N	336.347	4.222	10	40	EICB	
CCOC(=O)c1[nH]c2ccc(OC)cc2c1/N=N/N1CCC[C@H](C)C1	510358	ZYCFETBRODNEIM-ZKNCDPSRSA-N	344.415	4.084	10	40	EICB	
Cc1nc(-c2ccccc2)ccc1C(=O)N(C)Cc1ccccc1O	78745954	FZOGNUFJKZCDJO-UHFFFAOYSA-N	332.403	4.035	10	40	EICB	
COc1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(F)cc2)cc1	339399	NQWGHFANOHQLPQ-UHFFFAOYSA-N	339.366	4.309	10	40	EICB	
Cc1nc2cc(-c3sccc3-n3c(C)ccc3C)nn2c(O)c1C	100921634	OYJSJNKIRMAAFZ-UHFFFAOYSA-N	338.436	4.188	10	40	EICB	
Cc1cc(C(=O)CSc2nncs2)c(C)n1-c1ccc(F)cc1	4894340	YNPFDRGXDVSLKA-UHFFFAOYSA-N	347.440	4.060	10	40	EICB	
Cc1ccc(C)c(N2C(=O)/C(=C/c3cccnc3)SC2=S)c1	5372338	GXJAYYUZCOLTJT-DHDCSXOGSA-N	326.446	4.104	10	40	EICB	
O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccccn1)N2	59267194	UWMDMCQMWLCEGN-GLKRBJQHSA-N	327.771	4.470	10	40	EICB	
Cc1cccc(C2=NN(C(=O)c3ccco3)[C@@H](c3ccccc3O)C2)c1	97104951	PHVUOGYTBFLQJZ-GOSISDBHSA-N	346.386	4.285	10	40	EICB	
Cc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)c(Cl)c1	192314234	ZMMDQWPFRFTXPW-UHFFFAOYSA-N	328.843	4.179	10	40	EICB	
C[C@H](NC(=S)Nc1ccccc1)c1ccc(N2CCCC2)cc1	225692813	ZEWSHFQGSQQSFS-HNNXBMFYSA-N	325.481	4.334	10	40	EICB	
CCN(CCNC(=S)Nc1ccc(C)cc1)c1ccc(C)cc1	225792289	PQQNPDJHORJYEQ-UHFFFAOYSA-N	327.497	4.116	10	40	EICB	
COc1cc([N+](=O)[O-])cc2c1N[C@@H]([C@H]1CC=CCC1)[C@@H]1CC=C[C@H]21	4132311	PSPLPPYNGLDIRF-FRQROOTJSA-N	326.396	4.414	10	40	EICB	
Cc1cccc(N2C(=O)/C(=C/c3ccccc3O)SC2=S)c1	9188471	FTDSXLUNRYDRIS-GDNBJRDFSA-N	327.430	4.106	10	40	EICB	
Cc1cccc(N[C@H](c2ccccn2)c2ccc3cccnc3c2O)n1	19794067	KRJJOESORRXLIL-FQEVSTJZSA-N	342.402	4.240	10	40	EICB	
CCN(CC)c1ccc(/C=C2\Sc3ccccc3NC2=O)c(O)c1	409094629	FCIATJUWBNPLHY-WQRHYEAKSA-N	340.448	4.324	10	40	EICB	
CCN(CC)Cc1cc2c(-c3ccccc3)cc(=O)oc2c(C)c1O	1518808	KFPDTXWFANKHOR-UHFFFAOYSA-N	337.419	4.316	10	40	EICB	
Oc1c(Br)cccc1CNC12CC3CC(CC(C3)C1)C2	48794528	SPJYZVPVACYDCR-UHFFFAOYSA-N	336.273	4.213	10	40	EICB	
CCOc1ccccc1/C=C1\SC(=S)N(Cc2ccco2)C1=O	9188440	RARXRHOZOLOHTM-GDNBJRDFSA-N	345.445	4.080	10	40	EICB	
O=C(Nc1sc(-c2ccccc2)cc1C(=O)O)c1cccs1	20335025	NFSIGNZMFGXTDE-UHFFFAOYSA-N	329.402	4.427	10	40	EICB	
CCCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S	1178483	BCDFWRMGLBWQGU-FLIBITNWSA-N	342.283	4.060	10	40	EICB	
CCN1C(=O)S/C(=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)C1=O	208219796	UVRFPUPYMAYENG-YUSFRKCESA-N	344.480	4.465	10	40	EICB	
O=[N+]([O-])c1cc(CNc2ccc(Cl)cc2)ccc1N1CCCC1	84414712	XFPYBTIJFFFJLZ-UHFFFAOYSA-N	331.803	4.461	10	40	EICB	
CC[C@@H](Oc1ccccc1)C(=O)NCc1ccc(N(CC)CC)cc1	225312272	PPBGIFJCNSURPN-HXUWFJFHSA-N	340.467	4.007	10	40	EICB	
Oc1c([C@H](Nc2ncccn2)c2ccc(F)cc2)ccc2cccnc12	86086	LYEBONJOTDUHOF-QGZVFWFLSA-N	346.365	4.071	10	40	EICB	
CCN1C(=O)/C(=C\c2ccc(-c3ccccc3F)o2)SC1=S	20619864	CDKQHVDOFZRUPM-NTEUORMPSA-N	333.409	4.307	10	40	EICB	
Cc1cc(O)c(CN(Cc2cccc(F)c2)C[C@H]2CCCO2)cc1C	89570305	IBTMTAXWFKNHCE-HXUWFJFHSA-N	343.442	4.329	10	40	EICB	
O=C(CSc1ccccc1)NCc1ccc(N2CCCCC2)cc1	10113076	TVMPAFFVIOZWJG-UHFFFAOYSA-N	340.492	4.085	10	40	EICB	
COc1ccc(N(Cc2c(C)noc2C)Cc2c(C)noc2C)cc1	47549759	JEKLCAMBBOJIPB-UHFFFAOYSA-N	341.411	4.112	10	40	EICB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCCCC2)o1	106452816	NUFDRKSKGRVAMX-NBVRZTHBSA-N	335.407	4.076	10	40	EICB	
FC(F)(F)c1cccc(N2CCN(C3=Cc4ccccc4C3)CC2)c1	55145708	LWKSZLORGGKGKH-UHFFFAOYSA-N	344.380	4.425	10	40	EICB	
Cc1cc(=O)oc2c(/N=N/c3ccc([N+](=O)[O-])cc3)c(O)ccc12	100597396	SMRNZQCFSXPORG-ISLYRVAYSA-N	325.280	4.131	10	40	EICB	
Cc1ccc(N(C)CCNC(=S)Nc2ccccc2Cl)cc1	225795003	QFURBEZPTBLBTQ-UHFFFAOYSA-N	333.888	4.071	10	40	EICB	
O=C(O)c1ccccc1[C@@H]1Nc2c(cccc2[N+](=O)[O-])[C@@H]2C=CC[C@@H]21	409165997	BSNHEYIIRLUXNP-BWACUDIHSA-N	336.347	4.120	10	40	EICB	
Cc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(Cl)c2Cl)cc1	36974	KMWCRBMMRDSSJP-UHFFFAOYSA-N	346.235	4.117	10	40	EICB	
COc1ccc(N2C(=O)/C(=C\c3cccs3)SC2=S)cc1	4852312	AFYBWAYAWSTYQN-UKTHLTGXSA-N	333.459	4.163	10	40	EICB	
CN(C)c1ccc(CNC(=O)C(c2ccccc2)c2ccccc2)cc1	8170816	OSCSJYZRSKHUJX-UHFFFAOYSA-N	344.458	4.201	10	40	EICB	
CCCN1C(=O)/C(=C/c2cc(Cl)ccc2OCC)SC1=S	409350623	YREWTXZVAYGEMJ-LCYFTJDESA-N	341.885	4.350	10	40	EICB	
CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(N3CCCC3)c(F)c2)C1=O	409070033	MQYCFPPSVUIASE-PILJQMSFSA-N	348.443	4.261	10	40	EICB	
CCCn1cnc2cc(NCc3cc(OC)ccc3OC)ccc21	3907440	HGQXBBKHOFQNDC-UHFFFAOYSA-N	325.412	4.076	10	40	EICB	
Cc1cc(/C=C2\SC(=O)NC2=O)c(C)n1-c1ccc(Cl)cc1	13601402	LHUUGTIADJVUDI-ZSOIEALJSA-N	332.812	4.071	10	40	EICB	
Cc1ccc(-c2n[nH]cc2CNCc2ccc(N3CC=CC3)cc2)cc1	101239519	SBKRTEYOJKRTNK-UHFFFAOYSA-N	344.462	4.051	10	40	EICB	
CCCCOC(=O)c1ccc(NCc2cccc(OCC)c2O)cc1	44836400	PBHFCSTXCRVTBH-UHFFFAOYSA-N	343.423	4.360	10	40	EICB	
O=C(O)c1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccccc1)[C@@H]1CC=C[C@H]21	4640850	PGPYRHJVANSWEO-AHIWAGSCSA-N	336.347	4.120	10	40	EICB	
COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cccc(C)c1	14406554	KQWINNBMFCIZSU-AQTBWJFISA-N	339.435	4.000	10	40	EICB	
COc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1	16692946	PLCADXKCEUVCGJ-PTNGSMBKSA-N	327.430	4.101	10	40	EICB	
COc1ccc(/N=N/c2c(N)nn3cc4c(nc23)CCCCC4)cc1	16958962	MCVCFMZTEUQQSG-QURGRASLSA-N	336.399	4.004	10	40	EICB	
O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(-c2ccccc2)o1	530624	DRUDZYMMQDEITE-LGMDPLHJSA-N	338.432	4.403	10	40	EICB	
Cc1cccc(N2C(=O)S/C(=C\c3ccc(N(C)C)cc3)C2=O)c1	1198092	QWXCHTAIAQZUAR-ATVHPVEESA-N	338.432	4.302	10	40	EICB	
O=C1N=C(Nc2ccccc2F)S/C1=C\c1c[nH]c2ccccc12	5374483	RQJYRLJWXATJNF-SXGWCWSVSA-N	337.379	4.389	10	40	EICB	
CCc1ccccc1N1C(=O)/C(=C\c2cccc(O)c2)SC1=S	35038792	RIINNHWHYWETFZ-LFIBNONCSA-N	341.457	4.360	10	40	EICB	
CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=C/c1ccco1	100317891	LJIJGOAXZKQKSX-XNTDXEJSSA-N	335.388	4.209	10	40	EICB	
Cc1cc2oc(=O)cc(-c3ccccc3)c2c(O)c1CN1CCCC1	45106	XOHXOILMMLLTCH-UHFFFAOYSA-N	335.403	4.070	10	40	EICB	
COc1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(C)cc2)cc1	9280349	QTLYGBXFHABWDI-UHFFFAOYSA-N	335.403	4.479	10	40	EICB	
CCC1(c2ccc(Br)cc2)C(=O)c2ccccc2C1=O	59500829	SDYHDIDJGZESPH-UHFFFAOYSA-N	329.193	4.176	10	40	EICB	
C/C(O)=C(/N=Nc1ccc(C)cc1[N+](=O)[O-])C(=O)Nc1ccccc1	299888613	QGNDAXYFYSPDKJ-PQUVRPEGSA-N	340.339	4.415	10	40	EICB	
Cc1ccc(NC(=S)NCCCN(C)c2ccccc2)cc1C	7558616	HRWZRWARAHXENF-UHFFFAOYSA-N	327.497	4.116	10	40	EICB	
COc1ccc(N2C(=O)/C(=C\c3ccsc3)SC2=S)cc1	5023141	JASIZNHLIZSZFS-MDWZMJQESA-N	333.459	4.163	10	40	EICB	
CCc1ccc(/C=C2/SC(Nc3ccccc3OC)=NC2=O)cc1	6870913	WDDSPJUMIWFXTB-SFQUDFHCSA-N	338.432	4.340	10	40	EICB	
COc1ccc2c(c1)C(C)(C)[C@@]1(C=Cc3cccc(OC)c3O1)N2C	267126	QXIRZPKBUUZWQL-NRFANRHFSA-N	337.419	4.233	10	40	EICB	biogenic
COc1ccc(C2(Cc3ccccc3)C(=O)c3ccccc3C2=O)cc1	348228	RILWBIIOYRUOTB-UHFFFAOYSA-N	342.394	4.255	10	40	EICB	
O=C1S[C@H](Nc2cccc3ccccc23)C(=O)N1c1ccccc1	1064853	NDETVYXIPSIMEI-KRWDZBQOSA-N	334.400	4.478	10	40	EICB	
Cc1ccccc1N1C(=O)/C(=C\c2cccc(O)c2)SC1=S	6206539	PPISYMCHLMMWJW-XNTDXEJSSA-N	327.430	4.106	10	40	EICB	
COC(=O)c1ccc(NC(=O)c2cccc(-n3c(C)ccc3C)c2)cc1	7468511	TUKGZJGOMAOLON-UHFFFAOYSA-N	348.402	4.133	10	40	EICB	
COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccccc1	408896773	ZYANYGAATWOLBB-ATPAHOSSSA-N	347.414	4.120	10	40	EICB	
Cc1ccc2nc(-c3ccco3)c(Nc3ccc4c(c3)OCO4)n2c1	3909822	CUZANTKMAMMNOB-UHFFFAOYSA-N	333.347	4.375	10	40	EICB	
CCN(CC)c1ccc(/C=C2\OC(=O)c3cc([N+](=O)[O-])ccc32)cc1	17118078	JTZFHPWUFGPJOX-WQRHYEAKSA-N	338.363	4.110	10	40	EICB	
COc1cc(OC)c(NCc2cc(Cl)ccc2O)cc1Cl	20553036	IAFHWCPRAOUMRE-UHFFFAOYSA-N	328.195	4.328	10	40	EICB	
Nc1nc(O)c(/N=N\c2ccccc2)c(NCCCc2ccccc2)n1	104170438	ZDQIQKORMYKGGH-IZHYLOQSSA-N	348.410	4.225	10	40	EICB	
CCCN1C(=O)/C(=C\c2cc(Cl)c(O)c(Cl)c2)SC1=S	409348270	SHEMBCLKTWGCGX-UXBLZVDNSA-N	348.276	4.310	10	40	EICB	
Cc1cc(C(=O)OCC(=O)C(C)(C)C)c(C)n1-c1ccc(F)cc1	3302448	JIKMMJZPYGNUKX-UHFFFAOYSA-N	331.387	4.005	10	40	EICB	
COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cccc(C)c1	5968491	XWUOEPQDZKLWGP-UYRXBGFRSA-N	347.414	4.181	10	40	EICB	
Oc1ccc(C2=NN3[C@H](c4cccnc4)Oc4ccccc4[C@H]3C2)cc1	10215392	AHDDVDGOWZWOFF-CTNGQTDRSA-N	343.386	4.030	10	40	EICB	
Cc1ccc(O)c(NC2=NC(=O)/C(=C/c3c[nH]c4ccccc34)S2)c1	40470736	GNEMXTCTKFTMBP-MFOYZWKCSA-N	349.415	4.264	10	40	EICB	
O=C1/C(=C\c2ccccc2O)C(c2ccccc2)=NN1c1ccccc1	409084056	PAHXVBGHZSEYOF-CYVLTUHYSA-N	340.382	4.227	10	40	EICB	
O=C1N=C(Nc2ccc(Cl)cc2)S/C1=C\c1cccc(O)c1	4426152	HDFJPCZDSWSRSZ-ZROIWOOFSA-N	330.796	4.128	10	40	EICB	
Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c(C(C)C)c2)cc1	5929768	BKBKKAHDQJQGPP-UHFFFAOYSA-N	339.844	4.278	10	40	EICB	
CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C\NCc1cccs1	12410874	AFVAYYZZCVNVKR-VBKFSLOCSA-N	343.427	4.064	10	40	EICB	
Cc1cccc(COc2ccc(/C=C3\SC(=S)NC3=O)cc2)c1	15055771	AYIRSLWTXZIWFY-YBEGLDIGSA-N	341.457	4.063	10	40	EICB	
Cc1cccc(N[C@H](c2cccnc2)c2ccc3cccnc3c2O)n1	21729068	LFZRZBCBGYZINQ-LJQANCHMSA-N	342.402	4.240	10	40	EICB	
O=C(O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2	4116904	LHSUTBGPVJHKPC-RLFYNMQTSA-N	336.347	4.120	10	40	EICB	
COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccccn1)N2	6950362	AUAZTKCYZSUNPY-BWACUDIHSA-N	340.810	4.348	10	40	EICB	
CCc1ccc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)cc1	1149177	VJWVREWKTDRZNT-XNTDXEJSSA-N	329.446	4.243	10	40	EICB	
Cc1cccc(N/C=C2/SC(=S)N(c3ccc(O)cc3)C2=O)c1	4109180	ULMOPPGJGNQOBM-XNTDXEJSSA-N	342.445	4.019	10	40	EICB	
Cc1cccc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)n1	409343003	DECCILSKHDPGFH-MHWRWJLKSA-N	340.473	4.413	10	40	EICB	
CC(C)OC(=O)c1cccc(/N=N/c2ccc(O)c(C(=O)O)c2)c1	70462692	AABYXEFUBGLYMY-VHEBQXMUSA-N	328.324	4.071	10	40	EICB	
Oc1ccccc1[C@H](Nc1nccs1)c1ccc2cccnc2c1O	67162	VMIMNLFMPPMDIV-KRWDZBQOSA-N	349.415	4.304	10	40	EICB	
COc1cc(C)cc(CN2CCC(Cc3ccccc3)CC2)c1O	3373848	CFGVTDHZGNENDD-UHFFFAOYSA-N	325.452	4.164	10	40	EICB	
Cc1ccc(S(=O)(=O)Oc2ccc(-n3c(C)ccc3C)cc2)cc1	4859431	OWDKFDPBHFADQG-UHFFFAOYSA-N	341.432	4.170	10	40	EICB	
O=C(O)CCc1ccc(-c2ccc(F)cc2)n1-c1ccc(F)cc1	408947572	NZBMCLBPLANHKQ-UHFFFAOYSA-N	327.330	4.440	10	40	EICB	
CC(=O)c1ccc(N/C=C2\C(=O)N(c3ccc(C)c(C)c3)N=C2C)cc1	15134069	GJHUXNNOWZPJNQ-NDENLUEZSA-N	347.418	4.225	10	40	EICB	
Cc1c(C(=O)O)ccc2c1N[C@H](c1ccccc1C(=O)O)[C@H]1CC=C[C@@H]21	409163509	SNRXUMQDFGYXDI-TYILLQQXSA-N	349.386	4.218	10	40	EICB	
CN(C)c1ccc(/C=C/c2nc3n(n2)C=COc2ccccc2-3)cc1	8036224	FMKVTIGLTWWTSI-FMIVXFBMSA-N	330.391	4.002	10	40	EICB	
COc1cccc(/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2C)c1	13602623	ZHEWBJYTKDICCZ-YVLHZVERSA-N	326.783	4.155	10	40	EICB	
CN(Cc1ccccc1)[C@@H](c1ccccc1)c1cc2c(cc1O)OCO2	20761940	TVABVMJFVZRKFT-QFIPXVFZSA-N	347.414	4.342	10	40	EICB	biogenic
O=C1/C(=C/c2cccnc2)SC(=S)N1c1ccc(Cl)cc1	1158614	RZDDTDPZJURUAP-JYRVWZFOSA-N	332.837	4.141	10	40	EICB	
O=C1/C(=C/C=C/c2ccco2)SC(=S)N1Nc1ccccc1	2450211	PUMROWDKWGLDGI-NDUUIVGLSA-N	328.418	4.064	10	40	EICB	
C[C@@H](NCc1ccc(N(C)CCO)cc1)c1cccc2ccccc12	32735876	PSFNXJBBNPZJJY-QGZVFWFLSA-N	334.463	4.119	10	40	EICB	
Oc1ccccc1[C@H](Nc1ccccn1)c1ccc2cccnc2c1O	38229	WDUVBQZZERJUFX-FQEVSTJZSA-N	343.386	4.243	10	40	EICB	
O=C(O)c1cccc2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21	1515165	SLZXXWORYGGPLE-VBQJREDUSA-N	336.347	4.120	10	40	EICB	
Cc1ccc(NC(=O)c2nc[nH]c2/N=N/c2ccc(O)cc2C)cc1	6694326	NPICDUKPAYHLBA-GHVJWSGMSA-N	335.367	4.400	10	40	EICB	
O=c1oc2c(CN3CCCCC3)c(O)c(Cl)cc2c2c1CCCC2	19789543	YFYMWFNBNWLLTC-UHFFFAOYSA-N	347.842	4.017	10	40	EICB	
Oc1ccc(-c2csc(Cc3nc4ccccc4s3)n2)cc1O	21908649	NFCCYWRTNZHHOH-UHFFFAOYSA-N	340.429	4.422	10	40	EICB	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccc(C)cc1	4359710	DECMYPZKPVLGCF-BOPFTXTBSA-N	325.799	4.367	10	40	EICB	
CCCCc1cc(=O)oc2c(CN(CC)CC)c(O)c(Cl)cc12	19911595	UHNOHCDBXDQTMX-UHFFFAOYSA-N	337.847	4.336	10	40	EICB	aggregator
CN1C(=O)c2ccccc2N[C@@H]1c1ccc(N2CCCCCC2)cc1	24210719	DHFBYLWEYQIDNS-FQEVSTJZSA-N	335.451	4.263	10	40	EICB	
O=[N+]([O-])c1ccccc1[C@H]1Nc2c(cccc2[N+](=O)[O-])[C@H]2C=CC[C@H]21	4123621	CLXVLQZKEKFOOF-JKDFXYPNSA-N	337.335	4.330	10	40	EICB	
CN(CCCNC(=S)Nc1ccc(Cl)cc1)c1ccccc1	6544614	RFJIVFLDIRQPCD-UHFFFAOYSA-N	333.888	4.153	10	40	EICB	
FC(F)(F)c1cc(NC(=S)NCc2ccccn2)ccc1Cl	33897563	BHNBQBJNCYRNNJ-UHFFFAOYSA-N	345.777	4.240	10	40	EICB	
Cc1noc2c1[C@H](c1ccc(O)c(O)c1)C1=C(O)CC(C)(C)CC1=N2	102733901	KRTLHXUIMSQSOL-INIZCTEOSA-N	340.379	4.244	10	40	EICB	
CCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(F)c3)c2C)C1=O	409073338	GZRWUHXQSRKDLD-CXUHLZMHSA-N	344.411	4.289	10	40	EICB	
CCCCn1cnc2cc(NCc3cccc(OC)c3O)ccc21	2339815	DEJAGSZFGHVFBM-UHFFFAOYSA-N	325.412	4.163	10	40	EICB	
CC(=O)c1ccc(N2C(=O)/C(=C/c3ccccc3)SC2=S)cc1	3069359	AHQBKYYVRUHIND-WJDWOHSUSA-N	339.441	4.295	10	40	EICB	
CCCn1cnc2cc(NCc3ccc(OC)c(OC)c3)ccc21	3907444	URGLLWPELGVBME-UHFFFAOYSA-N	325.412	4.076	10	40	EICB	
CN(C)c1ccc(-c2nc(-c3ccc4c(c3)CC(=O)N4)cs2)cc1	12543554	OOXGMPVGYYGQRR-UHFFFAOYSA-N	335.432	4.038	10	40	EICB	
O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(F)cc1Cl	32914709	DWTQWYLKPOCJJI-UHFFFAOYSA-N	332.806	4.009	10	40	EICB	
O=C1/C(=C/c2cccnc2)SC(=S)N1c1cccc(Cl)c1	13583361	KOGFOOUMABYCIX-QPEQYQDCSA-N	332.837	4.141	10	40	EICB	
O=C1/C(=C\c2csc([N+](=O)[O-])c2)SC(=S)N1c1ccccc1	84549206	ZJMJEQVCHSLIGQ-IZZDOVSWSA-N	348.430	4.062	10	40	EICB	
CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)NC1CCCCC1	112110106	WTNRPWPPGZAQOP-CYVLTUHYSA-N	325.456	4.386	10	40	EICB	
CCCN1C(=O)/C(=C\c2c(C)n(C)c3ccccc23)SC1=S	409334878	XWXZFOWWNWNGEY-XNTDXEJSSA-N	330.478	4.098	10	40	EICB	
CN1CCC[C@H](NC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1	70040674	ZCSYDWLTHVOBJU-CCWVLBSLSA-N	337.427	4.318	10	40	EICB	
Cc1cc(N2CCCC2)c(F)cc1/C=C1\SC(=O)N(C(C)C)C1=O	108252957	CTYSHDHCTZSCNP-YBEGLDIGSA-N	348.443	4.179	10	40	EICB	
COc1ccc(-c2ccc(C(=O)Nc3ccc(N)cc3)o2)cc1Cl	227157647	NQOCYAIWSVJMGV-UHFFFAOYSA-N	342.782	4.443	10	40	EICB	
Cc1c(O)c(CN2CCCCC2)cc2c3c(c(=O)oc12)CCCCC3	4540375	IPRGFPMSZHNHNH-UHFFFAOYSA-N	341.451	4.062	10	40	EICB	
CCc1ccc(/C=C2/SC(Nc3ccc(OC)cc3)=NC2=O)cc1	6870895	FQHBNLVSUBEVEW-SFQUDFHCSA-N	338.432	4.340	10	40	EICB	
C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3/SC(S)=NC3=O)cc21	108228607	CRXNDAIXBFJJAW-WWNSAXIVSA-N	332.494	4.309	10	40	EICB	
CN(C)c1ccc([C@@H]2SCCN2C(=O)Nc2ccc(F)cc2)cc1	28232380	PPYDRXXALLUIOH-KRWDZBQOSA-N	345.443	4.171	10	40	EICB	
COc1cc([N+](=O)[O-])cc2c1N[C@@H]([C@H]1CC=CCC1)[C@H]1CC=C[C@H]21	4132306	PSPLPPYNGLDIRF-OWCBBSPXSA-N	326.396	4.414	10	40	EICB	
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1cccc(C)c1	4180242	CBLOQKHGVSSTBY-GZTJUZNOSA-N	325.799	4.367	10	40	EICB	
O=C1N=C(N2CCCCCC2)S/C1=C\c1c(F)cccc1Cl	9188853	UZJYTNZHKKCSKI-UVTDQMKNSA-N	338.835	4.325	10	40	EICB	
C[C@H]1CCCN(c2ccc(CNC(=O)NC3CCCCC3)cc2)C1	225757591	AMKBWLHAAHWVNI-INIZCTEOSA-N	329.488	4.055	10	40	EICB	
Cc1ccc(C(=O)O)c2c1N[C@H](c1ccccc1C(=O)O)[C@H]1CC=C[C@@H]21	409151431	BIMXXFCRUQIDSI-NQCMUKECSA-N	349.386	4.218	10	40	EICB	
CN1CCN(Cc2c(O)ccc3ccccc23)[C@H](c2ccccc2)C1	58403858	FXJFPYHJNQLXRH-NRFANRHFSA-N	332.447	4.034	10	40	EICB	
S=C(NCCCN1CCc2ccccc21)Nc1ccccc1Cl	225558754	PHAMXWDFDDPBIQ-UHFFFAOYSA-N	345.899	4.079	10	40	EICB	
COC(=O)c1ccc(/C=C2\C=C(c3ccc(C)c(C)c3)OC2=O)cc1	409053393	CGKSPMVBJQQDLY-WOJGMQOQSA-N	334.371	4.071	10	40	EICB	
O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccccc1	1601140	NQIBXBASJXCFSZ-UVTDQMKNSA-N	342.401	4.001	10	40	EICB	
O=C(O)c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc1	13389138	HCIYEXVHIYQVBY-RKVPGOIHSA-N	336.347	4.120	10	40	EICB	
COC(=O)c1cc(CSc2ncc(-c3ccccc3)n2C)oc1C	7129291	LJXWRZFEVNJJOX-UHFFFAOYSA-N	342.420	4.067	10	40	EICB	
COc1ccc2ccc(O)c(CN(Cc3ccncc3)C3CC3)c2c1	7317929	IEQGSEBIUZQALO-UHFFFAOYSA-N	334.419	4.114	10	40	EICB	
Cc1ccccc1COc1ccc(/C=C2\SC(=S)NC2=O)cc1	13943855	VPPRNJBPJRGMLI-YBEGLDIGSA-N	341.457	4.063	10	40	EICB	
Oc1ccc2ccncc2c1CN1CCC(OCc2ccccc2)CC1	54845527	HFTHVMMDEHEFBD-UHFFFAOYSA-N	348.446	4.122	10	40	EICB	
CCN(CCNC(=S)Nc1ccc(C)c(C)c1)c1ccc(C)cc1	225792424	JPIMYYWXUVSUOU-UHFFFAOYSA-N	341.524	4.425	10	40	EICB	
COc1ccc(N2C(=O)/C(=C/c3cccs3)SC2=S)cc1	1086543	AFYBWAYAWSTYQN-LCYFTJDESA-N	333.459	4.163	10	40	EICB	
CCCCc1nc2sc(C(=O)OCC)c(N)c2c2c1CCCC2	4785740	RCOOVAZTLDLBNY-UHFFFAOYSA-N	332.469	4.277	10	40	EICB	
Cc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(C)c1O	32789421	GQPACVUCEQDKNY-GDNBJRDFSA-N	341.457	4.415	10	40	EICB	
Cc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=S)NC2=O)c1C	408996535	PWFCTGQBRBQCLH-DHDCSXOGSA-N	342.489	4.200	10	40	EICB	
O=C(c1ccccc1)c1ccccc1NC(=S)NCc1ccccc1	8156572	JFGADKVABFHVQZ-UHFFFAOYSA-N	346.455	4.404	10	40	EICB	
Cc1cc(/C=C2\SC(=S)N(C)C2=O)c(C)n1C1CCCCC1	98086293	NBZAQWIZXWWPBE-GDNBJRDFSA-N	334.510	4.441	10	40	EICB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCCC2)cc1C	408960854	OVEOLFAQKCIFAT-RCCKNPSSSA-N	345.446	4.401	10	40	EICB	
Cc1ccc(C(=O)O)c2c1N[C@H](c1ccc(C(=O)O)cc1)[C@@H]1CC=C[C@@H]21	409172907	GMCAGEWRVQBZGN-SPYBWZPUSA-N	349.386	4.218	10	40	EICB	
O=C1NC(=S)S/C1=C\c1ccc(-c2nc3ccccc3s2)o1	2439112	SMECZWFCPJDBIE-GHXNOFRVSA-N	344.442	4.045	10	40	EICB	
O=[N+]([O-])c1ccc([C@H]2Nc3c(cccc3[N+](=O)[O-])[C@H]3C=CC[C@H]32)cc1	4714163	YMVUKSQPEIRBPV-JJRVBVJISA-N	337.335	4.330	10	40	EICB	
COc1ccc(N/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2C)cc1	5327837	CDOWFFHKRPSKSK-BOPFTXTBSA-N	341.798	4.067	10	40	EICB	
COc1ccc(C2=N/C(=C/c3ccco3)C(=O)N2c2ccccc2)cc1	408753535	NGMQSFJYUAUTNL-XMHGGMMESA-N	344.370	4.123	10	40	EICB	
CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cccc(Cl)c1	408896476	YWCINBBHNOMBHJ-YBEGLDIGSA-N	347.842	4.059	10	40	EICB	
COc1cccc(-n2c(CCC(=O)O)ccc2-c2ccc(F)cc2)c1	408945178	KJFJVFJJVFUCFN-UHFFFAOYSA-N	339.366	4.309	10	40	EICB	
CCN(CCCNC(=S)Nc1cccc(F)c1)c1ccc(C)cc1	225733648	KFJSLGQEBUKUAT-UHFFFAOYSA-N	345.487	4.337	10	40	EICB	
O=C(O)c1ccc(/N=N/c2c(O)ccc3ccccc23)cc1C(=O)O	5604948	CIJUMQWQLRCXDZ-FMQUCBEESA-N	336.303	4.357	10	40	EICB	
Cc1cc(/C=C2\SC(=S)NC2=O)c(C)n1-c1cccc(Cl)c1	14011292	UPOGZXABQLMYAM-AUWJEWJLSA-N	348.880	4.236	10	40	EICB	
Nc1ccc(NC(=O)c2cccc3c(Br)cccc23)cc1	227156986	XILHZKNSAAWGNZ-UHFFFAOYSA-N	341.208	4.437	10	40	EICB	
Cc1cc2c(cc1/C=C1/SC(=O)N(C)C1=O)[C@@H](C)CC(C)(C)N2C	208233554	TZWJUMGIITYULQ-RGZVIEDOSA-N	344.480	4.383	10	40	EICB	
[O-][n+]1cc(/N=N/c2ccc(Cl)cc2)nn1-c1ccc(Cl)cc1	18177098	PRYSPQGVALJZFT-ISLYRVAYSA-N	334.166	4.228	10	40	EICB	
Nc1ccc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1	36720732	HBZFIVVDIWDSAW-UHFFFAOYSA-N	334.375	4.079	10	40	EICB	
C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)Cc3cccs3)cc2)C1	223207149	QHOLZBNBIWQFJU-HZPDHXFCSA-N	342.508	4.404	10	40	EICB	
Cc1ccc(C)n1-c1ccsc1C(=O)N(C)CCc1ccccc1	58345190	MBPWQCYSLKBBMD-UHFFFAOYSA-N	338.476	4.470	10	40	EICB	
Cc1cccc(N2C(=O)/C(=C/c3cccc(C)n3)SC2=S)c1	409327570	KWHLKTUPDUQELO-GDNBJRDFSA-N	326.446	4.104	10	40	EICB	
CCCN1C(=O)/C(=C\c2c[nH]c3c(CC)cccc23)SC1=S	409349394	PPSMSSGOBFXOPG-NTEUORMPSA-N	330.478	4.342	10	40	EICB	
CCc1cc2c(C)cc(=O)oc2c(CN2CCCC[C@@H]2CC)c1O	38088	VNJQRLQPSJKPFE-HNNXBMFYSA-N	329.440	4.134	10	40	EICB	biogenic
CCN(CC)c1ccc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)cc1	353425	RXAOAEUFYOTJHT-RGEXLXHISA-N	334.419	4.186	10	40	EICB	
O=C1/C(=C/c2cccc(F)c2)SC(=S)N1Cc1ccccc1	1194719	RALKUQLRJIOYAJ-GDNBJRDFSA-N	329.421	4.227	10	40	EICB	
Cc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)c2ccccn2)c1	28288078	YSNZAHKFWSETPQ-UHFFFAOYSA-N	345.446	4.303	10	40	EICB	
COC(=O)c1ccc(/C=C2\C=C(c3cc(C)ccc3C)OC2=O)cc1	409051821	NFCSWSSXZZBTKF-GZTJUZNOSA-N	334.371	4.071	10	40	EICB	
O=C(NCc1ccc(N2CCCCC2)cc1)c1cc2ccccc2o1	62225604	ZWPBTXMJRDAUFO-UHFFFAOYSA-N	334.419	4.353	10	40	EICB	
CCCN1C(=O)/C(=C/c2ccc(OC)c3ccccc23)SC1=S	409346872	OPGMGHJOADPZAV-WJDWOHSUSA-N	343.473	4.460	10	40	EICB	
Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccc(Cl)cc1	13800611	HVWJNOOJGKPXAC-DHDCSXOGSA-N	346.839	4.414	10	40	EICB	
CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1cccc2ccc(C)nc12	100821573	LFDITFAPHXHNBV-AQTBWJFISA-N	342.402	4.262	10	40	EICB	
CCCC(=O)OCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1	17822657	WOHVRQVPVZRUIK-QZQOTICOSA-N	325.368	4.384	10	40	EICB	
CCOc1ccccc1N/C=C1/SC(=S)N(C2CCCC2)C1=O	5021786	VYJHSRWTBCRLPV-RVDMUPIBSA-N	348.493	4.142	10	40	EICB	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cccs2)cc1	6804316	NDWZSXZYNZPXED-UHFFFAOYSA-N	340.448	4.250	10	40	EICB	
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cccc(C)c1	14406579	SMMSHTLUPJYBBD-RGEXLXHISA-N	347.414	4.262	10	40	EICB	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc2cc(F)ccc2[nH]1	40058825	AWENWBUQHJXSTG-UHFFFAOYSA-N	339.414	4.035	10	40	EICB	
Cc1cc(N2CCCC2)ccc1/C=C1\SC(=O)N(C(C)C)C1=O	408960366	LFVGPOXROZQUTB-WJDWOHSUSA-N	330.453	4.040	10	40	EICB	
O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccn1)N2	409158689	YETDJPUNZIHBGL-PSTGCABASA-N	327.771	4.470	10	40	EICB	
COCCCN1C(=O)/C(=C\c2cccc3ccccc23)SC1=S	5504874	FANOQXHAOLEVFV-FOWTUZBSSA-N	343.473	4.078	10	40	EICB	
O=[N+]([O-])c1ccccc1[C@H]1Nc2c(cccc2[N+](=O)[O-])[C@H]2C=CC[C@@H]21	4123634	CLXVLQZKEKFOOF-PRXAMGSTSA-N	337.335	4.330	10	40	EICB	
COc1cccc([C@@H](Cc2ccccc2)NCc2ccccc2)c1O	31923723	DREJHPHFNSAAHL-HXUWFJFHSA-N	333.431	4.474	10	40	EICB	
O=C1NC(=O)/C(=C/c2cc(/N=N/c3ccccc3)ccc2O)S1	103305752	FWGNIJGEUMAROS-DXMVAZHNSA-N	325.349	4.132	10	40	EICB	
CCCCOC(=O)c1ccc(NCc2ccc(N(C)C)cc2)cc1	2250700	TZESIZALDQQFEC-UHFFFAOYSA-N	326.440	4.322	10	40	EICB	
CN(C)c1ccc(CNC(=O)c2ccccc2-c2ccccc2)cc1	17805646	HKKZKOPJCKYUCP-UHFFFAOYSA-N	330.431	4.350	10	40	EICB	
CCc1ccccc1N1C(=O)/C(=C\c2ccc(O)cc2)SC1=S	35038815	FQNAYESJGVGZLW-LFIBNONCSA-N	341.457	4.360	10	40	EICB	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccc(O)cc1C	5336871	IPXIPJXUQQBKJY-YBEGLDIGSA-N	341.798	4.073	10	40	EICB	
Cc1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCCC3)cc2)n1	225696985	JEPVBVOVCOAEMC-HNNXBMFYSA-N	340.496	4.038	10	40	EICB	
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\NNc1ccc(C)c(C)c1	4413333	RMKPBMLLKKKHTR-NDENLUEZSA-N	348.450	4.143	10	40	EICB	
CC(=O)Oc1cccc2ccc(/C=C/c3ccc(N(C)C)cc3)nc12	16321865	ZUHSTNGMQBWOFH-YRNVUSSQSA-N	332.403	4.397	10	40	EICB	
Cc1ccc(O)c(CN(CCCn2ccnc2)C[C@H]2CC=CCC2)c1	36740228	NTOKJWFWFNELKB-IBGZPJMESA-N	339.483	4.146	10	40	EICB	
CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCc1ccc(Cl)cc1	103916292	CNSWQDXIVODPKA-AQTBWJFISA-N	339.826	4.126	10	40	EICB	
CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccc(Cl)cc1	112110150	BXSGYRTZAGPPRW-ATVHPVEESA-N	325.799	4.449	10	40	EICB	
CCCC[C@H](CC)CN1C(=O)/C(=C\c2cccnc2)SC1=S	5694879	POKVGKJDASKTQX-LERPTODRSA-N	334.510	4.499	10	40	EICB	
COc1cccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)c1	47219350	VRKZBTQFTAXIHN-GDNBJRDFSA-N	345.420	4.240	10	40	EICB	
Cc1cccc(N2C(=O)/C(=C/c3ccccn3)SC2=S)c1C	1238013	CKAUEXBPTBAATP-GDNBJRDFSA-N	326.446	4.104	10	40	EICB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(O)cc3)SC2=S)cc1C	6173813	UWJFABRXHMSSSV-MHWRWJLKSA-N	341.457	4.415	10	40	EICB	
COc1ccc(N/C=C2\C(=O)N(c3ccc(C)cc3C)N=C2C)cc1	95471584	SBXAVLKXSAINJY-PDGQHHTCSA-N	335.407	4.031	10	40	EICB	
O=S(=O)(O)c1ccc2c(/N=N\c3ccccc3)c(O)ccc2c1	100407968	GTRGJJDVSJFNTE-ZCXUNETKSA-N	328.349	4.208	10	40	EICB	
CCc1ccc(N2C(=O)N=C(O)/C(=C/C=C\c3ccccc3)C2=O)cc1	33304725	RPUMZHQMCVJAIJ-BRMXFPEKSA-N	346.386	4.312	10	40	EICB	
COCCCNCc1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C	223675106	WUOWLWCHYCKWBA-UHFFFAOYSA-N	340.389	4.239	10	40	EICB	
Oc1c(Cl)cc(Cl)cc1C1=NN[C@@H](c2ccccc2F)C1	5047335	ZXDNBAVIKZETQU-CYBMUJFWSA-N	325.170	4.277	10	40	EICB	
COc1ccccc1C(=O)CSc1ncc(-c2ccccc2)n1C	7129107	IYUWKIGTIRRHJY-UHFFFAOYSA-N	338.432	4.071	10	40	EICB	
CN(Cc1ccccc1O)C(=O)c1c[nH]cc1-c1ccc(Cl)s1	65515488	GBTSVCVCWGCYQJ-UHFFFAOYSA-N	346.839	4.374	10	40	EICB	
Nc1c(C(=O)O)sc2nc(-c3ccccc3)cc(C(F)(F)F)c12	105397	MKXSKSYKJNXBGH-UHFFFAOYSA-N	338.310	4.263	10	40	EICB	
Cc1cc(O)c(CN(Cc2ccccc2)C[C@H]2CCCO2)cc1C	60112639	SSEBVWOGKAMEEX-HXUWFJFHSA-N	325.452	4.190	10	40	EICB	
Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccccc1Cl	408812918	CCHAJKLGLABFHX-DHDCSXOGSA-N	346.839	4.414	10	40	EICB	
O=C(C(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1	1811677	WNRSXVBUMAVXMU-UHFFFAOYSA-N	347.326	4.453	10	40	EICB	
Cc1c(O)c(CN2CCC[C@H](C)C2)cc2c1oc(=O)c1ccccc12	5071561	MXUUGTAPKAJVPF-ZDUSSCGKSA-N	337.419	4.192	10	40	EICB	
COc1cccc([C@@H]2N=C(O)c3c(sc4c3CC[C@H](C)C4)N2)c1O	6469151	FSPZVTJCMUFTQW-XXFAHNHDSA-N	344.436	4.016	10	40	EICB	
CC(=O)c1ccc(N2C(=O)/C(=C\c3cccs3)SC2=S)cc1	5371611	PUWYLUFSGWUGII-NTEUORMPSA-N	345.470	4.357	10	40	EICB	
Cc1cc(/N=N/C(=O)c2cccnc2)c(C)n1-c1cccc(C(=O)O)c1	5587471	CVDUZBCPURUGRO-QURGRASLSA-N	348.362	4.111	10	40	EICB	
O=C1/C(=C/c2ccccc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	16450953	BMWUJJCUJVFJDF-UVTDQMKNSA-N	342.401	4.001	10	40	EICB	
Nc1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1	20010368	HSTZRQZVAMNQPG-UHFFFAOYSA-N	343.474	4.180	10	40	EICB	
O=C1/C(=C\C=C\c2ccco2)SC(=S)N1Nc1ccccc1	27533599	PUMROWDKWGLDGI-QXAPVUDZSA-N	328.418	4.064	10	40	EICB	
CN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F	77258335	XLYXBMFXXPVPQM-CABCVRRESA-N	349.352	4.173	10	40	EICB	
CCc1cccc(CC)c1NC(=S)NNc1nc2ccccc2[nH]1	12658906	VLHDPVFFDIQSQT-UHFFFAOYSA-N	339.468	4.001	10	40	EICB	
CN(C)c1ccc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1	32597707	BKOAIOSPVSTOJN-KRWDZBQOSA-N	332.856	4.185	10	40	EICB	
CCOc1cccc(CNc2ccc(OC(F)(F)F)cc2)c1O	44836424	BGGSTCMOMGTXRR-UHFFFAOYSA-N	327.302	4.302	10	40	EICB	
CCCCOC(=O)c1cccc(/N=N/c2ccc(O)c(C(=O)O)c2)c1	70462694	KOWZWRDEFUTPHN-FMQUCBEESA-N	342.351	4.463	10	40	EICB	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H]2CCCC[C@H]2C)c1	1628329449	KQVCBVRTZNQKBF-JLTOFOAXSA-N	338.451	4.215	10	40	EICB	
CC[C@H](C)N1C(=O)S/C(=C/c2ccc(N3CCCC3)c(F)c2)C1=O	409070029	MQYCFPPSVUIASE-JASJWYONSA-N	348.443	4.261	10	40	EICB	
COc1ccccc1-n1c(CCC(=O)O)ccc1-c1cccs1	205058	GBSMPTZOOLOXPY-UHFFFAOYSA-N	327.405	4.232	10	40	EICB	
COc1ccc([C@@H]2CC(c3c(O)ccc4ccccc34)=NN2)cc1OC	6484687	QYRRINJOHZQPOP-INIZCTEOSA-N	348.402	4.001	10	40	EICB	
Cc1ccc(/N=N/[C@H](C2=NC(=O)CS2)c2nc3ccccc3[nH]2)cc1	18156651	MOOTYKWSLGHWLW-LSJZCYCUSA-N	349.419	4.368	10	40	EICB	
Cc1cc(/C=C2\NC(=O)N=C2O)c(C)n1-c1ccc2ccccc2c1	33248615	FZEDPVSGOPKZDD-WQRHYEAKSA-N	331.375	4.268	10	40	EICB	
CC(=O)Nc1cccc2c1CCN(Cc1c(O)ccc3ccccc13)C2	54571716	LLPIBFANVRFTBR-UHFFFAOYSA-N	346.430	4.062	10	40	EICB	
Cc1cccc2nc(-c3ccco3)c(Nc3ccc4c(c3)OCO4)n12	3909777	VHYZVYWNMRZJFN-UHFFFAOYSA-N	333.347	4.375	10	40	EICB	
O=[N+]([O-])c1ccc([C@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1	4697089	ZJRRXSHPDQPRCB-HDMKZQKVSA-N	337.335	4.330	10	40	EICB	
CN(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1	5797933	DTMYRAOASHMAAV-FQEVSTJZSA-N	347.418	4.112	10	40	EICB	
O=[N+]([O-])c1ccccc1[C@@H]1Nc2c(cccc2[N+](=O)[O-])[C@@H]2C=CC[C@@H]21	58929360	CLXVLQZKEKFOOF-BWACUDIHSA-N	337.335	4.330	10	40	EICB	
COC(=O)c1cccc(NC(=O)c2cccc(-n3c(C)ccc3C)c2)c1	7468506	UTJCSCVCYLHQPL-UHFFFAOYSA-N	348.402	4.133	10	40	EICB	
Cc1cc(C(=O)NC(C2CC2)C2CC2)c(C)n1-c1ccccc1F	89580037	GWMCJUMOYBVDQO-UHFFFAOYSA-N	326.415	4.152	10	40	EICB	
Cc1nn(C(N)=S)c(C)c1/N=N\c1ccc(Cl)cc1Cl	104225910	MDETXPTZPAJAIV-MSUUIHNZSA-N	328.228	4.314	10	40	EICB	
CN1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S	5123875	CEYJLJDJBSSALE-LFIBNONCSA-N	341.457	4.097	10	40	EICB	
CCOc1ccc(NC2=NC(=O)/C(=C/c3ccc(C)o3)S2)cc1	6870423	XPDPUMUKGNHBPA-GDNBJRDFSA-N	328.393	4.069	10	40	EICB	
COc1ccc(/C=C2/SC(c3ccc(C)cc3)=NC2=O)cc1OC	13476679	OEZWNIKWUNZGGV-GZTJUZNOSA-N	339.416	4.073	10	40	EICB	
O=C1c2ccccc2C(=O)c2c(Nc3ccc([N+](=O)[O-])cc3)cccc21	4797978	PFWAEKNNUBGMOX-UHFFFAOYSA-N	344.326	4.114	10	40	EICB	
COc1ccc(N2CCC(NCc3csc(C(C)C)n3)CC2)cc1	71924583	UZRMYXGSYFQJFH-UHFFFAOYSA-N	345.512	4.034	10	40	EICB	
Cc1ccc(/N=N\[C@H](C2=NC(=O)CS2)c2nc3ccccc3[nH]2)cc1	104298958	MOOTYKWSLGHWLW-GBWQBGJGSA-N	349.419	4.368	10	40	EICB	
CC[C@H](NC1CCN([C@@H](C)c2ccncc2)CC1)c1ccccc1O	156846495	NYWVMZISQIREEO-JXFKEZNVSA-N	339.483	4.054	10	40	EICB	
Cc1cccc([C@H]2N=C(O)c3c(sc4c3CC[C@@H](C)C4)N2)c1O	6451195	FHTYCCIKEYRYBE-ABKXIKBNSA-N	328.437	4.316	10	40	EICB	
O=C(/C=C/c1ccsc1)NCc1ccc(N2CCCCC2)cc1	62225132	DIOGGNDMXPAXAS-RMKNXTFCSA-N	326.465	4.068	10	40	EICB	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc[nH]c1=S	10309260	QRPPDURTJVRWJN-UHFFFAOYSA-N	341.480	4.007	10	40	EICB	
CC[C@H]1c2ccsc2CCN1C(=O)/C=C/c1ccc(N(C)C)cc1	24761912	DZTIQLJXMSJFME-HKMNZKMDSA-N	340.492	4.363	10	40	EICB	
CCc1ccccc1NC1=NC(=O)/C(=C\c2cccc(F)c2)S1	35647293	KXLRACZHZJXOQM-LFIBNONCSA-N	326.396	4.471	10	40	EICB	
COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccncc1)N2	409150937	FFWSBZAYRWJHGG-IIYDPXPESA-N	340.810	4.348	10	40	EICB	
O=C1/C(=C/c2ccccn2)SC(=S)N1c1ccccc1Cl	2356527	LCGMNAPTXNITJO-LCYFTJDESA-N	332.837	4.141	10	40	EICB	
CC(C)N1C(=O)/C(=C/C2=Cc3ccccc3O[C@H]2C)SC1=S	5881324	QNRDWJKEQQIQND-GPILYODUSA-N	331.462	4.004	10	40	EICB	
CC[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccccc2O)N3)C1	6603964	IJAPEORMUPRGSM-QFYYESIMSA-N	328.437	4.398	10	40	EICB	
O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccncc1)N2	409153057	CLKRLRUVGZLXQF-XHBSWPGZSA-N	327.771	4.470	10	40	EICB	
Cc1ccc(/C=C2/C(=O)N(c3ccccc3C)C(=S)N=C2O)s1	1246725	MXCWEISVULJATE-UKTHLTGXSA-N	342.445	4.037	10	40	EICB	
CN1CCN(C2=Cc3ccccc3Sc3cc(F)c(F)cc32)CC1	19802384	CBOFLGIANBSBCN-UHFFFAOYSA-N	344.430	4.175	10	40	EICB	
CCOc1cc2c(cc1OCC)[C@H](c1cc(Cl)ccc1O)NCC2	19847944	BCFBJGOOAHACFI-LJQANCHMSA-N	347.842	4.078	10	40	EICB	
COc1ccccc1N/C=C1\C(=O)N(c2ccc(C)c(C)c2)N=C1C	95471510	DHXQLDQWUVNQRK-ATVHPVEESA-N	335.407	4.031	10	40	EICB	
CC(C)(C)C1=NN(c2ccccc2)C(=O)/C1=C/c1ccc2c(c1)OCO2	95929204	HDVGRUHAGPIRQW-LFIBNONCSA-N	348.402	4.248	10	40	EICB	
COc1ccccc1C1=N/C(=C/c2ccco2)C(=O)N1c1ccccc1	408845341	WBGJQLQNVPDPAH-NBVRZTHBSA-N	344.370	4.123	10	40	EICB	
CCc1cccc(C)c1-n1c(C)cc(/C=C2/SC(=O)NC2=O)c1C	408960042	IKJHEIUBJRQYRA-MHWRWJLKSA-N	340.448	4.289	10	40	EICB	
Cc1ccc(N2C(=O)/C(=C\c3ccccn3)SC2=S)c(C)c1	5899155	IHAZAXNPFDPNDA-XNTDXEJSSA-N	326.446	4.104	10	40	EICB	
O=C1OC(c2cccs2)=C/C1=C\c1ccc(Br)cc1	33326632	YPLXUTJIHAAQAI-DHZHZOJOSA-N	333.206	4.492	10	40	EICB	
CCc1ccc(C2(Cc3ccccc3)C(=O)c3ccccc3C2=O)nc1	408733922	RUOJJWNQSVVYJB-UHFFFAOYSA-N	341.410	4.204	10	40	EICB	
C[C@@H]1CCC[C@@]1(O)CNCc1ccc(N(C)Cc2cccs2)cc1	1651134291	VFUZLWMLOUXJTG-OXQOHEQNSA-N	344.524	4.025	10	40	EICB	
O=C(/C=C/c1ccccc1Cl)NCc1ccc(N2CCCC2)cc1	10113480	UHQSTRFICNIVBR-FMIVXFBMSA-N	340.854	4.270	10	40	EICB	
COc1cccc(CNc2ccc3c(c2)ncn3C(C)(C)C)c1OC	423356	OEKUITYKRIDGLX-UHFFFAOYSA-N	339.439	4.421	10	40	EICB	
COc1ccc(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1	1512909	ZNQRZCLIRHKLHH-UHFFFAOYSA-N	343.382	4.082	10	40	EICB	
COc1ccc(N/C=C2\C(=O)N(c3ccc(C)c(C)c3)N=C2C)cc1	5334175	JBSGMBNEWWAYLI-UNOMPAQXSA-N	335.407	4.031	10	40	EICB	
Cc1c(C(=O)N(C)Cc2ccc(N(C)C)cc2)oc2ccc(F)cc12	18150552	YUTUNGLADJGSIC-UHFFFAOYSA-N	340.398	4.219	10	40	EICB	
CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1c(C)[nH]c2ccccc12	40070082	KMWLEWPIEOMGQG-UHFFFAOYSA-N	349.478	4.134	10	40	EICB	
O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(Cl)cc1F	96125656	JRMOXRUGYYWVCL-UHFFFAOYSA-N	332.806	4.009	10	40	EICB	
COc1ccc(N2C(=O)/C(=C\c3ccc(C)cc3)SC2=S)cc1	1086523	QSAZCUBNGCJWPS-LFIBNONCSA-N	341.457	4.409	10	40	EICB	
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3)c2C)SC1=S	1203792	KDONNLHNUFGUFL-WJDWOHSUSA-N	342.489	4.315	10	40	EICB	
CCN1c2ccc(/C=C3/SC(=S)NC3=O)cc2C(C)=CC1(C)C	1228858	KFXFWGZNCSXIIP-OQLLNIDSSA-N	344.505	4.197	10	40	EICB	
Cc1cc(/C=C2\SC(=S)NC2=O)c(C)n1-c1ccccc1Cl	408991743	PDPGLKBOIARINE-ZSOIEALJSA-N	348.880	4.236	10	40	EICB	
C[C@@H](NCc1ccccc1O)c1cccc(NC(=O)c2ccccc2)c1	71792524	XIJYLZFYLUVLCE-MRXNPFEDSA-N	346.430	4.495	10	40	EICB	
COc1ccc(O)c([C@H]2Nc3ccccc3-c3nc4ccccc4n32)c1	4864149	BCUPNFOKCHETJI-NRFANRHFSA-N	343.386	4.390	10	40	EICB	
COc1ccc(OC)c(/N=N\c2c(O)nc3ccccc3c2O)c1	102816858	QALMVSCMQMHCML-VXPUYCOJSA-N	325.324	4.079	10	40	EICB	
COC(=O)c1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@@H](c1cccnc1)N2	4623403	QOJLCDHPSFFGKY-GDZNZVCISA-N	340.810	4.348	10	40	EICB	
Cc1cc(C2=NN=C(NC(C)(C)C)SC2)c(C)n1-c1ccccc1	6822622	ZIWAXULWAHOYRX-UHFFFAOYSA-N	340.496	4.289	10	40	EICB	
O=C(CCSc1ccccc1)NCc1ccc(N2CCCC2)cc1	10113494	GGPGOWJXMBRCLX-UHFFFAOYSA-N	340.492	4.085	10	40	EICB	
C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccncc2)SC1=S	13123095	XLFXQHPJWVECAI-CMHHUMAZSA-N	326.446	4.044	10	40	EICB	
CC(C)N1C(=O)S/C(=C\c2ccc(N3CCCCC3)cc2)C1=O	408961097	RAEHVUOLEZIXBM-VBKFSLOCSA-N	330.453	4.122	10	40	EICB	
CC(C)[C@@]1(CCNCc2ccc(N(C)C)cc2)CCOC(C)(C)C1	2098043	QTWJSEWNLHECAS-NRFANRHFSA-N	332.532	4.464	10	40	EICB	biogenic
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H]2CCCC[C@@H]2C)c1	1628329450	KQVCBVRTZNQKBF-VBKZILBWSA-N	338.451	4.215	10	40	EICB	
Nc1nn2cc3c(nc2c1/N=N/c1ccccc1)-c1ccccc1CC3	16958964	NGGWIUVLFSRWNG-WCWDXBQESA-N	340.390	4.493	10	40	EICB	
CCOc1ccc(C2=C/C(=C/c3ccc(C)c(OC)c3)C(=O)O2)cc1	199949	BDQPDJFNGZSUQT-BOPFTXTBSA-N	336.387	4.384	10	40	EICB	
Cc1cccc(N/C=C2\SC(=S)N(C3CCCCC3)C2=O)c1	100146581	UHXKPOSVETXSEG-PTNGSMBKSA-N	332.494	4.441	10	40	EICB	
O=C(NCc1ccc(N2CCCC2)cc1)C1(c2ccccc2)CCCC1	28334099	YRLWGRRNDUKUFG-UHFFFAOYSA-N	348.490	4.415	10	40	EICB	
C[C@H]1CCCN(C2=NC(=O)/C(=C\c3ccc(Cl)s3)S2)C1	96346679	KZGRKOGLIREOHW-FKVCUQLRSA-N	326.874	4.104	10	40	EICB	
Oc1cccc([C@@H](Nc2nccs2)c2ccc3cccnc3c2O)c1	1094855	UUVFMWBOSPFVIZ-MRXNPFEDSA-N	349.415	4.304	10	40	EICB	
Cc1ccc(N/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1	4109371	JAKHSPJUFIXUKP-PTNGSMBKSA-N	326.446	4.313	10	40	EICB	
Cc1ccc(C)n1-c1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1	9858376	CBYPANFKXDBFHQ-UHFFFAOYSA-N	330.391	4.223	10	40	EICB	
CCN(CCNC(=S)Nc1ccccc1Cl)c1ccc(C)cc1	225792495	FMLTZJVTJWNTHF-UHFFFAOYSA-N	347.915	4.461	10	40	EICB	
Cc1cc(CN2CCN(c3ccccc3)CC2)c(O)c(C(C)(C)C)c1	333394	BZOKZQBGDCAPLL-UHFFFAOYSA-N	338.495	4.320	10	40	EICB	
Oc1cc2nc3ccccc3nc2c2ccc(Br)cc12	5698994	LVEOEMKQNYDAAJ-UHFFFAOYSA-N	325.165	4.404	10	40	EICB	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/Nc1ccc(F)cc1	101125459	JQMZZFFTJMEUBE-MHWRWJLKSA-N	329.762	4.198	10	40	EICB	
Cc1conc1N[C@@H](c1cccs1)c1ccc2cccnc2c1O	38289	LEOQDIYGKYAGMA-MRXNPFEDSA-N	337.404	4.500	10	40	EICB	aggregator
CCN1C(=O)/C(=C/c2ccc(-c3cccc(F)c3)o2)SC1=S	6274672	PEURXUXRSLWAJP-ZROIWOOFSA-N	333.409	4.307	10	40	EICB	
Cc1ccc(C2=N/C(=C/c3ccco3)C(=O)N2c2ccccc2)cc1	59232643	RIWMNJBQXXKQMV-XMHGGMMESA-N	328.371	4.423	10	40	EICB	
CCOC(=O)c1sc2nc(C(C)(C)C)cc(C(F)(F)F)c2c1N	4620358	HXEAYLCDLCLXFQ-UHFFFAOYSA-N	346.374	4.372	10	40	EICB	
O=C1N=C(O)/C(=C/C=C/c2ccco2)C(=O)N1CCC1=CCCCC1	8738903	CIFCHVMLEBKERO-MMPACVFLSA-N	340.379	4.028	10	40	EICB	
CC(C)c1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1	16790835	AENIMYBLSXSYQQ-HEUOVEHFSA-N	347.505	4.190	10	40	EICB	
CC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(C)o3)SC2=S)cc1	35040120	BPWKTSGXYRKULX-DHDCSXOGSA-N	343.429	4.196	10	40	EICB	
CCN(CC)c1ccc(/N=N\c2ccc(S(=O)(=O)O)cc2)cc1	100028709	OORQUAGUOJMPCS-ZCXUNETKSA-N	333.413	4.195	10	40	EICB	
CC[C@@H](NCc1cncc(C)c1)c1cc(Br)ccc1O	186303692	YNBKLHHOTPNSLP-OAHLLOKOSA-N	335.245	4.099	10	40	EICB	
COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)c1	408901414	FBGMUKQQXCUTCN-LFIBNONCSA-N	341.457	4.409	10	40	EICB	
O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1C1CCCC1	4745821	GSJYZKWRZDNLAW-DHDCSXOGSA-N	328.462	4.312	10	40	EICB	
CN(C)C(=O)c1cccc(/N=N/c2ccc(N)c3ccc(O)cc23)c1	18099651	NNPFLTYTUCKUNQ-QURGRASLSA-N	334.379	4.245	10	40	EICB	
Cc1ccncc1C1=CCN(c2cc(Cl)nc(C3CC3)n2)CC1	95943722	JKRJVSNEDHWKEI-UHFFFAOYSA-N	326.831	4.005	10	40	EICB	
C[C@H](c1ccccc1)N1C(=O)/C(=C/c2cccc(O)c2)SC1=S	4680071	JBAJXIBYDIWZOC-COOUDCDJSA-N	341.457	4.355	10	40	EICB	
O=C(O)c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc1	4959407	HCIYEXVHIYQVBY-MPGHIAIKSA-N	336.347	4.120	10	40	EICB	
C[C@H](c1ccccc1)N1C(=O)/C(=C\c2cccnc2)SC1=S	9971595	GZRCPYBYMUWKRA-JXCQQFQQSA-N	326.446	4.044	10	40	EICB	
Cc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(C)C3=O)c2C)c(C)c1	408812437	NBJUNQFGLVHLGB-YVLHZVERSA-N	340.448	4.377	10	40	EICB	
COc1ccc(/N=N/c2c(C)nn(C(=O)c3ccncc3)c2C)cc1	18069291	KRIKOMWZCFNKCP-QZQOTICOSA-N	335.367	4.007	10	40	EICB	
CCCN(CC(=O)Nc1cccc2ccccc12)Cc1ccccc1O	58209002	ZKRYUXIHHMGWFA-UHFFFAOYSA-N	348.446	4.396	10	40	EICB	
COc1ccc(N2CCO[C@@H]2c2ccn(-c3cccc(F)c3)c2)cc1	216728241	LVABVUFFNPOBNM-HXUWFJFHSA-N	338.382	4.160	10	40	EICB	
Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(C)c1O	6825854	GQPACVUCEQDKNY-XNTDXEJSSA-N	341.457	4.415	10	40	EICB	
Cc1cccc(NC2=NC(=O)/C(=C/c3cc(C)c(O)c(C)c3)S2)c1	28911897	YKUJFCZLPZYIIP-YBEGLDIGSA-N	338.432	4.400	10	40	EICB	
CCN1C(=O)/C(=C/c2cccn2-c2ccc(C)cc2)SC1=S	409376087	UEJJZUVBOPDKJL-PTNGSMBKSA-N	328.462	4.007	10	40	EICB	
CN(C)c1ccc(/C(Br)=C2\OC(=O)c3ccccc32)cc1	16958486	VJOXYMUXYBFBOR-FOCLMDBBSA-N	344.208	4.144	10	40	EICB	
COC(=O)Nc1c(/N=N/c2ccccc2)nn(-c2ccccc2)c1N	26688417	IGYZDDXYHZKGRN-QZQOTICOSA-N	336.355	4.048	10	40	EICB	
Oc1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@@H]2c1ccco1	102907260	SFZXNFZLZIAUPV-OXJNMPFZSA-N	332.359	4.228	10	40	EICB	
CCCc1cc(=O)oc2c(CN3CCCC[C@H]3CC)c(O)ccc12	5046711	LCSSFBMCLVEOCG-OAHLLOKOSA-N	329.440	4.216	10	40	EICB	
O=C1/C(=C/c2ccc(O)cc2)SC(=S)N1c1ccc(Cl)cc1	16400268	JDDKAACSYQJFJN-ZROIWOOFSA-N	347.848	4.451	10	40	EICB	
COc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1Cl	33312319	LZASHNHZYWCKMU-XNTDXEJSSA-N	326.783	4.155	10	40	EICB	
CCCOc1ccc(C(=O)NCc2ccc(N(CC)CC)cc2)cc1	224957571	AXWPYSZNBHJISP-UHFFFAOYSA-N	340.467	4.252	10	40	EICB	
CCN(CC)c1ccc(CN(C(=O)c2ccco2)c2ccccn2)cc1	28291386	BJHZFIWGAPUABU-UHFFFAOYSA-N	349.434	4.368	10	40	EICB	
COc1ccc(N2N=C(C)/C(=C(\C)Nc3cc(C)cc(C)c3)C2=O)cc1	112114195	GVZPVCUTZXYLLR-HKWRFOASSA-N	349.434	4.421	10	40	EICB	
CN1CCN(Cc2c(O)ccc3ccccc23)[C@@H](c2ccccc2)C1	60842006	FXJFPYHJNQLXRH-OAQYLSRUSA-N	332.447	4.034	10	40	EICB	
O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccncc1)N2	409153573	MCKZPARZWHIPCC-WWGRRREGSA-N	327.771	4.470	10	40	EICB	
CCOc1cccc([C@H]2Nc3c(C)cccc3-c3cc(C)nn32)c1O	818131	XVWTYTKKFQIUTM-FQEVSTJZSA-N	335.407	4.244	10	40	EICB	
COCCNc1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1	3324469	AWJXDGBCUPJBMK-UHFFFAOYSA-N	345.443	4.415	10	40	EICB	
N=c1[nH]n2cc3c(nc2c1/N=N\c1ccc(Cl)cc1)CCCCC3	104226632	UJPMKHGEWJREJW-DQRAZIAOSA-N	340.818	4.480	10	40	EICB	
CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(C(=O)O)cc1)N2	4140547	NXZMPSFMEMOYEX-HLIPFELVSA-N	333.387	4.414	10	40	EICB	
Cc1c(-c2ccccc2)c(=O)oc2c(CN3CCCCC3)c(O)ccc12	4353837	FXCXFCAYQWOOEI-UHFFFAOYSA-N	349.430	4.460	10	40	EICB	biogenic
CN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=S	5201114	GZTCJTAAKXXHKC-MDWZMJQESA-N	335.837	4.431	10	40	EICB	
Cc1cc(C)cc(NC(=S)NCc2ccc(N3CCCC3)cc2)c1	225422726	VSKMCEQTWYOTEU-UHFFFAOYSA-N	339.508	4.390	10	40	EICB	
O=C(O)c1cccc(-n2c(-c3ccccc3)cc3c2CCCC3=O)c1	64873	XNRJFQODWGDAMT-UHFFFAOYSA-N	331.371	4.362	10	40	EICB	
CN1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=S	4478010	FLVYDMJWDZXDFE-MDWZMJQESA-N	335.837	4.431	10	40	EICB	
O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(Cl)c(Cl)c1	13751786	BTMPGQRWILPWFE-LCYFTJDESA-N	341.263	4.450	10	40	EICB	
COc1ccc2ccccc2c1[C@H]1NN=C(c2ccccc2O)S1	3132090	AFGSUGYUMCRAAS-IBGZPJMESA-N	336.416	4.251	10	40	EICB	
Cc1ccc(N2C(=O)/C(=C/c3ccccc3O)SC2=S)cc1C	9188579	ZIGHJDAZHWJFNX-YBEGLDIGSA-N	341.457	4.415	10	40	EICB	
CCOc1cccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1	60512508	SHXHRAJSUZBZKB-VBKFSLOCSA-N	341.457	4.491	10	40	EICB	
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)[C@H](N=[N+]=[N-])C[C@]34C)[C@@H]1CCC2=O	118935714	HVCPQJTYNXIKBN-WPJNRJAUSA-N	331.460	4.248	10	40	EICB	
Cn1cc(/C=C2\SC(=S)N(C3CCCC3)C2=O)c2ccccc21	4745822	VOLBKMKZMSBXMV-YBEGLDIGSA-N	342.489	4.322	10	40	EICB	
CCCN(Cc1ccccc1O)C(=O)c1ccc(-c2cnco2)cc1	66096246	ZVMVQWPIMNUNPQ-UHFFFAOYSA-N	336.391	4.100	10	40	EICB	
CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F	77258334	XLYXBMFXXPVPQM-HUUCEWRRSA-N	349.352	4.173	10	40	EICB	
Oc1ccccc1C1=NN2[C@H](c3ccncc3)Oc3ccccc3[C@H]2C1	6721620	PFAGYMBTGNNLCN-NQIIRXRSSA-N	343.386	4.030	10	40	EICB	
CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1cccc(Cl)c1C	44826973	GNSSVOWXFRLORV-PTNGSMBKSA-N	325.799	4.367	10	40	EICB	
Nc1ccc(CC(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)cc1	97229063	PIBHXZSUMWZPOZ-UHFFFAOYSA-N	348.368	4.021	10	40	EICB	
Cc1cc(C(=O)OCC(=O)c2ccccc2)c(C)n1-c1ccccc1	3460725	ZZRISNKKCLPQFQ-UHFFFAOYSA-N	333.387	4.134	10	40	EICB	
O=S(=O)(O)c1cc2ccccc2c(O)c1/N=N/c1ccccc1	4803983	SOFSEIQYPZMXEG-ISLYRVAYSA-N	328.349	4.208	10	40	EICB	
COc1ccc(N(Cc2ccco2)Cc2nnc(C(C)C)o2)cc1F	96417470	SYYITHNDJUDEDY-UHFFFAOYSA-N	345.374	4.141	10	40	EICB	
CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccc(F)cc1	112110467	VGDJIZYUICMNEM-BOPFTXTBSA-N	327.334	4.073	10	40	EICB	
CSc1ccccc1C(=O)NCc1ccc(N2CCCCC2)cc1	10113101	SANZWNCJDIMQCN-UHFFFAOYSA-N	340.492	4.329	10	40	EICB	
CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(Cl)cc1	97958247	SLVQHDVHKFFUCN-YBEGLDIGSA-N	347.842	4.059	10	40	EICB	
CC(C)=CCCc1ccc2c(c1)C(=O)c1cc3c(cc1C2=O)OCO3	5601490	ZNZBHPKTTSYPSK-UHFFFAOYSA-N	334.371	4.090	10	40	EICB	
C[C@H](Sc1ccccc1)C(=O)NCc1ccc(N2CCCC2)cc1	13646003	WNNJSUMXVYSKMT-INIZCTEOSA-N	340.492	4.084	10	40	EICB	
CCN1c2cc(C)c(/C=C3/SC(=O)NC3=O)cc2[C@H](C)CC1(C)C	208318308	KXLBGVGUFVEZCK-GFQQVXNGSA-N	344.480	4.431	10	40	EICB	
COc1ccc(N2CCO[C@@H]2c2ccn(-c3ccccc3F)c2)cc1	216726640	WIUSJWTVJRWABD-HXUWFJFHSA-N	338.382	4.160	10	40	EICB	
O=C(O)c1ccc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@@H]3C=CC[C@H]32)cc1	409164869	OXUFAGYAPAHUMX-CPUCHLNUSA-N	336.347	4.120	10	40	EICB	
COc1cccc(N/C=C2\SC(=S)N(c3ccccc3)C2=O)c1	618255275	UWQHSJVCWVYYNJ-PTNGSMBKSA-N	342.445	4.013	10	40	EICB	
Cc1cc(CO)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1	34772771	OYJPEGGEYNUTRW-UHFFFAOYSA-N	325.383	4.305	10	40	EICB	
Cc1ccc(NC(=O)c2ccccc2)c2c1C(=O)c1ccccc1C2=O	5002814	ISUKCTCCMKZRGQ-UHFFFAOYSA-N	341.366	4.023	10	40	EICB	
CN(C)c1ccc(CNC(=O)c2cc(Cl)sc2Cl)cc1	15832918	CBJQTQFISMPMBU-UHFFFAOYSA-N	329.252	4.051	10	40	EICB	
CCN1C(=O)/C(=C/c2cccn2-c2ccc(C)c(C)c2)SC1=S	33722899	FALBGMSEGJOJSV-WJDWOHSUSA-N	342.489	4.315	10	40	EICB	
CC(=O)c1cccc(N2C(=O)/C(=C/c3ccccc3)SC2=S)c1	5371102	NZSZZFKQIOKNJS-YBEGLDIGSA-N	339.441	4.295	10	40	EICB	
COCCCN1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)SC1=S	2682713	HPWOJYDXGCRBCZ-QINSGFPZSA-N	349.521	4.222	10	40	EICB	
COc1ccc2c(c1)C(C)(C)[C@]1(C=Cc3cccc(OC)c3O1)N2C	267127	QXIRZPKBUUZWQL-OAQYLSRUSA-N	337.419	4.233	10	40	EICB	biogenic
Nc1ccc(/N=N/c2ccccc2)c2cc(S(=O)(=O)O)ccc12	4523150	GYHKIXZQDCKUPI-VHEBQXMUSA-N	327.365	4.084	10	40	EICB	
CCc1ccc(NC(=S)NCCCN(C)c2ccccc2)cc1	16243530	SVRMZXNCZWTSNK-UHFFFAOYSA-N	327.497	4.062	10	40	EICB	
CCOc1ccc(NC2=NC(=O)/C(=C\c3cccc(F)c3)S2)cc1	35647303	GWXGSPXNUGCFPC-LFIBNONCSA-N	342.395	4.307	10	40	EICB	
CCOc1nc(N)nc(C)c1/N=N\c1ccc(Cl)cc1Cl	104237239	KZOVELHNZHDDJN-VXPUYCOJSA-N	326.187	4.488	10	40	EICB	
CCN(CCNC(=S)Nc1cc(C)ccc1C)c1ccc(C)cc1	225792356	LBWPOQNGIMEMGA-UHFFFAOYSA-N	341.524	4.425	10	40	EICB	
CCOC(=O)c1[nH]c2ccccc2c1/N=N/N1CCc2ccccc2C1	500250	PBRJESPLEPGNCN-GHVJWSGMSA-N	348.406	4.402	10	40	EICB	
CCN1C(=O)/C(=C/c2cccn2-c2cccc(C)c2C)SC1=S	33871002	SOHVDXGGYIDIMP-WJDWOHSUSA-N	342.489	4.315	10	40	EICB	
CCN1C(=O)/C(=C/C=C2\Sc3ccccc3N2CC)SC1=S	8467176	KJXKJGBRCAUHMN-FOIMCPNXSA-N	348.518	4.224	10	40	EICB	
CN(C)c1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1	16186349	JOYWVNFXPQUIAZ-VBKFSLOCSA-N	340.473	4.158	10	40	EICB	
Cc1oc2c(CN3CCCCC3)c(O)ccc2c(=O)c1-c1ccccc1	20412032	CNZJZAABODREQK-UHFFFAOYSA-N	349.430	4.460	10	40	EICB	biogenic
OC1=N[C@@H](c2ccc(O)cc2O)Nc2scc(-c3ccccc3)c21	8381702	ZFUWJGQGSBTGCM-MRXNPFEDSA-N	338.388	4.255	10	40	EICB	
Nc1c(/N=N\c2ccccc2)cc(S(=O)(=O)O)c2ccccc12	12403107	NVHYKPCSIVPAAM-HNENSFHCSA-N	327.365	4.084	10	40	EICB	
COc1ccc(N2CCO[C@H]2c2ccn(-c3ccc(C)cc3)c2)cc1	216726224	ZHCAPMAJFFDJQQ-NRFANRHFSA-N	334.419	4.330	10	40	EICB	
Cc1cc(=O)oc2c(CN(C)Cc3ccccc3)c(O)c(Cl)cc12	5697450	GIUNPICXIIGCAZ-UHFFFAOYSA-N	343.810	4.092	10	40	EICB	biogenic
CCCC1=NN2C(=N)/C(=C\c3ccc(C(C)C)cc3)C(=O)N=C2S1	32109393	QWZKBEYGUABOCU-HRTYCTNXSA-N	340.452	4.229	10	40	EICB	
CCc1ccccc1N1C(=O)/C(=C\c2ccccc2O)SC1=S	35038761	USDOZFQSUCBKOO-LFIBNONCSA-N	341.457	4.360	10	40	EICB	
COc1cccc(-n2c(CCC(=O)O)ccc2-c2ccc(C)cc2)c1	408951536	UQEYYLUJVDTZQM-UHFFFAOYSA-N	335.403	4.479	10	40	EICB	
CCn1c(C)cc(/C=C2\SC(Nc3ccccc3)=NC2=O)c1C	4030216	ZPQHJGQIEUHJLQ-WJDWOHSUSA-N	325.437	4.207	10	40	EICB	
CC[C@@H]1c2ccsc2CCN1C(=O)/C=C/c1ccc(N(C)C)cc1	24761919	DZTIQLJXMSJFME-RUJXFNLJSA-N	340.492	4.363	10	40	EICB	
COc1ccc(N2CCO[C@H]2c2ccn(-c3cccc(C)c3)c2)cc1	216726120	ANRUPWXBRFYBPR-NRFANRHFSA-N	334.419	4.330	10	40	EICB	
Cc1ccc(NCc2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1C	226241410	PCVBWRBRGNUGRV-UHFFFAOYSA-N	325.412	4.424	10	40	EICB	
COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1C	409339439	VTKAZBLZXOZRAP-LFIBNONCSA-N	341.457	4.409	10	40	EICB	
O=C1/C(=C/c2ccncc2)SC(=S)N1c1ccccc1Cl	5375852	UYSUJWWDKPANRE-LCYFTJDESA-N	332.837	4.141	10	40	EICB	
C[C@@H](Sc1ccccc1)C(=O)NCc1ccc(N2CCCC2)cc1	13646000	WNNJSUMXVYSKMT-MRXNPFEDSA-N	340.492	4.084	10	40	EICB	
CCOC(=O)CNc1c2ccc(Cl)cc2nc2ccc(OC)cc12	5374331	ZFNPLWAORZCZJG-UHFFFAOYSA-N	344.798	4.025	10	40	EICB	
C/C(NC(C)(C)C)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1	17068618	FAZDYQBECHBAAK-SDXDJHTJSA-N	333.435	4.100	10	40	EICB	
Cc1nc(NCc2ccc(N(C)C)cc2)c2c3c(sc2n1)CCC3	18061256	BXFSVENDUSQZNH-UHFFFAOYSA-N	338.480	4.167	10	40	EICB	
CN(C)c1ccc(/C=C/C(=O)N(C)C2C3CC4CC(C3)CC2C4)cc1	58391387	LTRYRCVZTGKPEP-RMKNXTFCSA-N	338.495	4.049	10	40	EICB	
O=C1/C(=C\Nc2ccccc2)SC(=S)N1c1ccc(F)cc1	100167635	OQHOZFFEVCMYPS-GXDHUFHOSA-N	330.409	4.144	10	40	EICB	
CCOc1ccc(NC2=NC(=O)/C(=C\C=C\c3ccco3)S2)cc1	27230169	MDRCSWKOPPMQIY-FWPHUCDGSA-N	340.404	4.317	10	40	EICB	
Cc1ccccc1NC1=NC(=O)/C(=C/c2ccc(F)cc2F)S1	96663436	PWBLPVHSTWCQDP-NVNXTCNLSA-N	330.359	4.356	10	40	EICB	
Cc1cc(C)n2[nH]c(=O)c(/N=N/c3cccc(C(F)(F)F)c3)c2n1	101926364	FQVAFGRKZUFQLS-QZQOTICOSA-N	335.289	4.074	10	40	EICB	
CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccccc3)c2C)C1=O	409095228	ADAFJSKYWBEDCX-WJDWOHSUSA-N	326.421	4.150	10	40	EICB	
S=C(c1ccc(-c2ccccc2)o1)N1CCN(c2ccccc2)CC1	52960	AYQTTWITOCYERA-UHFFFAOYSA-N	348.471	4.444	10	40	EICB	
Cc1ccc(O)c([C@@H]2N=C(O)c3c(sc4c3CC[C@H](C)C4)N2)c1	4571300	WNLFYHSLWBHJPD-MGPLVRAMSA-N	328.437	4.316	10	40	EICB	
CC(=O)n1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c2ccccc21	16161007	SJTUTCMFLIHBIO-UNOMPAQXSA-N	343.386	4.108	10	40	EICB	
CC(=C/c1ccccc1)/C=C1\SC(Nc2ccccc2O)=NC1=O	1452222	LHVCWIROHIILMV-RQGFIEOQSA-N	336.416	4.421	10	40	EICB	
CC(C)(C)c1cccc2c1C(=O)c1c(c(O)c3ccccc3c1O)C2=O	5002851	WEFKYJYVXZKGMN-UHFFFAOYSA-N	346.382	4.324	10	40	EICB	
COc1ccccc1/C=C1/SC(=S)N(c2ccccc2)C1=O	971136	VBTFTHFZVRDFEN-RVDMUPIBSA-N	327.430	4.101	10	40	EICB	
Cc1cccc(N/C=C2/SC(=S)N(c3ccc(F)cc3)C2=O)c1	4109033	YVAXZVWNQJBGEK-XNTDXEJSSA-N	344.436	4.452	10	40	EICB	
COc1ccc(/N=N\c2c(C)nn(C(=O)c3ccncc3)c2C)cc1	104201106	KRIKOMWZCFNKCP-MRCUWXFGSA-N	335.367	4.007	10	40	EICB	
Cc1cccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)n1	113834902	MBTACUVZJYOFEV-NTEUORMPSA-N	346.864	4.449	10	40	EICB	
Cc1ccnc(N(Cc2ccc(N(C)C)cc2)C(=O)OC(C)(C)C)c1	199716257	ZECQEEWEOCCFNR-UHFFFAOYSA-N	341.455	4.398	10	40	EICB	
CC[C@H](Oc1ccccc1)C(=O)NCc1ccc(N(CC)CC)cc1	225312307	PPBGIFJCNSURPN-FQEVSTJZSA-N	340.467	4.007	10	40	EICB	
COc1ccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1	226241482	BZZPGWQQYFQMKF-UHFFFAOYSA-N	341.411	4.206	10	40	EICB	
Cc1cccc(-n2c(C)cc(/C=C3/SC(=O)N(C)C3=O)c2C)c1	408756734	UFUFXHGQVBXHIL-MHWRWJLKSA-N	326.421	4.069	10	40	EICB	
O=C1/C(=C/c2ccccc2)SC(=S)N1CNc1cccc(F)c1	5772469	UCEKNKPXASNNLB-DHDCSXOGSA-N	344.436	4.097	10	40	EICB	
CN(Cc1nc2ccccc2s1)Cc1c(O)ccc2ccncc12	12972940	QGHYFTIPCZPOHH-UHFFFAOYSA-N	335.432	4.182	10	40	EICB	
O=C(/C=C/c1ccc(F)cc1)NCc1ccc(N2CCCCC2)cc1	13668378	DTXVNWWYAULNGL-MDWZMJQESA-N	338.426	4.146	10	40	EICB	
CCOc1ccccc1NC1=NC(=O)/C(=C\c2cccc(F)c2)S1	35647301	VOVZICJLECOCDJ-LFIBNONCSA-N	342.395	4.307	10	40	EICB	
O=C(O)c1cc(-c2ccc(O)c(O)c2)nc2cc3ccccc3cc12	1766681	HZMMDFCRPGBXLR-UHFFFAOYSA-N	331.327	4.164	10	40	EICB	
O=C1Nc2ccccc2/C1=C\c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	5692939	KFJZLEJSSABEHG-FOWTUZBSSA-N	349.390	4.078	10	40	EICB	
Cc1ccc(-c2cnc(SCC(=O)NC(C)C)n2CC(C)C)cc1	44085819	RGNVVAWTSFYJFZ-UHFFFAOYSA-N	345.512	4.131	10	40	EICB	
CCc1cc(=O)oc2c(C)c(O)c(CN3CCCC[C@H]3CC)cc12	2338101	GQKQPVJSXMKLEX-MRXNPFEDSA-N	329.440	4.134	10	40	EICB	
CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccccc1Cl	112110162	XIXGUZHBBJEXCD-ATVHPVEESA-N	325.799	4.449	10	40	EICB	
O=[N+]([O-])c1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@@H](c1ccccn1)N2	4454438	UWMDMCQMWLCEGN-MMPTUQATSA-N	327.771	4.470	10	40	EICB	
COc1ccc2c(/C=C3\C(=O)Nc4cc(Cl)ccc43)cn(C)c2c1	62001624	WARRZPNERXLDJY-APSNUPSMSA-N	338.794	4.333	10	40	EICB	biogenic
O=Cc1ccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc1	5375106	RJFASHQVIIGEJI-NVNXTCNLSA-N	343.404	4.044	10	40	EICB	
Cc1ccc(NC(=S)NCc2ccc(N3CCCC3)cc2)cc1C	225422786	IXMOBPRTWWWIQQ-UHFFFAOYSA-N	339.508	4.390	10	40	EICB	
O=C1c2ccccc2-c2nnc(-c3cccc(C(F)(F)F)c3)cc21	1383077	CNDITQVEPOHLRX-UHFFFAOYSA-N	326.277	4.374	10	40	EICB	
Cc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2c2ccccc2)cc1	59228951	RZWVDLMJUMGHPV-XMHGGMMESA-N	328.371	4.423	10	40	EICB	
CCc1ccc(NC(=S)NCCN(CC)c2ccc(C)cc2)cc1	225792937	PTRMQINEVYXLRK-UHFFFAOYSA-N	341.524	4.370	10	40	EICB	
Cc1ccc(C)c(-n2c(C)cc(/C=C3\SC(=S)NC3=O)c2C)c1	408996341	DDBHVHZALTXIAG-SXGWCWSVSA-N	342.489	4.200	10	40	EICB	
CC(C)(C)c1cnc(SCc2nc(O)cc(C(F)(F)F)n2)s1	95441043	ZBSUFBFQQBPOPT-UHFFFAOYSA-N	349.403	4.247	10	40	EICB	
O=C1/C(=C\c2ccco2)N=C(c2ccc(F)cc2)N1c1ccccc1	408753900	OPLJLKJEHOGLSX-QGOAFFKASA-N	332.334	4.253	10	40	EICB	
CC(C)c1cc2c(c(O)c1O)[C@]13CCCC(C)(C)[C@@H]1C[C@H]2OC3=O	2020185	XUSYGBPHQBWGAD-CKNLXJGOSA-N	330.424	4.287	10	40	EICB	
Cc1cccc(N2C(=O)c3ccc(Oc4ccc(N)cc4)cc3C2=O)c1	3091824	YRECIWXMJSBUPH-UHFFFAOYSA-N	344.370	4.170	10	40	EICB	
CN(Cc1ccco1)C(=O)/C=C/c1ccc(N2CCCCCC2)cc1	8707655	BYYCIRNEQZXROD-JLHYYAGUSA-N	338.451	4.332	10	40	EICB	
CCOc1ccc2ccccc2c1/C=C1\SC(=S)N(CC)C1=O	7717773	AEIWJVNAVVBGRK-WJDWOHSUSA-N	343.473	4.460	10	40	EICB	
Nc1ccc(/N=N\c2ccc(S(=O)(=O)O)cc2)c2ccccc12	16892244	OOXOSYJUYWJBFW-HNENSFHCSA-N	327.365	4.084	10	40	EICB	
Oc1ccccc1CN(Cc1nnc(C2CCC2)o1)C1CCCCC1	79099968	QWDPHHYQBKYASN-UHFFFAOYSA-N	341.455	4.378	10	40	EICB	
Cc1cc(C(=O)CSC2=NCCS2)c(C)n1-c1ccc(F)cc1	3257226	TVVLOQRJYFBXPA-UHFFFAOYSA-N	348.468	4.252	10	40	EICB	
O=C(O)[C@H]1[C@@H]2CC=C[C@@H]2c2c3c(cc4ccccc24)[C@H]2C=CC[C@@H]2CN31	4797530	MQUABYFVEIZLIJ-RSKBGCLJSA-N	343.426	4.446	10	40	EICB	
CCN(CC)c1ccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc1	7885996	FFTCYKNXVAVUAA-FQEVSTJZSA-N	335.451	4.262	10	40	EICB	
CC[C@H](C)N1C(=O)S/C(=C/C=C/c2ccc(N(C)C)cc2)C1=O	409012053	IPPCVNCYFKBVNX-GGIKNKHVSA-N	330.453	4.144	10	40	EICB	
Cc1cccc([C@@H]2N=C(O)c3c(sc4c3CC[C@@H](C)C4)N2)c1O	6451197	FHTYCCIKEYRYBE-JDNHERCYSA-N	328.437	4.316	10	40	EICB	
Cc1ccc(C)c(NC(=S)NCCCN(C)c2ccccc2)c1	7558658	WEGVPODCOQNWEQ-UHFFFAOYSA-N	327.497	4.116	10	40	EICB	
Cc1ccc(N(C)CCNC(=S)Nc2ccc(C)c(C)c2)cc1	225794939	JMERUIJDRKNXNL-UHFFFAOYSA-N	327.497	4.035	10	40	EICB	
CCn1c(/N=N/c2ccc(N3CCOCC3)cc2)nc2ccccc21	4855340	LLMNHFFVLQAIDY-QURGRASLSA-N	335.411	4.308	10	40	EICB	
CCN(CC)c1ccc(/C=C2\SC(=S)N(C(C)C)C2=O)cc1	15015226	XURJRYMLEFDDCJ-PTNGSMBKSA-N	334.510	4.142	10	40	EICB	
Cc1cc(C)cc(NC(=S)NCCCN2CCc3ccccc32)c1	225558584	DKLPTYRCOFADBK-UHFFFAOYSA-N	339.508	4.043	10	40	EICB	
Cc1cc(CN(C)C(=O)/C=C/c2cc(C)n(-c3ccccc3)c2C)no1	25137417	YELJYASHQTWACQ-ZHACJKMWSA-N	349.434	4.062	10	40	EICB	
CCC(=O)N[C@@H](c1ccccc1)c1cc(Cl)c2cccnc2c1O	319154	ZQESALYHJCPXDX-KRWDZBQOSA-N	340.810	4.209	10	40	EICB	
O=C1c2ccccc2C(=O)c2sc(Nc3cccc(Cl)c3)nc21	408321	TWIYDOGQCIIPPR-UHFFFAOYSA-N	340.791	4.316	10	40	EICB	
Cc1cc(=O)oc2c(CN3C[C@]4(C)C[C@@H]3CC(C)(C)C4)c(O)ccc12	100797020	FBWAJDPTFBTVBL-LHSJRXKWSA-N	341.451	4.208	10	40	EICB	
COc1ccc(C2=C/C(=C\c3ccc(Br)o3)C(=O)O2)cc1	83260587	VFUCFGAIPPSNDF-DHZHZOJOSA-N	347.164	4.032	10	40	EICB	
Cc1cc(C(=O)NCCc2cccs2)c(C)n1-c1ccccc1F	32906355	OZOLMAACBJGZSF-UHFFFAOYSA-N	342.439	4.267	10	40	EICB	
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)[C@@H](N=[N+]=[N-])C[C@@]43C)[C@@H]1CCC2=O	118935711	HVCPQJTYNXIKBN-GPFHPJNKSA-N	331.460	4.248	10	40	EICB	
O=C(O)c1cc(-c2ccc(C(=S)N3CCCCC3)o2)ccc1Cl	409204147	CGHPTWUCGNNAMS-UHFFFAOYSA-N	349.839	4.460	10	40	EICB	
O=S(=O)(O)c1ccc(N=Nc2ccccc2)c2c(O)cccc12	3845154	BDGXTLNETVWTNN-UHFFFAOYSA-N	328.349	4.208	10	40	EICB	biogenic
Cc1cc2n(n1)[C@@H](c1ccc(N3CCCC3)cc1)Nc1ccccc1-2	817704	QMHCRZDRXJSFIR-NRFANRHFSA-N	330.435	4.431	10	40	EICB	
CCn1c(NC(=O)Nc2ccc(F)c(Cl)c2)nc2ccccc21	27923371	MJMJNRZJSNOHNL-UHFFFAOYSA-N	332.766	4.493	10	40	EICB	
Cc1cnn(CC2CC2)c1NC(=O)c1ccc(-n2c(C)ccc2C)cc1	63848414	PCANTDLLOYFHCJ-UHFFFAOYSA-N	348.450	4.261	10	40	EICB	
COc1cccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1	3152704	QRSRUSOZEQJGBW-RVDMUPIBSA-N	327.430	4.101	10	40	EICB	
COC(=O)c1ccc(N/N=N/c2ccc(Br)cc2)cc1	5002685	KVSCBVWVFKNYTA-UHFFFAOYSA-N	334.173	4.347	10	40	EICB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCCCCC2)o1	408905177	URMHXZKQOZVIJN-XDJHFCHBSA-N	349.434	4.466	10	40	EICB	
C[C@@H]1CCC[C@]1(O)CNCc1ccc(N(C)Cc2cccs2)cc1	1651134292	VFUZLWMLOUXJTG-UZLBHIALSA-N	344.524	4.025	10	40	EICB	
CCCN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2C)C1=O	408960075	JALUFIDIZMHITM-VBKFSLOCSA-N	330.453	4.042	10	40	EICB	
Cc1ccc(-c2ccc(/C=C3\SC(N4CCCC4)=NC3=O)o2)cc1	13776619	UGOGEROTZKZLSI-ATVHPVEESA-N	338.432	4.321	10	40	EICB	
COc1ccc(OCCN(C)Cc2cc(C(C)C)c(C)cc2O)cc1	14077902	WKNBPSZQBNGCNY-UHFFFAOYSA-N	343.467	4.343	10	40	EICB	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(-c2cnco2)cc1	58016428	YMYMLZGNXRDVEX-UHFFFAOYSA-N	349.434	4.070	10	40	EICB	
COc1ccc(/C=C2\SC(Nc3ccccc3)=NC2=O)cc1Cl	5529795	UVVJRRHISKYNPQ-GDNBJRDFSA-N	344.823	4.431	10	40	EICB	
CCOc1ccc(/C=C2/SC(Nc3ccccc3C)=NC2=O)cc1	35647948	OFELBVYTKANBER-SFQUDFHCSA-N	338.432	4.476	10	40	EICB	
CCOC(=O)c1[nH]c2ccc(F)cc2c1/N=N/N1CCCC[C@@H]1C	524270	SHIYFCPHHSSVMK-BMQZVHBQSA-N	332.379	4.357	10	40	EICB	
OC[C@H](Cc1ccccc1)Nc1c2ccccc2nc2ccccc12	18284916	YQERUHCZCMOPQN-KRWDZBQOSA-N	328.415	4.404	10	40	EICB	
CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/Nc1cc(Cl)ccc1O	95481261	VYYAVKNXPMIXIP-XNTDXEJSSA-N	341.798	4.073	10	40	EICB	
COc1ccc(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1	6249477	OFYKCNOAQDZOCF-UHFFFAOYSA-N	334.419	4.033	10	40	EICB	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccc(OC(F)F)c1	15906726	BXIQHBDGHWGOEC-WJDWOHSUSA-N	328.318	4.094	10	40	EICB	
COc1cccc(N/C=C2\SC(=S)N(C3CCCCC3)C2=O)c1	102581274	AIFZJTOUHMBSLC-PTNGSMBKSA-N	348.493	4.142	10	40	EICB	
Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(O)cc3)SC2=S)c1	5371229	FBXVOKORLFBOMY-YBEGLDIGSA-N	341.457	4.415	10	40	EICB	
CC(C)(C)N1C(=O)/C(=C\c2ccc(Br)o2)SC1=S	5371584	CZUOFLPTMXYWBA-SOFGYWHQSA-N	346.271	4.042	10	40	EICB	
Cc1c(-c2ccc(Cl)cc2)c(=O)oc2cc(CN(C)C)c(O)cc12	94993472	XARPNASHRIBIOC-UHFFFAOYSA-N	343.810	4.189	10	40	EICB	
Cc1ccc2nc(-c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)cn2c1	14066589	GZAPVJOCROKEOU-UHFFFAOYSA-N	345.402	4.415	10	40	EICB	
Cc1cccc(N/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c1	101937158	YVAXZVWNQJBGEK-GDNBJRDFSA-N	344.436	4.452	10	40	EICB	
Cc1ccc(Cl)cc1-c1ccc(/C=C2/SC(=S)NC2=O)o1	974526	QGOXWWBKRXUNRL-NTUHNPAUSA-N	335.837	4.397	10	40	EICB	
O=C1/C(=C/c2ccccn2)SC(=S)N1c1cccc(Cl)c1	8642631	WMKXWYSTGKYXQZ-LCYFTJDESA-N	332.837	4.141	10	40	EICB	
CCCCc1cc(=O)oc2c(CN3CCCCC3)c(O)c(Cl)cc12	20325800	MBHCOFCTLPLCLB-UHFFFAOYSA-N	349.858	4.481	10	40	EICB	
Fc1ccc(NC(=S)NCc2ccc(N3CCCC3)cc2)cc1F	225424463	QLQWXOKRNXZKQU-UHFFFAOYSA-N	347.434	4.052	10	40	EICB	
CC(=O)N1N=C(c2ccc3ccccc3c2O)C[C@H]1c1cccs1	5838585	QVGCZUSFVHLBCB-KRWDZBQOSA-N	336.416	4.305	10	40	EICB	
C[C@@H]1C[C@@H]1C(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12	104005636	XRESISWWGXCJAW-YMTYPPQLSA-N	331.415	4.407	10	40	EICB	
Cc1ccc(N(C)CCNC(=S)Nc2ccc(C)c(Cl)c2)cc1	225795516	MHJSIHLWFZAZPF-UHFFFAOYSA-N	347.915	4.380	10	40	EICB	
CCN(CC)C(=O)c1ccc2nc3ccc4ccccc4c3nc2c1	408721004	CJNAPSCEBLWYCE-UHFFFAOYSA-N	329.403	4.418	10	40	EICB	
CCCC[C@@H](CC)CN1C(=O)/C(=C\c2cccnc2)SC1=S	5694875	POKVGKJDASKTQX-QQFZQELXSA-N	334.510	4.499	10	40	EICB	
Cc1ccc(NC2=NC(=O)/C(=C\c3cc(Cl)ccc3O)S2)cc1	24830035	ZCZCKDJRPANEPE-OQLLNIDSSA-N	344.823	4.436	10	40	EICB	
Cc1ccc(N2C(=O)/C(=C/c3cccn3C)SC2=S)c(C)c1	57429488	QFTLCQAWGCEBDF-GDNBJRDFSA-N	328.462	4.048	10	40	EICB	
Cc1ccc(C(=O)C(=O)c2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1	409196896	ZWWAHDZJJSQAPT-UHFFFAOYSA-N	338.146	4.276	10	40	EICB	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H]2CCCC[C@@H]2C)c1	1628329452	KQVCBVRTZNQKBF-XOBRGWDASA-N	338.451	4.215	10	40	EICB	
O=C1N=C(Nc2cc(Cl)ccc2O)S/C1=C\C=C\c1ccco1	5374535	BPNVIDUIVCQAGU-NQDFZQDQSA-N	346.795	4.277	10	40	EICB	
Oc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1	14982871	HAALJZREONHION-UHFFFAOYSA-N	326.399	4.429	10	40	EICB	
Cc1c(C)c2cc(Cl)c(O)c(CN3CCC[C@@H](C)C3)c2oc1=O	20292563	CSECEVUEOJVQDB-SNVBAGLBSA-N	335.831	4.001	10	40	EICB	
Cc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1O	33316806	KIDXHVOOTZTVAF-GDNBJRDFSA-N	341.457	4.102	10	40	EICB	
CN1CCCc2cc(CNC(=O)Cc3ccc4ccccc4c3)ccc21	58768987	NLOMZXRHLULQSC-UHFFFAOYSA-N	344.458	4.081	10	40	EICB	
COc1ccccc1N/C=C1\C(=O)N(c2ccc(Cl)cc2)N=C1C	95471504	PUNJJLGACKUBSR-PTNGSMBKSA-N	341.798	4.067	10	40	EICB	
O=C(O)[C@H](Cc1ccccc1)Nc1c2ccccc2nc2ccccc12	5531390	LZDIPJARGCCMBS-FQEVSTJZSA-N	342.398	4.496	10	40	EICB	
CCN(CC)c1ccc(CNC(=O)CCCOc2ccccc2)cc1	225555995	KRLKQSTUESCTQF-UHFFFAOYSA-N	340.467	4.008	10	40	EICB	
O=C1/C(=C\c2cccs2)N=C(c2ccccc2)N1c1ccc(O)cc1	408755146	PVNSMMYYCCQXNZ-QGOAFFKASA-N	346.411	4.288	10	40	EICB	
CCOc1ccc(/C=C2\SC(=S)N(CC)C2=O)c2ccccc12	409382550	ORYZWTHHVJVYBB-WJDWOHSUSA-N	343.473	4.460	10	40	EICB	
CN(C)c1ccc(-c2nc(-c3ccc4c(c3)CC(=O)N4C)cs2)cc1	9322633	RPYJOKHMELDVQO-UHFFFAOYSA-N	349.459	4.062	10	40	EICB	
COc1ccc([C@@H]2CC(c3ccc4ccccc4c3O)=NN2)cc1OC	120749	VKFDUDUPVUIVOZ-KRWDZBQOSA-N	348.402	4.001	10	40	EICB	
O=C1S[C@@H](Nc2cccc3ccccc23)C(=O)N1c1ccccc1	1064855	NDETVYXIPSIMEI-QGZVFWFLSA-N	334.400	4.478	10	40	EICB	
Cc1ccc(CO)c2c1N[C@H](c1ccc(C(=O)O)cc1)[C@H]1CC=C[C@H]21	4623661	GMRQDMOWAMYVIM-ABSDTBQOSA-N	335.403	4.012	10	40	EICB	
COc1c(C)cnc(CSc2ncc(-c3ccccc3)n2C)c1C	78709100	MVFVSAZYKMAHNC-UHFFFAOYSA-N	339.464	4.400	10	40	EICB	
O=C1/C(=C\c2ccc(F)cc2)C(C(F)(F)F)=NN1c1ccccc1	408972687	UPTDBKPKEPAYQA-UVTDQMKNSA-N	334.272	4.174	10	40	EICB	
CCN(CC)c1ccc(/N=N/[C@@H]2C(=O)N(c3ccccc3)N=C2C)cc1	4347713	AMZJZKQWWQJODK-XJUMHSELSA-N	349.438	4.408	10	40	EICB	
Cc1ccc(C)c(NC(=O)CSc2nc3cc(F)c(F)cc3[nH]2)c1	12629927	ZDVFRIIVZKEMAD-UHFFFAOYSA-N	347.390	4.189	10	40	EICB	
O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1c1cccc(F)c1	1308170	ZKYAQBWUDAPYRX-ZSOIEALJSA-N	333.384	4.371	10	40	EICB	
CC(=O)N[C@@H](c1ccc(C(C)C)cc1)c1ccc2cccnc2c1O	2470665	MWQWZIWMSWUMLW-IBGZPJMESA-N	334.419	4.289	10	40	EICB	
Cc1ccc(SCC(=O)NCc2ccc(N3CCCC3)cc2)cc1	10113487	OBPWMBSIOIJOGY-UHFFFAOYSA-N	340.492	4.004	10	40	EICB	
Cc1nc(CN2CCCc3cc(OC(F)(F)F)ccc32)oc1C	40158351	UMCKRHQMEZRCQY-UHFFFAOYSA-N	326.318	4.143	10	40	EICB	
Cc1cc(O)c(CN(Cc2cccc(F)c2)C[C@@H]2CCCO2)cc1C	65188359	IBTMTAXWFKNHCE-FQEVSTJZSA-N	343.442	4.329	10	40	EICB	
Oc1ccccc1C1=NN2[C@H](C1)c1ccccc1O[C@@H]2c1cccnc1	102907246	DHHNXUPNZRIEQV-WIYYLYMNSA-N	343.386	4.030	10	40	EICB	
CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\Nc1ccc(O)cc1	408529758	JXQKWWUCMNYICE-YBEGLDIGSA-N	341.798	4.073	10	40	EICB	
CCCc1cc(=O)oc2c(CN3CCC[C@H](C)C3)c(O)c(Cl)cc12	20331329	KMDXXIVEURXOTI-LBPRGKRZSA-N	349.858	4.336	10	40	EICB	
CC(C)=CCc1c([C@@H]2CCc3ccc(O)cc3O2)ccc(O)c1O	49181795	MVHAAGZZSATGDD-SFHVURJKSA-N	326.392	4.378	10	40	EICB	biogenic
COc1cccc(/C=C2/SC(Nc3ccc(Cl)cc3)=NC2=O)c1	4426147	CHIGLDYXKWLMPQ-XNTDXEJSSA-N	344.823	4.431	10	40	EICB	
COc1cc(/N=N/c2ccccc2Br)cc(C=O)c1O	70461990	PGKCFFJAYIEVKY-WUKNDPDISA-N	335.157	4.391	10	40	EICB	
CC(=O)c1ccc(NC2=NC(=O)/C(=C/C=C/c3ccco3)S2)cc1	5374563	PCUPPJGFEZPAOG-HYLYESJESA-N	338.388	4.121	10	40	EICB	
Cc1ccc(N2C(=O)/C(=C/c3cccc(O)c3)SC2=S)c(C)c1	5744627	AAKQXLMCVGBKCW-YBEGLDIGSA-N	341.457	4.415	10	40	EICB	
CN(Cc1ccccc1)[C@H](c1ccccc1)c1cc2c(cc1O)OCO2	20761945	TVABVMJFVZRKFT-JOCHJYFZSA-N	347.414	4.342	10	40	EICB	biogenic
COc1ccc(/C=C2/SC(Nc3cccc(C)c3C)=NC2=O)cc1	35644497	ZJAJKZIXGLBIBU-GZTJUZNOSA-N	338.432	4.394	10	40	EICB	
C[C@H](NC(=S)Nc1ccc(F)cc1)c1ccc(N2CCCC2)cc1	225694533	QWZJDBNJFQALFL-AWEZNQCLSA-N	343.471	4.474	10	40	EICB	
Cc1ccc(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cc1C	224109009	DDRQDGWRYXBNGF-MRXNPFEDSA-N	336.479	4.470	10	40	EICB	
CN(C)c1ccc(CNC(=O)C2(c3cccc(Cl)c3)CCC2)cc1	26081930	KVMDIDFNNWRPAK-UHFFFAOYSA-N	342.870	4.144	10	40	EICB	
C[C@H](NCc1ccc(N(C)CCO)cc1)c1cccc2ccccc12	32735877	PSFNXJBBNPZJJY-KRWDZBQOSA-N	334.463	4.119	10	40	EICB	
Cc1ccccc1C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	6804306	HHDMCXRKHMYAQD-UHFFFAOYSA-N	348.446	4.497	10	40	EICB	
CCCOc1ccccc1/C=C1\SC(N2CCC(C)CC2)=NC1=O	33385804	LATXBSXPJNWJMM-LGMDPLHJSA-N	344.480	4.178	10	40	EICB	
C[C@H](NC(=O)Cc1ccc(F)cc1)c1ccc(N2CCCCC2)cc1	222679401	RTQKFBGCWRSLMO-INIZCTEOSA-N	340.442	4.236	10	40	EICB	
CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C\NC1CCCCC1	12410847	RQJGHZJRBSXDKT-LGMDPLHJSA-N	329.419	4.135	10	40	EICB	
CSc1cccc(N2C(=O)/C(=C\c3ccco3)SC2=S)c1	409349533	QRXZMWQPHBYRCF-UKTHLTGXSA-N	333.459	4.407	10	40	EICB	
C[C@@H]1CCCN(C2=NC(=O)/C(=C\c3ccc(Cl)s3)S2)C1	96346677	KZGRKOGLIREOHW-MXFUOJGSSA-N	326.874	4.104	10	40	EICB	
CCCC1=C/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)O1	3848462	SFTKTMJDMNYCMR-QBFSEMIESA-N	325.320	4.479	10	40	EICB	
Cc1cccc(N[C@H](c2ccco2)c2ccc3cccnc3c2O)n1	27644891	UMCBMHAVSLEJKI-IBGZPJMESA-N	331.375	4.438	10	40	EICB	
Cc1ccc(/C=C2/SC(=S)N(C(=O)c3ccccc3)C2=O)cc1	3213381	ANVDJVHITRMCAJ-RVDMUPIBSA-N	339.441	4.037	10	40	EICB	
COc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1	4014991	IQOPUMYKTMIJGV-WJDWOHSUSA-N	341.457	4.097	10	40	EICB	
COc1ccc(NC(=S)Nc2cccc(N3CCCC3)c2)cc1	408587999	VTBYOXCPLPEPEV-UHFFFAOYSA-N	327.453	4.104	10	40	EICB	
CCN(CC)c1ccc(CN(C)C(=O)Nc2ccccc2OC)cc1	17743781	NHOKJMMIXJULJZ-UHFFFAOYSA-N	341.455	4.205	10	40	EICB	
O=C1[C@H](Cc2ccccc2Cl)SC(=S)N1c1ccccc1	4539866	PBJCLGPACINUQO-AWEZNQCLSA-N	333.865	4.316	10	40	EICB	
Cc1ccccc1C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	4747139	VRCCZPIMEFAQKZ-UHFFFAOYSA-N	341.366	4.023	10	40	EICB	
Cc1ccc2c(c1NCCc1ccccc1)C(=O)c1ccccc1C2=O	5125440	AYXLRIRVFOSTOK-UHFFFAOYSA-N	341.410	4.425	10	40	EICB	
CN(Cc1ccccc1O)C(=O)Nc1ccc(SC(F)F)cc1	47318671	OYCRNKJTRAGHOD-UHFFFAOYSA-N	338.379	4.371	10	40	EICB	
CCN(CC)c1ccc(CNC(=O)c2ccccc2SC)cc1	193743744	YVWZXWKSDNVRMI-UHFFFAOYSA-N	328.481	4.185	10	40	EICB	
COc1ccc2cc(C3=C/C(=C/c4ccncc4)C(=O)O3)ccc2c1	408722753	MXIVNFBPBCHABF-ZDLGFXPLSA-N	329.355	4.225	10	40	EICB	
CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1ccc(O)cc1	1615546218	MSEMSDUBZGPZTH-UHFFFAOYSA-N	349.452	4.024	10	40	EICB	
COc1cccc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)c1	2252650	KNSDBMPGBJVIED-WJDWOHSUSA-N	341.457	4.409	10	40	EICB	
O=C(O)c1ccccc1[C@@H]1Nc2c(F)cc(F)cc2[C@@H]2C=CC[C@H]21	409158543	XPEVSAHRIVMQFO-PSTGCABASA-N	327.330	4.490	10	40	EICB	
C[C@H]1CCC[C@@]1(O)CNCc1ccc(N(C)Cc2cccs2)cc1	1651134290	VFUZLWMLOUXJTG-OXJNMPFZSA-N	344.524	4.025	10	40	EICB	
O=C(c1ccccc1)c1ccc(Sc2nccs2)c([N+](=O)[O-])c1	58394145	LGYWAAABVZLOIC-UHFFFAOYSA-N	342.401	4.434	10	40	EICB	
CCCCN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2C)C1=O	409060205	ZTCXBJPDBWXYEF-LGMDPLHJSA-N	344.480	4.432	10	40	EICB	
Cc1ccc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)s1	409197236	ZMUSLTAGEBAHDA-MDWZMJQESA-N	334.491	4.012	10	40	EICB	
CCOc1ccccc1NC1=NC(=O)/C(=C\c2ccc(F)cc2)S1	4869760	CPCHEBQLWJWTFI-LFIBNONCSA-N	342.395	4.307	10	40	EICB	
Oc1cc(/C=C(\Cl)c2nc(O)c3ccccc3n2)cc(Cl)c1O	8777737	AIQBTYHXRMRCGB-WDZFZDKYSA-N	349.173	4.137	10	40	EICB	
CC1CCN(C(=S)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1	8843388	QKFBXYCIDZOONC-UHFFFAOYSA-N	330.409	4.262	10	40	EICB	
CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(C(=O)O)cc1)N2	111442547	NXZMPSFMEMOYEX-FUHIMQAGSA-N	333.387	4.414	10	40	EICB	
O=[N+]([O-])c1ccc([C@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]23)cc1	224692658	ZJRRXSHPDQPRCB-RVKKMQEKSA-N	337.335	4.330	10	40	EICB	
O=C1N=C(N2CCCCC2)S/C1=C/c1ccc(-c2ccccc2)o1	530623	DRUDZYMMQDEITE-GHRIWEEISA-N	338.432	4.403	10	40	EICB	
COCCNc1nc(-c2cc(C)n(-c3ccc(F)cc3)c2C)cs1	3331353	LSHGDBWHHYWYQI-UHFFFAOYSA-N	345.443	4.415	10	40	EICB	
COc1ccccc1N(C)C(=O)c1ccc(-n2c(C)ccc2C)cc1	58357902	JAVBMPDDANFIRN-UHFFFAOYSA-N	334.419	4.379	10	40	EICB	
CCCOc1ccc2ccccc2c1/C=C1/SC(=S)N(C)C1=O	409345653	JXDUSSLWISKZPY-LFIBNONCSA-N	343.473	4.460	10	40	EICB	
Cc1ccccc1N1C(=O)c2ccc(Oc3ccc(N)cc3)cc2C1=O	240443	BPGYENWWZMNYAA-UHFFFAOYSA-N	344.370	4.170	10	40	EICB	
O=[N+]([O-])c1cccc(F)c1CN(Cc1ccccc1O)C1CCCC1	89813914	BITGYEXFLBHYCF-UHFFFAOYSA-N	344.386	4.384	10	40	EICB	
COc1ccc(NC2=NC(=O)/C(=C/c3c[nH]c4ccccc34)S2)cc1	5374498	PTGSFYUNQRMMDL-YVLHZVERSA-N	349.415	4.259	10	40	EICB	
C[C@H](Sc1nccs1)C(=O)Nc1ccccc1C(F)(F)F	52914140	FVEHOKCVRCSRNF-QMMMGPOBSA-N	332.372	4.281	10	40	EICB	
COc1ccc(-n2c(C)cc(C(=O)CN3CCC(C)CC3)c2C)cc1	89245	XBPRYEAHZAXLQD-UHFFFAOYSA-N	340.467	4.017	10	40	EICB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1Cl	58854593	SMEFNNJCBVXSGD-XNTDXEJSSA-N	341.754	4.054	10	40	EICB	
COc1ccc(OC)c(/C=C2/C=C(c3ccc(C)c(C)c3)OC2=O)c1	4852829	DVNQZUCAWZNXTA-YVLHZVERSA-N	336.387	4.302	10	40	EICB	
c1ccc(-c2cnc(SC[C@@H]3CCCO3)n2C[C@H]2CCCO2)cc1	54774262	KSGKQZFUZYVEAW-SJORKVTESA-N	344.480	4.000	10	40	EICB	
O=S(=O)(O)c1ccc(/N=N\c2ccc(O)c3ccccc23)cc1	100412689	PURJGKXXWJKIQR-ZCXUNETKSA-N	328.349	4.208	10	40	EICB	endogenous,in-man
COc1ccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc1	13602647	JOIUSYQOJVFCNX-DHDCSXOGSA-N	345.420	4.240	10	40	EICB	
O=C(O)CCc1ccc(-c2ccc(F)cc2)n1-c1ccccc1O	4675257	YFJJDRUZTYULMQ-UHFFFAOYSA-N	325.339	4.006	10	40	EICB	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1ccccc1	25085675	ADYYAWIYPKKNDX-UHFFFAOYSA-N	337.467	4.019	10	40	EICB	
CCOc1ccccc1NC1=NC(=O)/C(=C\c2ccc(C)cc2)S1	35644175	PNQMFKKJZOHYKM-SFQUDFHCSA-N	338.432	4.476	10	40	EICB	
CC1CCN(c2ccc([C@@H](C)NC(=O)Cc3cccs3)cc2)CC1	225862096	NOWQPIBPYIQBKM-MRXNPFEDSA-N	342.508	4.404	10	40	EICB	
Cc1cccc(N2C(=O)/C(=C/c3cccn3C)SC2=S)c1C	2434820	IEQHNQOSZKASIB-GDNBJRDFSA-N	328.462	4.048	10	40	EICB	
CC(C)c1ccc(/C=C2\SC(=S)N(CN3CCCC3)C2=O)cc1	33286000	HDRVTBATPAAWSM-WJDWOHSUSA-N	346.521	4.065	10	40	EICB	
Cc1ccc(C)n1-c1ccc([C@@H]2CCCN2C(=O)c2ccccc2)cn1	72216769	YAXUZWSIHVEUGM-FQEVSTJZSA-N	345.446	4.466	10	40	EICB	
COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccccc1	408896774	ZYANYGAATWOLBB-NOMGLIDZSA-N	347.414	4.120	10	40	EICB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)cs1	408904747	NYYSWMRABZBQIZ-RIYZIHGNSA-N	347.237	4.317	10	40	EICB	
O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccccn1)N2	4623395	UWMDMCQMWLCEGN-UVWXRNBGSA-N	327.771	4.470	10	40	EICB	
COc1ccc(CN(C)Cc2c(O)ccc3ccccc23)cc1OC	6865360	XURXIVHYFHEUAX-UHFFFAOYSA-N	337.419	4.195	10	40	EICB	
O=C1N=C(Nc2ccc(O)cc2)S/C1=C\c1ccccc1Cl	16904720	YZLLRDXISMLWFO-ZROIWOOFSA-N	330.796	4.128	10	40	EICB	
[N-]=[N+]=NCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccccc1	102828607	OPKXLGTVFDSERR-INIZCTEOSA-N	339.786	4.328	10	40	EICB	
CCN(CC)c1ccc(CNC(=O)[C@H](C)Sc2ccccc2)cc1	222918722	YCONURYNKARYSS-INIZCTEOSA-N	342.508	4.330	10	40	EICB	
Cc1ccc(N2C(=O)/C(=C/c3cccc(C)n3)SC2=S)c(C)c1	409328475	VYWDKFTYABEHNQ-YBEGLDIGSA-N	340.473	4.413	10	40	EICB	
O=C(c1cccs1)N1N=C(c2ccco2)C[C@@H]1c1ccccc1O	7616080	VRNUIHLFWQYVQY-CQSZACIVSA-N	338.388	4.038	10	40	EICB	
O=C1/C(=C/c2ccccc2O)SC(=S)N1c1cccc(Cl)c1	16754624	OJALOFAFJAOXTQ-ZSOIEALJSA-N	347.848	4.451	10	40	EICB	
CCOc1ccc(Nc2nc(-c3ccc(O)c(O)c3)cs2)cc1	28465493	YRRZNSULSGVTJW-UHFFFAOYSA-N	328.393	4.364	10	40	EICB	
Cc1ccc(NCc2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(C)c1	226241431	XCXGHUSCBYNARK-UHFFFAOYSA-N	325.412	4.424	10	40	EICB	
CCCc1cc(CN2CCCCC2)c(O)c(CN2CCCCC2)c1O	1701311	NOLJMEANOUVBMU-UHFFFAOYSA-N	346.515	4.022	10	40	EICB	
Cc1cc(N2CCCCC2)ccc1/C=C1/SC(=O)N(C(C)C)C1=O	9265644	BENCDVSZGBSEIV-SFQUDFHCSA-N	344.480	4.430	10	40	EICB	
CC(C)c1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1	16790836	AENIMYBLSXSYQQ-CCAPLTMGSA-N	347.505	4.190	10	40	EICB	
CC(C)N1C(=O)/C(=C/C2=Cc3ccccc3O[C@@H]2C)SC1=S	5880947	QNRDWJKEQQIQND-PDICVPPASA-N	331.462	4.004	10	40	EICB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3\SC(=O)NC3=O)c2C)c1	5128574	ATDDXTPIVHCVOH-SXGWCWSVSA-N	326.421	4.035	10	40	EICB	
Cc1ccc(-c2cnc(NCc3cc(Cl)ccc3O)n2C)cc1	4678528	QHUMBAIAOAJUDJ-UHFFFAOYSA-N	327.815	4.367	10	40	EICB	
O=C1/C(=C/c2cccc(F)c2)SC(=S)N1CCc1ccccc1	2416523	BWPDXDKPVUHCEO-VBKFSLOCSA-N	343.448	4.270	10	40	EICB	
CCc1ccc(/C=C2/SC(Nc3ccc(F)cc3)=NC2=O)cc1	8337815	NRCNJYYPLVZQHA-LFIBNONCSA-N	326.396	4.471	10	40	EICB	
O=C(Nc1cccc(N2CCCC2)c1)c1ccc(N2CCCC2)cc1	7383152	FDIOTNQIOZCJFY-UHFFFAOYSA-N	335.451	4.139	10	40	EICB	
Cn1c([C@@H]2CCCN2Cc2c(O)cccc2Cl)nc2ccccc21	97032709	NPFXBDKQBYXHSC-KRWDZBQOSA-N	341.842	4.269	10	40	EICB	
CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\Nc1ccc(Cl)cn1	5277161	XRJYFHWVXGFBKS-GDNBJRDFSA-N	340.814	4.070	10	40	EICB	
COc1cc(C)c(C(=O)C(=O)c2c(C)cc(OC)cc2C)c(C)c1	1662223	QYYQBUDXSPULIV-UHFFFAOYSA-N	326.392	4.003	10	40	EICB	
COc1cccc(NC2=NC(=O)/C(=C/c3c[nH]c4ccccc34)S2)c1	5374495	RZEPNYZLAXOTGZ-MFOYZWKCSA-N	349.415	4.259	10	40	EICB	
COc1cc(N(C)C)c(OC)cc1/C=C/c1ccnc2ccccc12	6374982	WNRMQAWGIWTTME-MDZDMXLPSA-N	334.419	4.488	10	40	EICB	
O=C1N=C(NC2CCCCC2)S/C1=C\c1ccc(Cl)s1	14177802	NTPZTHDYBYJHBO-FLIBITNWSA-N	326.874	4.294	10	40	EICB	
Cc1cccc(C(=O)N2C(=O)/C(=C\c3ccccc3)SC2=S)c1	5004974	RLTMPBXZVBUCBB-RVDMUPIBSA-N	339.441	4.037	10	40	EICB	
COc1cc(NCc2cc(Cl)ccc2O)c(OC)cc1Cl	20555866	UEEOTGCBSOHMMA-UHFFFAOYSA-N	328.195	4.328	10	40	EICB	
COc1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(C)cc2)cc1	408940558	CLUIVUVGSBSCJJ-UHFFFAOYSA-N	335.403	4.479	10	40	EICB	
Nc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2F)C3=O)cc1	265869	CYCHPXOXAXUCBV-UHFFFAOYSA-N	348.333	4.001	10	40	EICB	
COc1ccc2ccc(O)c(CN(C)CCOc3ccccc3)c2c1	12747791	MVAVGIYZDTVVEU-UHFFFAOYSA-N	337.419	4.065	10	40	EICB	
N=C1/C(=C\c2cccs2)C(=O)N=C2SC=C(c3ccccc3)N12	13810053	OQPKJAGKJYOJHX-UMNMHFGOSA-N	337.429	4.052	10	40	EICB	
CN(C)c1ccc(N2C(=O)/C(=C\c3ccccc3)SC2=S)cc1	7621591	RRIOHFCWYBXCBQ-FOWTUZBSSA-N	340.473	4.158	10	40	EICB	
Cc1cccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c1	9188710	QMZQOHDQSPWKCQ-LGMDPLHJSA-N	339.485	4.439	10	40	EICB	
CN(C)c1ccc([C@H]2SCCN2C(=O)Nc2ccccc2)cc1	28232377	YMDQRIPNKFERJL-QGZVFWFLSA-N	327.453	4.032	10	40	EICB	
O=C(CCc1ccc(Cl)cc1)NCc1ccc(N2CCCC2)cc1	225305652	JVEFFSMZKACSPT-UHFFFAOYSA-N	342.870	4.189	10	40	EICB	
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1ccc(Cl)cn1	6556868	UIBGAHDJNDAEOL-MHWRWJLKSA-N	340.814	4.070	10	40	EICB	
CCOc1ccc(/C=C2/SC(Nc3ccccc3F)=NC2=O)cc1	8323853	OJCHENMXEDKOSA-LFIBNONCSA-N	342.395	4.307	10	40	EICB	
CCOc1ccc(CN(C)Cc2cc(C)c(C)cc2O)cc1OC	6209154	MOEOPAGPYMBBTC-UHFFFAOYSA-N	329.440	4.048	10	40	EICB	
Cc1ccc(N2C(=O)/C(=C/c3cccnc3)SC2=S)cc1C	13284493	PENYYSXFTHRKPP-DHDCSXOGSA-N	326.446	4.104	10	40	EICB	
Cc1c(C)c2cc(CN(C)Cc3ccccc3)c(O)c(C)c2oc1=O	2130595	BJEXHFQZHGWYSI-UHFFFAOYSA-N	337.419	4.056	10	40	EICB	biogenic
O=C1/C(=C/C=C/c2ccco2)SC(=S)N1c1ccccc1F	2453820	BNRCSUXICFNOHN-OXTPFRESSA-N	331.393	4.381	10	40	EICB	
CCOc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1	3034729	OXDLZMIEOHHHHD-FOWTUZBSSA-N	341.457	4.491	10	40	EICB	
O=C(Cc1ccccc1Cl)NCc1ccc(N2CCCCC2)cc1	62225479	VLZNMFRHSUNMTE-UHFFFAOYSA-N	342.870	4.189	10	40	EICB	
COC(=O)c1cc(C)n(-c2ccc(Cl)cc2Br)c1C	223706531	DISZNMKPMPLKEZ-UHFFFAOYSA-N	342.620	4.297	10	40	EICB	
O=C1/C(=C\c2cccc(F)c2)SC(=S)N1c1cccc(F)c1	1288443	VRXKMTDYPRIECO-RIYZIHGNSA-N	333.384	4.371	10	40	EICB	
CCOc1ccc(-c2nc(-c3ccc(O)c(O)c3)cs2)cc1OC	12804950	MNHCCQRMUSIKQI-UHFFFAOYSA-N	343.404	4.296	10	40	EICB	
CCN(CC)c1ccc(CNC(=O)CSCc2ccccc2)cc1	224069668	REUBTJGNENHXPE-UHFFFAOYSA-N	342.508	4.082	10	40	EICB	
[N-]=[N+]=NCc1cc2ccc(I)cc2nc1Cl	685936950	DGQZBRWYMANIJG-UHFFFAOYSA-N	344.543	4.303	10	40	EICB	
S=C(c1ccc(-c2cccc(Cl)c2Cl)o1)N1CCOCC1	547192	SNNFNFHBVGAFIH-UHFFFAOYSA-N	342.247	4.261	10	40	EICB	
Cc1cccc([C@H]2N=C(O)c3c(sc4c3CC[C@H](C)C4)N2)c1O	6451196	FHTYCCIKEYRYBE-FVMDXXJSSA-N	328.437	4.316	10	40	EICB	
Cc1nn(C)c(C)c1/C=C/C(=O)N(Cc1ccccc1)c1ccccc1	95348853	OGWVAWZNPYSFAQ-CCEZHUSRSA-N	345.446	4.284	10	40	EICB	
CN(C)c1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1	409126385	FPJMFMSDGDKHHT-SFQUDFHCSA-N	344.480	4.369	10	40	EICB	
Oc1ccccc1C1=NN2[C@H](c3ccccn3)Oc3ccccc3[C@H]2C1	10215190	QBBSAYXIDJBUOZ-NQIIRXRSSA-N	343.386	4.030	10	40	EICB	
CN1CCN(C2=Cc3ccccc3Sc3cc(F)ccc32)CC1	19802400	KKWBALVHTAINIA-UHFFFAOYSA-N	326.440	4.036	10	40	EICB	
Cc1ccc(C)n1-c1ncc(Br)cc1Br	48508602	NZFRWYUFFMEEGT-UHFFFAOYSA-N	330.023	4.014	10	40	EICB	
c1ccc(-c2cnc(SC[C@H]3CCCO3)n2C[C@H]2CCCO2)cc1	54774267	KSGKQZFUZYVEAW-IAGOWNOFSA-N	344.480	4.000	10	40	EICB	
Cc1ccc(C)n1-c1ncccc1[C@@H]1CCCN1C(=O)c1ccccc1	72216829	SWPGRHSPXJPATI-FQEVSTJZSA-N	345.446	4.466	10	40	EICB	
CN(Cc1ccccc1O)C(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F	77258337	XLYXBMFXXPVPQM-GJZGRUSLSA-N	349.352	4.173	10	40	EICB	
CCc1ccc(N2C(=O)/C(=C/c3ccccc3O)SC2=S)cc1	5371188	NLJINJQCFYGSAD-WJDWOHSUSA-N	341.457	4.360	10	40	EICB	
CC(C)(C)NC(=O)c1ccc2nc3ccc4ccccc4c3nc2c1	408723073	ZFYMUNOKUYLSPR-UHFFFAOYSA-N	329.403	4.465	10	40	EICB	
O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccn1)N2	409158464	YETDJPUNZIHBGL-PEBVRCNWSA-N	327.771	4.470	10	40	EICB	
Cc1ccc(N2C(=O)/C(=C\c3ccncc3)SC2=S)cc1C	5812863	OUPIOBYVPCHIEQ-XNTDXEJSSA-N	326.446	4.104	10	40	EICB	
CCC(C)(C)[C@@H]1CCc2nc3sc(C(=O)OC)c(N)c3cc2C1	13579079	BFZXCCXOKPJFMI-LLVKDONJSA-N	332.469	4.206	10	40	EICB	
[N-]=[N+]=NCc1cc2cc(I)ccc2nc1Cl	685937502	ZWVYPLPNMZKJHM-UHFFFAOYSA-N	344.543	4.303	10	40	EICB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3/SC(=O)NC3=O)cc21	223481971	LYDLEVAZENYRLX-CXUHLZMHSA-N	342.464	4.421	10	40	EICB	
Cc1cccc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)n1	409339506	JHCQRVMXNDEORQ-XNTDXEJSSA-N	326.446	4.104	10	40	EICB	
O=C1/C(=C/c2ccccc2)N=C(c2ccccc2)N1c1ccc(O)cc1	1091161	RNLKLNRRJIILJA-HKWRFOASSA-N	340.382	4.227	10	40	EICB	
CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NC1CCCCCC1	112110854	VRKUOKBALFMSAI-AQTBWJFISA-N	329.419	4.135	10	40	EICB	
Cc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1	169612869	GYQLDPIXTSAYEB-PTNGSMBKSA-N	330.309	4.344	10	40	EICB	
O=C(O)c1ccccc1[C@@H]1Nc2c(F)cc(F)cc2[C@@H]2C=CC[C@@H]21	409158536	XPEVSAHRIVMQFO-BWACUDIHSA-N	327.330	4.490	10	40	EICB	
Cc1ccc(NC(=S)NCCCN2CCc3ccccc32)cc1C	225558644	WRJZBACJQZXVBF-UHFFFAOYSA-N	339.508	4.043	10	40	EICB	
O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccnc1)N2	409168040	KVPUIJDUJNNGDH-IOASZLSFSA-N	327.771	4.470	10	40	EICB	
Cc1cccc(NC2=NC(=O)/C(=C/c3ccc(F)c(F)c3)S2)c1	57438685	AMPQGPGNZJCDBS-DHDCSXOGSA-N	330.359	4.356	10	40	EICB	
CN1CCC[C@@H](NC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1	70040675	ZCSYDWLTHVOBJU-KGNHYALCSA-N	337.427	4.318	10	40	EICB	
CC(=O)N1N=C(c2ccc3ccccc3c2O)C[C@@H]1c1cccs1	5855437	QVGCZUSFVHLBCB-QGZVFWFLSA-N	336.416	4.305	10	40	EICB	
CCN(CC)c1ccc([C@H]2NC(=O)c3c(sc(C)c3C)N2)cc1	4062877	MRYXGOANIYHZNH-INIZCTEOSA-N	329.469	4.065	10	40	EICB	
COC(=O)c1cccc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1	7468508	CTXMPVFRTLPWIA-UHFFFAOYSA-N	348.402	4.133	10	40	EICB	
CCCCCN/C(C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C	112112931	WSRWLRNWOWBHLP-VBKFSLOCSA-N	342.468	4.073	10	40	EICB	
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1	5342557	PFLLJBBLYXZZSB-WQRHYEAKSA-N	335.363	4.018	10	40	EICB	
O=C1C(c2ccccc2)=S=C2c3ccccc3-c3ccccc3N12	82068107	FRFLRXAIFYEOEP-UHFFFAOYSA-N	327.408	4.146	10	40	EICB	
CCC(CC)C(=O)N1N=C(c2ccco2)C[C@H]1c1ccccc1O	95945154	XEIZLXNMBWEWHR-INIZCTEOSA-N	326.396	4.099	10	40	EICB	
Cc1cc(CO)c(C)n1-c1ccc(OCc2ccccc2F)cc1	470844	GNZNQELRJQLIAP-UHFFFAOYSA-N	325.383	4.305	10	40	EICB	
Cc1ccccc1N1C(=O)/C(=C/c2ccc(O)cc2)SC1=S	1416407	DCRFURASZKACAP-GDNBJRDFSA-N	327.430	4.106	10	40	EICB	
N#Cc1ccc(Oc2ccc(C(=O)C(=O)c3ccccc3)cc2)cc1	3267692	DGNHMDOFJBHOAL-UHFFFAOYSA-N	327.339	4.416	10	40	EICB	
c1coc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCCO3)c1	4597431	UENSIXLPLYMXMK-UHFFFAOYSA-N	333.347	4.109	10	40	EICB	
CN(Cc1ccccc1O)C(=O)C(c1ccccc1)c1ccccc1	42116826	XSBUINZHAHBFEZ-UHFFFAOYSA-N	331.415	4.183	10	40	EICB	
COc1ccccc1N1C(=O)/C(=C/c2cccc(F)c2)SC1=S	1252072	MUNRKZLCVMGFMU-GDNBJRDFSA-N	345.420	4.240	10	40	EICB	
Cc1cc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c(C)o1	12563060	BIPAZPMRUCNMHX-UHFFFAOYSA-N	326.440	4.159	10	40	EICB	
COc1ccc(/N=N\c2c(C)nc(N)nc2-c2ccccc2)c(OC)c1	16951216	JIDLKYXCIINJHR-VHXPQNKSSA-N	349.394	4.467	10	40	EICB	
Cc1ccc(N2C(=O)/C(=C/Nc3ccc(F)cc3)SC2=S)cc1	618255160	QBJZLYVEAPWMMQ-GDNBJRDFSA-N	344.436	4.452	10	40	EICB	
CN(Cc1ccccc1O)C(=O)c1cc2ccccc2c2cccnc12	53916264	WTVADYXFSYKIEZ-UHFFFAOYSA-N	342.398	4.366	10	40	EICB	
O=S(=O)(O)c1ccc(N=Nc2ccc(O)c3ccccc23)cc1	254403001	PURJGKXXWJKIQR-UHFFFAOYSA-N	328.349	4.208	10	40	EICB	
O=C1/C(=C\C=C\c2ccco2)SC(=S)N1c1ccc(F)cc1	2444217	FGEIQFUAKYXHLJ-GSPDUGTFSA-N	331.393	4.381	10	40	EICB	
C[C@@H](NCc1ccc2c(c1)CCO2)c1cc(Cl)c(N)c(Cl)c1	95444371	PBUPUZXQBXOWGC-SNVBAGLBSA-N	337.250	4.361	10	40	EICB	
Cc1ccc(CCC(=O)NCc2ccc(N3CCCC3)cc2)cc1C	223074649	QDACYUSDTCIIIB-UHFFFAOYSA-N	336.479	4.153	10	40	EICB	
COc1cccc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)c1OC	2738544	PRALBDGHEHNWRA-WJDWOHSUSA-N	339.416	4.073	10	40	EICB	
CC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(C)o3)SC2=S)cc1	4745670	BPWKTSGXYRKULX-OQLLNIDSSA-N	343.429	4.196	10	40	EICB	
CN(C)c1ccc(CN(C(=O)c2ccc(F)cc2)c2ccccn2)cc1	28287870	JKGYIFVMDDPRIS-UHFFFAOYSA-N	349.409	4.134	10	40	EICB	
O=C1/C(=C/c2ccc3nccnc3c2)SC(=S)N1c1ccccc1	54361155	SJRCWBAQBBIFEN-WJDWOHSUSA-N	349.440	4.036	10	40	EICB	
Oc1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@H]2c1ccccn1	10215187	QBBSAYXIDJBUOZ-RXVVDRJESA-N	343.386	4.030	10	40	EICB	
O=S(=O)(O)c1ccc(/N=N\c2c(O)ccc3ccccc23)cc1	13512486	RDUJRVXKAIVTDH-ZCXUNETKSA-N	328.349	4.208	10	40	EICB	endogenous,in-man
Cc1ccccc1NS(=O)(=O)c1ccc(-n2c(C)ccc2C)cc1	58850351	JIZJPJZAIFTNRC-UHFFFAOYSA-N	340.448	4.203	10	40	EICB	
CCN1c2ccc(/C=C3/SC(=O)N(C)C3=O)cc2[C@@H](C)CC1(C)C	223532200	XIHVRHBVKYSLCA-SEJMYLSOSA-N	344.480	4.465	10	40	EICB	
O=[N+]([O-])c1cccc([C@H]2Nc3c(cccc3[N+](=O)[O-])[C@H]3C=CC[C@@H]32)c1	4456016	LTMGPJMANGFVQM-GRDNDAEWSA-N	337.335	4.330	10	40	EICB	
Oc1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@@H]2c1ccccn1	102907248	QBBSAYXIDJBUOZ-GHTZIAJQSA-N	343.386	4.030	10	40	EICB	
COc1ccc2cc(C3=C/C(=C/c4ccccn4)C(=O)O3)ccc2c1	408722269	GCLULBSNQDERJA-BOPFTXTBSA-N	329.355	4.225	10	40	EICB	
COc1ccc(/C=C/c2cc[n+](C(=O)Cc3ccccc3)cc2)cc1	3176780	QHSXLFJZNQFYPQ-BQYQJAHWSA-N	330.407	4.036	10	40	EICB	
COc1ccc(N2C(=O)/C(=C/c3cccc(C)c3)SC2=S)cc1	9188714	ISFOUZHZJYFPBF-WJDWOHSUSA-N	341.457	4.409	10	40	EICB	
CCc1ccc(/C=C2/SC(Nc3ccccc3F)=NC2=O)cc1	8337852	QKAYTFVQQJADPZ-LFIBNONCSA-N	326.396	4.471	10	40	EICB	
Fc1ccc(NC(=S)NCc2ccc(N3CCCC3)cc2)c(F)c1	41744935	ZDYCZLJEADIHGY-UHFFFAOYSA-N	347.434	4.052	10	40	EICB	
CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccccn1	100423254	TZJMGLFGSNNBNV-AQTBWJFISA-N	338.386	4.110	10	40	EICB	
C[C@H](NC(=O)Cc1cccs1)c1ccc(N2CCC[C@@H](C)C2)cc1	223207206	QHOLZBNBIWQFJU-CVEARBPZSA-N	342.508	4.404	10	40	EICB	
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(C)cc1	13563219	JFFFLFKSZKWIKS-RGEXLXHISA-N	347.414	4.262	10	40	EICB	
Cn1c([C@H]2CCCN2Cc2c(O)cccc2Cl)nc2ccccc21	97032710	NPFXBDKQBYXHSC-QGZVFWFLSA-N	341.842	4.269	10	40	EICB	
S=C(NCCCN1CCc2ccccc21)Nc1ccc(Cl)cc1	225558845	KOWYLBGDISJRGB-UHFFFAOYSA-N	345.899	4.079	10	40	EICB	
Cc1cccc(NCc2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1C	226241420	DKTOVDIIUUVRBA-UHFFFAOYSA-N	325.412	4.424	10	40	EICB	
Cc1cc(C)c2c(NCc3ccc(N4CCCCC4)cc3)n[nH]c2n1	4907171	UBUZOLSEEFQVBK-UHFFFAOYSA-N	335.455	4.177	10	40	EICB	
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1ccc(F)cc1	101128735	NFANMZMVXGDSLD-MHWRWJLKSA-N	329.762	4.198	10	40	EICB	
O=C1/C(=C/Nc2ccccc2F)SC(=S)N1c1ccccc1	618255188	QVJHRRDALIIVNE-UVTDQMKNSA-N	330.409	4.144	10	40	EICB	
Nc1c(C(=O)Oc2ccccc2)sc2nc(-c3ccco3)ccc12	521181	XZGCUBOXTHOJAV-UHFFFAOYSA-N	336.372	4.358	10	40	EICB	
O=C(c1nc[nH]c1/N=N/c1c(O)ccc2ccccc12)N1CCCCC1	6025796	PAIVGWHSLLFYPW-GHVJWSGMSA-N	349.394	4.310	10	40	EICB	
CN(C)c1ccc(CNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1	12556265	HXQPAAYYRVFMNA-UHFFFAOYSA-N	347.462	4.043	10	40	EICB	
CC(=O)c1ccc(/N=N\C(=S)NNc2ccc(C(C)=O)cc2)cc1	104074301	NBRFYZRCXZHWBK-VZCXRCSSSA-N	340.408	4.077	10	40	EICB	
COc1ccccc1N1C(=O)/C(=C/C=C/c2ccco2)SC1=S	2453781	KXTVSFYZTYYHHE-IJPYFETJSA-N	343.429	4.250	10	40	EICB	
Cc1cc(/C=C2\SC(=O)NC2=O)c(C)n1-c1cccc(Cl)c1	8741491	ODDXHLLFCMFKSX-AUWJEWJLSA-N	332.812	4.071	10	40	EICB	
CN(C)c1ccc(/C=C2\SC(=O)N(c3ccc(F)cc3)C2=O)cc1	12112954	RMGABHPJLRCMPR-WJDWOHSUSA-N	342.395	4.133	10	40	EICB	
COCCN(Cc1ccc(Cl)s1)c1ccc(OC)c(OC)c1	76093221	ZXPMULWFGLSLDE-UHFFFAOYSA-N	341.860	4.072	10	40	EICB	
CC1(C)OC(=O)C(=Cc2cccc3ccc4ccccc4c23)C(=O)O1	1692767	AXBHTYHZUFYGIY-UHFFFAOYSA-N	332.355	4.213	10	40	EICB	
Cc1ccc(C(=O)O)c2c1N[C@H](c1ccc(C(=O)O)cc1)[C@H]1CC=C[C@@H]21	409172910	GMCAGEWRVQBZGN-ZRGWGRIASA-N	349.386	4.218	10	40	EICB	
CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1cccc(C(F)(F)F)c1	13395691	JOOQNNLVTJBLDE-WJDWOHSUSA-N	345.324	4.424	10	40	EICB	
Cc1cc(O)c(CN(Cc2ccccc2)C[C@@H]2CCCO2)cc1C	60112638	SSEBVWOGKAMEEX-FQEVSTJZSA-N	325.452	4.190	10	40	EICB	
CCN(CC)c1ccc(/C=C2\SC(Nc3ccccc3)=NC2=O)o1	204987029	QOGLLSCOBXXJHB-QINSGFPZSA-N	341.436	4.208	10	40	EICB	
COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccc(C)cc1	408770164	UFCOYOMQMYHWSU-UYRXBGFRSA-N	347.414	4.181	10	40	EICB	
CCCCn1cnc2cc(NCc3cccc(OC)c3OC)ccc21	3907443	AEVQTRVSKDZNJP-UHFFFAOYSA-N	339.439	4.466	10	40	EICB	
O=C(Cc1ccc2c(c1)CCC2)NCc1ccc(N2CCCCC2)cc1	58369793	IUZBTCGCCCRMLT-UHFFFAOYSA-N	348.490	4.025	10	40	EICB	
CC1CCN(c2ccc([C@H](C)NC(=O)Cc3cccs3)cc2)CC1	225862109	NOWQPIBPYIQBKM-INIZCTEOSA-N	342.508	4.404	10	40	EICB	
O=C1/C(=C\c2ccc[nH]2)SC(=S)N1c1ccc(F)c(Cl)c1	32654882	PUTIQRTUVCUKJQ-WUXMJOGZSA-N	338.816	4.213	10	40	EICB	
CCCN1C(=O)/C(=C/c2cccc(C(F)(F)F)c2)SC1=S	409328507	WRPRCMLMUTXTBT-FLIBITNWSA-N	331.384	4.317	10	40	EICB	
Cc1ccc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)s1	17043027	UQRSWKXHTMYYJP-MDWZMJQESA-N	346.795	4.217	10	40	EICB	
O=C1/C(=C/c2cccc(F)c2)SC(=S)N1c1ccccc1F	1250476	RSBICGBLPFEQIK-ZROIWOOFSA-N	333.384	4.371	10	40	EICB	
Cc1cc(O)c(CN(C)Cc2ccc(Br)cc2)cc1C	22310970	TZYAAFDYVROSHE-UHFFFAOYSA-N	334.257	4.404	10	40	EICB	
CCc1ccc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)cc1	409342255	AZTZJCVFBLCCMH-WJDWOHSUSA-N	342.489	4.205	10	40	EICB	
O=C1/C(=C\c2c[nH]c3ccccc23)SC(=S)N1Cc1ccco1	1136412	BJWHIEUOIWFNAE-OVCLIPMQSA-N	340.429	4.162	10	40	EICB	
O=C(O)c1ccccc1[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@@H]2C=CC[C@H]21	409159648	OKSHOUJNSYMMOZ-SNUQEOBHSA-N	336.347	4.120	10	40	EICB	
CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc3c(c1)OCO3)N2	35076009	NDRUKTXGXGUMFE-XFQAVAEZSA-N	333.387	4.444	10	40	EICB	
O=C(O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccncc1)N2	409165101	SLMDBJFRDZIHFW-BFQNTYOBSA-N	326.783	4.260	10	40	EICB	
O=S(=O)(O)c1ccc2c(N=Nc3ccccc3)c(O)ccc2c1	12405047	GTRGJJDVSJFNTE-UHFFFAOYSA-N	328.349	4.208	10	40	EICB	
COc1ccc(N2N=C(C)/C(=C(\C)Nc3ccc(C)cc3C)C2=O)cc1	112114261	ZHRUNAZGLJPHOX-HKWRFOASSA-N	349.434	4.421	10	40	EICB	
COc1ccc(Nc2c(-c3ccccn3)nc3ccc(C)cn23)cc1	4735089	JMDZLOCDQSMYBP-UHFFFAOYSA-N	330.391	4.457	10	40	EICB	
CN(Cc1ccccc1O)C(=O)c1cc2c(ccc3ccccc32)[nH]1	83865602	LOVZQUJYOLIYQU-UHFFFAOYSA-N	330.387	4.299	10	40	EICB	
CCN(CCCNC(=S)Nc1ccc(F)cc1)c1ccc(C)cc1	225733376	QXSZBSKKAZRBOQ-UHFFFAOYSA-N	345.487	4.337	10	40	EICB	
CCCN1C(=O)/C(=C/c2ccccc2Br)SC1=S	9188416	WLWCUPYMGQYUGG-FLIBITNWSA-N	342.283	4.060	10	40	EICB	
CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(C(=O)O)cc1)N2	1461837	NXZMPSFMEMOYEX-MBOZVWFJSA-N	333.387	4.414	10	40	EICB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=C1/C(=O)N(C)c2ccccc21	3325930	FGVDLFNOZOXAOP-SFQUDFHCSA-N	349.821	4.351	10	40	EICB	
CCN(CCNC(=S)Nc1ccc(F)c(F)c1)c1ccc(C)cc1	225793615	FGNFYHCCZNYHQJ-UHFFFAOYSA-N	349.450	4.086	10	40	EICB	
CCOc1ccccc1NC1=NC(=O)/C(=C\C=C\c2ccco2)S1	27230164	BMRVRBOYTFWWKA-LLPGWTFISA-N	340.404	4.317	10	40	EICB	
COc1cccc(-c2cnc(NCc3cc(Cl)ccc3O)n2C)c1	819130	XTGDNRAKCFTLPG-UHFFFAOYSA-N	343.814	4.067	10	40	EICB	aggregator
CCC(=O)N[C@H](c1ccccc1)c1cc(Cl)c2cccnc2c1O	319157	ZQESALYHJCPXDX-QGZVFWFLSA-N	340.810	4.209	10	40	EICB	
CCCC1=C/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)O1	3848465	FHRXKUMSUAQNOI-QXMHVHEDSA-N	325.320	4.479	10	40	EICB	
Cc1cccc(N2C(=O)/C(=C/c3ccc(C=O)cc3)SC2=S)c1	5375067	BTNJUZYHDJWADG-YBEGLDIGSA-N	339.441	4.213	10	40	EICB	
COC(=O)c1ccc(/C=C2/C=C(c3ccc(C)cc3C)OC2=O)cc1	6233527	VTLYQFXUTBBFIM-BOPFTXTBSA-N	334.371	4.071	10	40	EICB	
O=C(O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccccn1)N2	59267090	UOOMRAKLNOZSDI-GLKRBJQHSA-N	326.783	4.260	10	40	EICB	
CCc1ccccc1N1C(=O)/C(=C/c2ccccc2O)SC1=S	5371187	USDOZFQSUCBKOO-WJDWOHSUSA-N	341.457	4.360	10	40	EICB	
C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2cccnc2)SC1=S	6545426	GZRCPYBYMUWKRA-XBUHWIKASA-N	326.446	4.044	10	40	EICB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCCC2)cc1	12349521	ODYOCWJRHZDKOB-HMMYKYKNSA-N	331.419	4.093	10	40	EICB	
Cc1ccc(CO)c2c1N[C@@H](c1ccc(C(=O)O)cc1)[C@H]1CC=C[C@H]21	4623662	GMRQDMOWAMYVIM-ZWOKBUDYSA-N	335.403	4.012	10	40	EICB	
CC(C)(C)C1=NN(c2ccccc2)C(=O)/C1=C\c1ccc2c(c1)OCO2	33389570	HDVGRUHAGPIRQW-WJDWOHSUSA-N	348.402	4.248	10	40	EICB	
Cc1ccc(C)n1-c1ccsc1C(=O)N(C)Cc1ccccc1O	56878555	LHXSPOAQGAOXTI-UHFFFAOYSA-N	340.448	4.133	10	40	EICB	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/Nc1ccc(Cl)cn1	101150093	AGSMJNXHJKIASG-NTEUORMPSA-N	347.205	4.107	10	40	EICB	
CN(C)c1ccc(/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1	1762659	OPTATLBAJXLARP-ONEGZZNKSA-N	347.758	4.393	10	40	EICB	
CCOc1cccc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)c1O	15016523	CEHOGVKDYXRPES-WJDWOHSUSA-N	339.416	4.160	10	40	EICB	
O=[N+]([O-])c1ccc2c(c1)CCCN2Cc1c(O)ccc2ccccc12	84595043	XGRVINJISGRKBP-UHFFFAOYSA-N	334.375	4.406	10	40	EICB	
Cc1cc(C(=O)O)c(C)n1-c1ccc(Cl)cc1Br	131291304	PSDFGFYEPFNDIS-UHFFFAOYSA-N	328.593	4.208	10	40	EICB	
Cc1c(C(=O)O)ccc2c1N[C@@H](c1ccc(C(=O)O)cc1)[C@H]1CC=C[C@@H]21	408863309	LSWTVUZPJKLDLK-GJYPPUQNSA-N	349.386	4.218	10	40	EICB	
CCOC(=O)c1sc2nc(-c3ccc(Cl)cc3)ccc2c1N	1471994	HFUXXYZKVVDQTJ-UHFFFAOYSA-N	332.812	4.376	10	40	EICB	
CCN(CC)c1ccc(CN(CCO)Cc2ccc(Cl)cc2)cc1	1671990	OJXIDQSROUSXRW-UHFFFAOYSA-N	346.902	4.181	10	40	EICB	
COc1ccc(Cl)cc1/C=C1/C(=O)N(c2ccccc2)N=C1C	3863307	BQXDCFHONLNQGF-LFIBNONCSA-N	326.783	4.155	10	40	EICB	
C[C@H](NC(=S)Nc1ccccc1F)c1ccc(N2CCCC2)cc1	225694476	XXQDYCDTNHJLCR-AWEZNQCLSA-N	343.471	4.474	10	40	EICB	
COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1cccnc1)N2	4168330	QOJLCDHPSFFGKY-XNJGSVPQSA-N	340.810	4.348	10	40	EICB	
CC[C@@H]1CCCCN1Cc1cc2c3c(c(=O)oc2c(C)c1O)CCC3	5025378	AWQWVKOTJKRDMZ-OAHLLOKOSA-N	341.451	4.060	10	40	EICB	
Cc1cc(C(=O)[C@H](C)Sc2nccn2C)c(C)n1-c1ccccc1	5359563	WNESHIWAHQORQG-HNNXBMFYSA-N	339.464	4.191	10	40	EICB	
COCSc1ncc(-c2ccc(F)cc2)n1Cc1ccccc1	32724160	JSUODSZVABWJAH-UHFFFAOYSA-N	328.412	4.434	10	40	EICB	
CC(C)N1C(=O)/C(=C\Nc2cccc(C(F)(F)F)c2)SC1=S	100167632	WXNBJCJHKRQOGO-YRNVUSSQSA-N	346.399	4.227	10	40	EICB	
CCN(CCCNC(=S)Nc1ccccc1F)c1ccc(C)cc1	225733335	YQKWTUWJROMHRD-UHFFFAOYSA-N	345.487	4.337	10	40	EICB	
O=[N+]([O-])c1ccccc1[C@@H]1Nc2c(cccc2[N+](=O)[O-])[C@H]2C=CC[C@H]21	4123626	CLXVLQZKEKFOOF-XWCIJXRUSA-N	337.335	4.330	10	40	EICB	
CCc1ccccc1N1C(=O)/C(=C/c2cccc(O)c2)SC1=S	5371208	RIINNHWHYWETFZ-WJDWOHSUSA-N	341.457	4.360	10	40	EICB	
Cc1cc(C)c(/N=N\c2cc(C)c(N)cc2C)c(S(=O)(=O)O)c1	17303090	FZXGFGSGKDOGMB-HNENSFHCSA-N	333.413	4.165	10	40	EICB	
O=C(NC1CCCCC1)N(Cc1ccco1)Cc1ccccc1O	40156492	XHZWOQUWEIJTRH-UHFFFAOYSA-N	328.412	4.030	10	40	EICB	
COc1ccc(CN(C)Cc2c(O)ccc3ccc(OC)cc23)cc1	6209152	IJHFMPSYAFWFNE-UHFFFAOYSA-N	337.419	4.195	10	40	EICB	
O=C(O)[C@@H]1[C@@H]2CC=C[C@@H]2c2c3c(cc4ccccc24)[C@H]2C=CC[C@H]2CN31	13590531	MQUABYFVEIZLIJ-NDWJVKEYSA-N	343.426	4.446	10	40	EICB	
CCc1ccc(NCc2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1	226242219	ZMJHLLURNKYCDT-UHFFFAOYSA-N	325.412	4.370	10	40	EICB	
CCCN1C(=O)/C(=C\c2ccc(O[C@H](C)CC)cc2)SC1=S	409329088	CNBAQRPYALURFG-PKVLTRFUSA-N	335.494	4.475	10	40	EICB	
CC(=O)c1ccc(-n2c(CCC(=O)O)ccc2-c2ccccc2)cc1	2621728	UDBMQGXJYYQCBF-UHFFFAOYSA-N	333.387	4.364	10	40	EICB	
O=C1c2ccccc2N[C@@H](c2ccccc2O)N1c1ccc(F)cc1	67192	ZEFTXOXLFAHRAD-LJQANCHMSA-N	334.350	4.302	10	40	EICB	
O=C1N=C(Nc2cccc(F)c2)S/C1=C\c1c[nH]c2ccccc12	5374484	YYWDRSKOKNUOAB-PXNMLYILSA-N	337.379	4.389	10	40	EICB	
O=C1N=C(N2CCCCC2)S/C1=C\c1csc2ccccc12	89866683	ZSWOBYAGORUDOT-GDNBJRDFSA-N	328.462	4.358	10	40	EICB	
CCN(CC)c1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1	13563467	LAIQSHPBBDZDBR-HMMYKYKNSA-N	333.435	4.339	10	40	EICB	
Oc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccncc2)cc1	102907371	PULUYYLFTLPVFL-TZIWHRDSSA-N	343.386	4.030	10	40	EICB	
Oc1nc(-c2ccccc2/N=N\N2CCCCC2)nc2ccccc12	104157807	MZBBNHCLLWAZOV-FCQUAONHSA-N	333.395	4.487	10	40	EICB	
O=C1/C(=C\c2ccc(O)cc2)C(c2ccccc2)=NN1c1ccccc1	110312220	UPKGJFGJRDCCHI-HKWRFOASSA-N	340.382	4.227	10	40	EICB	
COc1ccc(N2C(=O)/C(=C/c3ccccc3F)SC2=S)cc1	1416027	JMKOQOBSHLCUHH-GDNBJRDFSA-N	345.420	4.240	10	40	EICB	
C[C@@H]1C[C@H]1C(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12	10910258	XRESISWWGXCJAW-IQVOZAENSA-N	331.415	4.407	10	40	EICB	
CC(=O)OCC(=O)c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C	6977548	OKYBRCJZXOOHGF-UHFFFAOYSA-N	340.206	4.147	10	40	EICB	
O=C1c2ccccc2N[C@@H](c2ccc(N3CCCCC3)cc2)N1C1CC1	7886187	FMXYZOFJRCEVLE-OAQYLSRUSA-N	347.462	4.406	10	40	EICB	
Cc1cc(/C=C2\SC(=O)NC2=O)c(C)n1-c1ccccc1Cl	106693295	GTHWCUNHQIZOBB-ZSOIEALJSA-N	332.812	4.071	10	40	EICB	
CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ncccc1C	100423305	BNQAHUKSWNVJSW-SDXDJHTJSA-N	334.423	4.279	10	40	EICB	
O=C1N=C(Nc2ccc(Cl)cc2)S/C1=C\c1ccccc1O	211174663	AAWXYVYCCMMZCM-ZROIWOOFSA-N	330.796	4.128	10	40	EICB	
COC(=O)[C@]12CCCC(C)(C)[C@@H]1CCc1cc(C(C)C)c(O)c(O)c12	38822820	IIJLVJMZYPZQLW-YCRPNKLZSA-N	346.467	4.405	10	40	EICB	biogenic
CCOc1cccc(CNc2cc(Cl)c(OC)cc2OC)c1O	44836432	NYBHATLZCOZADU-UHFFFAOYSA-N	337.803	4.074	10	40	EICB	
COc1ccc(-n2c(C)cc(C(=S)N3CCCCC3)c2C)cc1	409204633	CBQMUVBHAHCXBN-UHFFFAOYSA-N	328.481	4.264	10	40	EICB	
O=C(O)[C@H]1[C@@H]2CC=C[C@H]2c2c3c(cc4ccccc24)[C@H]2C=CC[C@@H]2CN31	4797529	MQUABYFVEIZLIJ-GGODKQGSSA-N	343.426	4.446	10	40	EICB	
CCN(CCNC(=S)Nc1c(F)cccc1F)c1ccc(C)cc1	225793584	LXARAUQALIHAIS-UHFFFAOYSA-N	349.450	4.086	10	40	EICB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(C=O)cc3)SC2=S)cc1	5375069	DMRIOBABCVAJLT-YBEGLDIGSA-N	339.441	4.213	10	40	EICB	
CCN(CC)c1ccc(CNC(=O)CCc2ccc(Cl)cc2)cc1	225313101	BGSYIHBYQPPKJJ-UHFFFAOYSA-N	344.886	4.435	10	40	EICB	
Cc1ccccc1NCN1C(=O)/C(=C/c2cccs2)SC1=S	1030531	WFZWGDUJPRAASZ-ZROIWOOFSA-N	346.502	4.327	10	40	EICB	
COc1ccc(O)c([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)c1	4864148	BCUPNFOKCHETJI-OAQYLSRUSA-N	343.386	4.390	10	40	EICB	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(Br)cc1	13774653	DEVLNUKFUVCZDW-WJDWOHSUSA-N	341.208	4.255	10	40	EICB	
O=C1c2ccccc2C(=O)c2c(O)cc(Sc3ccccc3)cc21	66089242	DTKWEEUBCYKYRE-UHFFFAOYSA-N	332.380	4.319	10	40	EICB	
COc1ccc(N2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)cc1	1086524	QSAZCUBNGCJWPS-WJDWOHSUSA-N	341.457	4.409	10	40	EICB	
Cc1ccc(C(=O)N2C(=O)/C(=C\c3ccccc3)SC2=S)cc1	5025297	SSMJYKLXOPUOKX-RVDMUPIBSA-N	339.441	4.037	10	40	EICB	
CCN1c2ccc(/C=C3/SC(=S)NC3=O)cc2[C@H](C)CC1(C)C	208310520	OUSXHOMNUZRQGX-BTAWCLGRSA-N	346.521	4.288	10	40	EICB	
Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c3ccccc23)cc1	357263	QXIAEQPEFYAFEE-UHFFFAOYSA-N	347.823	4.308	10	40	EICB	
CCCCOc1ccc(/C=C2/SC(=S)N(CCC)C2=O)cc1	2674185	RLDLFFLYGGPQTI-NTCAYCPXSA-N	335.494	4.477	10	40	EICB	
CC1=NN(c2cccc(Br)c2)C(=O)/C1=C\c1cccs1	13477266	ZJNOOXIRRDXXPA-ZROIWOOFSA-N	347.237	4.317	10	40	EICB	
Cc1cc2c(cc1/C=C1/SC(=O)NC1=O)[C@@H](C)CC(C)(C)N2C	208233012	GLNDSXWADHLYFX-UXYFDLPDSA-N	330.453	4.041	10	40	EICB	
O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1Cc1ccccc1	1232244	MUUILCQFINAZTE-GDNBJRDFSA-N	329.421	4.227	10	40	EICB	
CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1c(C)ccc2cccnc12	44827009	ZTCYYLHSSILABS-AQTBWJFISA-N	342.402	4.262	10	40	EICB	
O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1c1cccc(O)c1	5178516	GVZJXROGQXXXMJ-RIYZIHGNSA-N	347.848	4.451	10	40	EICB	
CC[C@H]1CCCCN1Cc1c(O)c(Cl)cc2c(C)cc(=O)oc12	19789541	KOBRSAVGLLIUTE-LBPRGKRZSA-N	335.831	4.225	10	40	EICB	
CC(C)c1ccc(/C=C2/SC(=S)N(CN3CCCC3)C2=O)cc1	19830892	HDRVTBATPAAWSM-LFIBNONCSA-N	346.521	4.065	10	40	EICB	
CCN(CC)c1ccc(CNC(=O)CCSc2ccccc2)cc1	223947083	XYPCMOOHBFWBQD-UHFFFAOYSA-N	342.508	4.331	10	40	EICB	
O=c1[nH]c(/C=C/c2ccc(N3CCCCC3)cc2)nc2ccccc12	6909543	BLUYRRXJFNXXRY-JLHYYAGUSA-N	331.419	4.084	10	40	EICB	
O=C(OCc1ccccc1)c1ccc(NCc2cc(O)ccc2O)cc1	1647310	DBMOJKQLJLJRSN-UHFFFAOYSA-N	349.386	4.067	10	40	EICB	
O=Cc1ccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc1	5375104	CCKVUTSYGKEBPQ-DHDCSXOGSA-N	343.404	4.044	10	40	EICB	
CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(=O)O)cc1)N2	4140545	NXZMPSFMEMOYEX-UWVAXJGDSA-N	333.387	4.414	10	40	EICB	
O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1cccnc1)N2	409157247	IDSSJBQQJJBDBJ-HSMVNMDESA-N	327.771	4.470	10	40	EICB	
O=C1/C(=C\c2ccco2)SC(=S)N1c1ccc(F)c(Cl)c1	1411681	DOGTXVZTZDWQHN-KPKJPENVSA-N	339.800	4.478	10	40	EICB	
O=C1N=C(Nc2ccc(Cl)cc2)S/C1=C/c1ccc(O)cc1	109767057	KULAYVLSFHVERO-NTEUORMPSA-N	330.796	4.128	10	40	EICB	
O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(/N=N/c3ccccc3)cc1)[C@H]1C=C[C@H]2C1	105591188	GTYCANGKLPVQAW-VAJDACIZSA-N	343.386	4.414	10	40	EICB	
CCCN1C(=O)/C(=C/c2c(OC)ccc3ccccc23)SC1=S	409332887	SOKGQIGDQWMMIF-WJDWOHSUSA-N	343.473	4.460	10	40	EICB	
COc1ccc(N/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1	618255373	ZJBKQTTVMGYMQR-PTNGSMBKSA-N	342.445	4.013	10	40	EICB	
O=[N+]([O-])c1ccccc1[C@@H]1Nc2c(cccc2[N+](=O)[O-])[C@H]2C=CC[C@@H]21	4123640	CLXVLQZKEKFOOF-NVGCLXPQSA-N	337.335	4.330	10	40	EICB	
N=C1/C(=C/c2c[nH]c3ccccc23)C(=O)N=C2Sc3ccccc3N12	13815254	WHUYVCGYTWPOJK-LWIFSIRZSA-N	344.399	4.037	10	40	EICB	
COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C/c2ccco2)cc1	102034549	QLWHZRLUNVCBKH-XMHGGMMESA-N	344.370	4.123	10	40	EICB	
Cc1ccc(C(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)cc1C	260790557	DDRQDGWRYXBNGF-INIZCTEOSA-N	336.479	4.470	10	40	EICB	
Cc1ccc(Nc2nc3c(s2)C(=O)c2ccccc2C3=O)c(C)c1	408506	LYWOAEKZOHLZQE-UHFFFAOYSA-N	334.400	4.279	10	40	EICB	
Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1	1512467	KAHFGBYYBYIHFU-UHFFFAOYSA-N	348.424	4.058	10	40	EICB	
Cc1ccc(CO)c2c1N[C@H](c1ccc(C(=O)O)cc1)[C@@H]1CC=C[C@H]21	4623664	GMRQDMOWAMYVIM-SQGPQFPESA-N	335.403	4.012	10	40	EICB	
COc1cc(/N=N/c2ccccc2Br)cc(CO)c1O	70461989	WSFMPIVUNYAOQE-WUKNDPDISA-N	337.173	4.071	10	40	EICB	
O=C(O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2	4859608	GHKHTCDNBJXQBZ-JCGVRSQUSA-N	336.347	4.120	10	40	EICB	
CCc1ccc(N2C(=O)/C(=C/c3ccc(O)cc3)SC2=S)cc1	5371221	UNFMQKWGYMKIID-WJDWOHSUSA-N	341.457	4.360	10	40	EICB	
O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2Cc1ccccc1	1576681	CVVPLIBSSHGDNT-UHFFFAOYSA-N	337.378	4.261	10	40	EICB	
Cc1ccc(N2C(=O)/C(=C/c3cccc(O)c3)SC2=S)cc1	2250913	WNCWIHDDDXDYIC-GDNBJRDFSA-N	327.430	4.106	10	40	EICB	
O=C1[C@H](Nc2ccc(Cl)cc2)SC(=S)N1c1ccccc1	9425734	ZESGFUFWOBQDRG-CYBMUJFWSA-N	334.853	4.143	10	40	EICB	
Cc1ccccc1C(=O)N(Cc1ccc(N(C)C)cc1)c1ccccn1	28288080	YKMSUPDQBMNHEK-UHFFFAOYSA-N	345.446	4.303	10	40	EICB	
Cc1cccc(C2=NN(C(=O)c3ccco3)[C@H](c3ccccc3O)C2)c1	97104950	PHVUOGYTBFLQJZ-SFHVURJKSA-N	346.386	4.285	10	40	EICB	
Cc1ccc(N2C(=O)/C(=C\c3cccc(O)c3)SC2=S)cc1C	6131683	MSXSRPAOTCXJRI-MHWRWJLKSA-N	341.457	4.415	10	40	EICB	
Oc1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@H]2c1cccnc1	6721621	DHHNXUPNZRIEQV-RXVVDRJESA-N	343.386	4.030	10	40	EICB	
CN(C)c1ccc(N2C(=O)/C(=C/c3cccs3)SC2=S)cc1	6287476	AFCHMKDARKBNRJ-UVTDQMKNSA-N	346.502	4.220	10	40	EICB	
COc1ccc(-c2cnc(NCc3cc(Cl)ccc3O)n2C)cc1	819124	WTHVYJHYJIUIKA-UHFFFAOYSA-N	343.814	4.067	10	40	EICB	
Oc1ccccc1CN(Cc1ccc(Cl)s1)C[C@H]1CCCO1	96971048	MFOBQNTXNXPVCT-CQSZACIVSA-N	337.872	4.288	10	40	EICB	
C[C@@H](OC(=O)Cc1ccc(N)cc1)c1ccc2c3c(cccc13)CC2	216851594	RWOQTBWKXVDNON-CQSZACIVSA-N	331.415	4.368	10	40	EICB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(C)o3)SC2=S)cc1	5959357	WTRODHQFMRVGPS-XNTDXEJSSA-N	345.445	4.393	10	40	EICB	
S=C(NCc1ccc(N2CCCC2)cc1)Nc1ccccc1Cl	41744896	SHFTZEKVELSCAV-UHFFFAOYSA-N	345.899	4.427	10	40	EICB	
O=C(O)c1ccc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@@H]3C=CC[C@@H]32)cc1	58929358	OXUFAGYAPAHUMX-KEYYUXOJSA-N	336.347	4.120	10	40	EICB	
CCOc1ccccc1N/C=C1\SC(=S)N(C2CCCC2)C1=O	101193023	VYJHSRWTBCRLPV-PTNGSMBKSA-N	348.493	4.142	10	40	EICB	
CCc1cc2c(-c3ccccc3)cc(=O)oc2c(CN2CCCC2)c1O	406879	NZYIMYYVGKUQJI-UHFFFAOYSA-N	349.430	4.324	10	40	EICB	
COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1	58883562	KURZLHUEABWSAU-ATVHPVEESA-N	341.451	4.065	10	40	EICB	
CCN1c2cc(C)c(/C=C3/SC(=O)NC3=O)cc2C(C)=CC1(C)C	208521507	ACAFGUNTHZKVKN-CXUHLZMHSA-N	342.464	4.341	10	40	EICB	
S=C(NCc1ccco1)N(Cc1ccccc1)Cc1ccccc1	2768081	QHLRFTDVYKCTCN-UHFFFAOYSA-N	336.460	4.357	10	40	EICB	
Cc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C)cc1	7128744	FCYDDPDWXFGFQA-UHFFFAOYSA-N	337.448	4.126	10	40	EICB	
Cn1c(-c2ccccc2)cnc1SCc1noc(C(C)(C)C)n1	28014115	XEWZKFRCRKTDPG-UHFFFAOYSA-N	328.441	4.060	10	40	EICB	
Cc1ccc(C)c(N2C(=O)/C(=C\c3cccnc3)SC2=S)c1	35041503	GXJAYYUZCOLTJT-OQLLNIDSSA-N	326.446	4.104	10	40	EICB	
CC(C)C(=O)OCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1	18190673	GKRVAYJZEFZZFN-QZQOTICOSA-N	325.368	4.240	10	40	EICB	
Nc1nn2c(-c3ccccc3)cc(O)nc2c1/N=N/c1ccc(F)cc1	6864567	HAEFZXAKPHHBEM-GHVJWSGMSA-N	348.341	4.239	10	40	EICB	
CCc1ccc(NC(=S)NCc2ccc(N3CCCC3)cc2)cc1	225423460	BWEOHUCWIVSRHZ-UHFFFAOYSA-N	339.508	4.336	10	40	EICB	
COc1cccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)c1	2245452	XDUPZWNOZOBERF-WJDWOHSUSA-N	341.457	4.409	10	40	EICB	
CCCN1/C(=C2\SC(=S)N(CC)C2=O)C=Cc2ccccc21	18155806	JFCBOYPTHCVHSN-PFONDFGASA-N	330.478	4.022	10	40	EICB	
Oc1ccccc1C1=NN2[C@H](C1)c1ccccc1O[C@@H]2c1ccco1	102907263	SFZXNFZLZIAUPV-OXQOHEQNSA-N	332.359	4.228	10	40	EICB	
CN1C(=O)/C(=C/c2cccc(Oc3ccccc3)c2)SC1=S	1446604	FRFHIEUCMCZYBY-PTNGSMBKSA-N	327.430	4.310	10	40	EICB	
CCc1cc(Br)c2oc(Cc3ccc(N)cc3)nc2c1	62719924	IFHTYCGCLPMHMW-UHFFFAOYSA-N	331.213	4.326	10	40	EICB	
Cc1ccc(C)c(CC(=O)NCc2ccc(N3CCCCC3)cc2)c1	44901530	RVOFBDIVYFCLNG-UHFFFAOYSA-N	336.479	4.153	10	40	EICB	
COc1ccc(N2N=C(C)/C(=C\Nc3ccccc3Cl)C2=O)cc1	101112651	XVWRPPQWWVCGNC-RVDMUPIBSA-N	341.798	4.067	10	40	EICB	
CCOC(=O)c1[nH]c2ccc(OC)cc2c1/N=N/N1CCC[C@@H](C)C1	12338915	ZYCFETBRODNEIM-PNMKSJJBSA-N	344.415	4.084	10	40	EICB	
COc1ccc(N2C(=O)/C(=C\C=C\c3ccco3)SC2=S)cc1	27533641	DXEBBWIGHFOWAN-XEXQVEHGSA-N	343.429	4.250	10	40	EICB	
CCOc1cccc(CNCc2cccc(C(F)(F)F)c2)c1O	40477133	MYNZNYYVBLUGNO-UHFFFAOYSA-N	325.330	4.100	10	40	EICB	
O=C1NC(=S)S/C1=C\c1ccc(F)c(Oc2ccccc2)c1	4679497	OWNIOTCFLQSDQO-ZROIWOOFSA-N	331.393	4.107	10	40	EICB	
CN1C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)SC1=S	19862786	FRFHIEUCMCZYBY-RVDMUPIBSA-N	327.430	4.310	10	40	EICB	
CCOc1cccc(CNc2ccc(Br)cc2F)c1O	19907996	JPJRJKXNZVVZBL-UHFFFAOYSA-N	340.192	4.305	10	40	EICB	
COc1ccc(N(Cc2ccccc2)Cc2nc(C3CC3)no2)cc1	29439765	WALIDZODILHKEX-UHFFFAOYSA-N	335.407	4.162	10	40	EICB	
COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1cccnc1)N2	4623404	QOJLCDHPSFFGKY-PBFPGSCMSA-N	340.810	4.348	10	40	EICB	
COc1ccc(OCCN(C)Cc2c(O)ccc3ccccc23)cc1	8036427	HXXFCMMQHBYOJN-UHFFFAOYSA-N	337.419	4.065	10	40	EICB	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccn1-c1ccccc1	14011440	GJZWXBMEJWUJJV-HKWRFOASSA-N	327.387	4.283	10	40	EICB	
CC[C@H]1CCCCN1Cc1cc2c3c(c(=O)oc2c(C)c1O)CCC3	5025379	AWQWVKOTJKRDMZ-HNNXBMFYSA-N	341.451	4.060	10	40	EICB	
Cc1ccc(C)n1N1C(=O)/C(=C/C=C/c2ccccc2)SC1=S	409205978	LFLDDKPWBKKDGW-RKQKHZQPSA-N	340.473	4.199	10	40	EICB	
O=C(O)c1ccccc1[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@@H]2C=CC[C@@H]21	409159645	OKSHOUJNSYMMOZ-FHSNZYRGSA-N	336.347	4.120	10	40	EICB	
Cc1cc(C(=O)N2CCC[C@H]2c2ccccc2)c(C)n1-c1ccccn1	89580058	YHKXQDUXBVIRHT-FQEVSTJZSA-N	345.446	4.466	10	40	EICB	
CC(C)(C)OC(=O)NCCc1ccc(Oc2ccc(N)cc2)cc1	114139535	ZNVKWCYTTYODRH-UHFFFAOYSA-N	328.412	4.128	10	40	EICB	
Cc1ccc(NC2=NC(=O)/C(=C/c3cc(C)c(O)c(C)c3)S2)cc1	5986859	QSRAJSZKFLSAAU-YBEGLDIGSA-N	338.432	4.400	10	40	EICB	
CC(C)Cn1cc(/C=C2\SC(=S)N(C)C2=O)c2ccccc21	409124276	AYKNZZKXMPHSSV-NVNXTCNLSA-N	330.478	4.128	10	40	EICB	
C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccccc2O)SC1=S	9188688	XJEQPEROMWGUBT-IEMQHYRPSA-N	341.457	4.355	10	40	EICB	
Cc1ccc(C)n1-c1ccc(S(=O)(=O)Nc2ccccc2F)cc1	58850415	QAIVVZXZLUVWIY-UHFFFAOYSA-N	344.411	4.034	10	40	EICB	
Cc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)ccc1N1CCCC1	409059809	XPROWHYFWVCOCZ-WJDWOHSUSA-N	330.453	4.040	10	40	EICB	
COc1cccc(N2C(=O)/C(=C/c3cccc(F)c3)SC2=S)c1	2259426	YOTJFADZEQNFRH-DHDCSXOGSA-N	345.420	4.240	10	40	EICB	
CC(=O)c1c2c(n3c1ccc1ccccc13)C(=O)c1ccccc1C2=O	4151290	HMKAZDJFCWCSRO-UHFFFAOYSA-N	339.350	4.071	10	40	EICB	
O=C1c2ccccc2C(=O)c2c1cc(-c1ccccc1)c1nsnc21	4601744	MOLIJBPUJLWPBT-UHFFFAOYSA-N	342.379	4.134	10	40	EICB	
CN(CCCNC(=S)Nc1ccccc1Cl)c1ccccc1	16243513	VKBPDECENGQWOE-UHFFFAOYSA-N	333.888	4.153	10	40	EICB	
O=C1/C(=C/c2cccs2)SC(=S)N1CCOc1ccccc1	9188356	PYUOIGQECRAEPO-KAMYIIQDSA-N	347.486	4.028	10	40	EICB	
O=C(c1ccco1)N1N=C(c2ccsc2)C[C@H]1c1ccccc1O	89813397	CEHVBMAWLKTEPK-HNNXBMFYSA-N	338.388	4.038	10	40	EICB	
O=C1N=C(N2CCCCC2)S/C1=C\c1ccccc1C(F)(F)F	7701125	INKAJMAXIOLQKP-RAXLEYEMSA-N	340.370	4.162	10	40	EICB	
Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccccc2CN(C)C)cc1	31231922	QWRKVJVADLELML-UHFFFAOYSA-N	347.462	4.408	10	40	EICB	
COc1ccccc1/C=C/C=C1/SC(Nc2ccccc2)=NC1=O	57538083	KLKRKDZTDKEAGA-PHAINURESA-N	336.416	4.334	10	40	EICB	
COC(=O)c1ccc([C@@H]2Nc3ccc(OC)cc3[C@H]3C=CC[C@H]32)cc1	4151369	GADQDIUUTSVNQA-QKLQHJQFSA-N	335.403	4.308	10	40	EICB	
COc1ccc(CNc2ccc3c(c2)ncn3C(C)(C)C)c(OC)c1	423353	XVAQHYHGALBJPR-UHFFFAOYSA-N	339.439	4.421	10	40	EICB	
CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC1=S	1106695	KSVLEMPZIMYKPK-JYRVWZFOSA-N	335.837	4.431	10	40	EICB	
COc1ccc(Cl)cc1/N=N/[C@H]1C(=O)N(c2ccccc2)N=C1C	8385504	RAPWJRJXFGUEGK-ZBBYCGENSA-N	342.786	4.224	10	40	EICB	
Cc1ccc(CO)c2c1N[C@H](c1ccc(C(=O)O)cc1)[C@@H]1CC=C[C@@H]21	14944379	GMRQDMOWAMYVIM-MBOZVWFJSA-N	335.403	4.012	10	40	EICB	
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)[C@@H](N=[N+]=[N-])C[C@]34C)[C@@H]1CCC2=O	118935712	HVCPQJTYNXIKBN-IPYOUXTKSA-N	331.460	4.248	10	40	EICB	
O=C1/C(=C/c2ccccc2F)SC(=S)N1Cc1ccccc1	1786969	QMMYIWYMKRDXOW-GDNBJRDFSA-N	329.421	4.227	10	40	EICB	
Cc1cc(C(=O)CN2CCC[C@H](C)C2)c(C)n1-c1ccc(F)cc1	3257459	YROVKHWEZGOCDG-AWEZNQCLSA-N	328.431	4.148	10	40	EICB	
O=C1OC(c2ccccc2)=C/C1=C\c1ccc(Cl)c([N+](=O)[O-])c1	33315815	QEMBMTDVSFODBK-MDWZMJQESA-N	327.723	4.230	10	40	EICB	
Cc1ccc(O)c(NC2=NC(=O)/C(=C\c3c[nH]c4ccccc34)S2)c1	36624781	GNEMXTCTKFTMBP-RQZCQDPDSA-N	349.415	4.264	10	40	EICB	
Nc1n[nH]c(N)c1/N=N/c1ccc(Oc2ccc(Cl)cc2)cc1	101637757	QJSLPTCGUBCDFV-FMQUCBEESA-N	328.763	4.435	10	40	EICB	
Cc1cc2c(cc1/C=C1/SC(=S)NC1=O)[C@H](C)CC(C)(C)N2C	208233592	ZTBRLJRGAHMFGA-OXFWXOROSA-N	346.521	4.206	10	40	EICB	
CCc1cc2c(C)cc(=O)oc2c(CN(CC(C)C)CC(C)C)c1O	137922	MPWWGTKGIAECAW-UHFFFAOYSA-N	345.483	4.483	10	40	EICB	
Cn1cccc1/C=C1\SC(=S)N(c2ccc(Cl)cc2)C1=O	5156733	KQYFBVNRWKFVRW-LCYFTJDESA-N	334.853	4.084	10	40	EICB	
Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N(C)c1ccccc1	15628907	SBBZTXWWKXZKQS-CCEZHUSRSA-N	331.419	4.165	10	40	EICB	
CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1cccc(Cl)c1	95470930	DURUUDVALCSBHT-BOPFTXTBSA-N	325.799	4.367	10	40	EICB	
CCN(CC)c1ccc([C@@H]2C=C(c3ccccc3)Nc3ncnn32)cc1	103450715	NFQSMPTYVQSMHU-FQEVSTJZSA-N	345.450	4.180	10	40	EICB	
CCN(CCNC(=S)Nc1ccc(Cl)cc1)c1ccc(C)cc1	225792572	QFOUMGSONZEOIX-UHFFFAOYSA-N	347.915	4.461	10	40	EICB	
CCOc1ccc2nc3cc(NC(=O)c4ccco4)ccc3c(N)c2c1	4155018	MLGSBPBWNMEMFB-UHFFFAOYSA-N	347.374	4.214	10	40	EICB	
Cc1ccc([C@@H]2N=C(O)c3c(sc4c3CC[C@@H](C)C4)N2)c(O)c1	6426359	PTUFJQVHTKXFLN-QLJPJBMISA-N	328.437	4.316	10	40	EICB	
Cc1cc(C(=O)N2CCc3ccccc32)c(C)n1-c1ccc(F)cc1	33026900	PRVVTWAHPIUCAJ-UHFFFAOYSA-N	334.394	4.436	10	40	EICB	
COc1ccc(/C=C2\C=C(c3ccc(C)cc3C)OC2=O)cc1OC	33301697	NVRYRTPWZPWJCL-MHWRWJLKSA-N	336.387	4.302	10	40	EICB	
COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccccn1)N2	409151263	AUAZTKCYZSUNPY-PEBVRCNWSA-N	340.810	4.348	10	40	EICB	
CSc1cccc(N2C(=O)/C(=C\c3ccncc3)SC2=S)c1	409329463	FVOVLSBSYQXHSX-NTEUORMPSA-N	344.486	4.209	10	40	EICB	
Cc1nn(C(N)=S)c(C)c1/N=N/c1ccc(Cl)cc1Cl	17130870	MDETXPTZPAJAIV-WUKNDPDISA-N	328.228	4.314	10	40	EICB	
CCc1ccc(NC2=NC(=O)/C(=C\c3ccc(F)cc3)S2)cc1	35043290	UONPHSIGAWMDMI-LFIBNONCSA-N	326.396	4.471	10	40	EICB	
O=C1Nc2ccccc2/C1=C\c1c[nH]c2ccc(Br)cc12	12628969	WYWURHNIPAJGSG-VGOFMYFVSA-N	339.192	4.423	10	40	EICB	
O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(Cl)cc1Cl	13547655	IERIUMHYIJOGQO-JYRVWZFOSA-N	341.263	4.450	10	40	EICB	
CCSc1ncc(-c2ccc(Br)cc2)n1CCOC	44085279	CCVANJSBGWDRSI-UHFFFAOYSA-N	341.274	4.071	10	40	EICB	
O=C(CCSc1nccs1)Nc1ccccc1C(F)(F)F	154654329	OMEQJVMEYBSQEP-UHFFFAOYSA-N	332.372	4.283	10	40	EICB	
CCCCN1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S	1835269	RYMBGPKBBJIVDF-GDNBJRDFSA-N	331.462	4.007	10	40	EICB	
Cc1ccc(-c2cnc(SCC(=O)Nc3ccccc3)n2C)cc1	22225569	HQXSPSBUYPZPMU-UHFFFAOYSA-N	337.448	4.126	10	40	EICB	
COc1ccc(/N=N/c2c(C)nc(N)nc2-c2ccccc2)c(OC)c1	100404767	JIDLKYXCIINJHR-WCWDXBQESA-N	349.394	4.467	10	40	EICB	
CCc1ccc(CC(=O)NCc2ccc(N3CCCCC3)cc2)cc1	222783671	BMSZBMNUJNHDPV-UHFFFAOYSA-N	336.479	4.098	10	40	EICB	
Oc1c([C@@H](c2ccccn2)N2CCCC2)cc(Cl)c2cccnc12	19879777	QLPZJTVSRZEZHY-SFHVURJKSA-N	339.826	4.174	10	40	EICB	
CC1CCN([C@H](c2ccncc2)c2ccc3cccnc3c2O)CC1	20192177	GPBNJFBTIOIRGK-HXUWFJFHSA-N	333.435	4.157	10	40	EICB	
COc1cccc(NC(=O)NCc2ccc(N3CCCCC3)cc2)c1	62649055	UFYXMTWBBDCCTQ-UHFFFAOYSA-N	339.439	4.007	10	40	EICB	
C[C@@H](NC(=O)Cc1ccccc1F)c1ccc(N2CCCCC2)cc1	225448942	GEYIHXCHIWICEG-MRXNPFEDSA-N	340.442	4.236	10	40	EICB	
Oc1cc2c(cc1[C@H](c1ccc(Cl)cc1)N1CCCCC1)OCO2	6512626	KDSLFUPFGAIYOZ-IBGZPJMESA-N	345.826	4.350	10	40	EICB	
O=C1c2ccccc2C(=O)C1c1cc(O)nc2c1ccc1ccccc12	100311557	ZXIOQIBZDGWGFJ-UHFFFAOYSA-N	339.350	4.256	10	40	EICB	
CCN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2C)SC1=S	409377710	JBOQMJBKLYGKFO-VBKFSLOCSA-N	346.521	4.206	10	40	EICB	
COc1ccc(OC)c(/C=C2\C=C(c3cc(C)ccc3C)OC2=O)c1	409055373	IDVWIDVMBYFVFT-MHWRWJLKSA-N	336.387	4.302	10	40	EICB	
COCC[n+]1c(-c2ccc(C)cc2)csc1Nc1ccccc1	2676739	DFWDCHUBKNBNAF-UHFFFAOYSA-O	325.457	4.401	10	40	EICB	
Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(O)cc3)SC2=S)c1	35038831	FBXVOKORLFBOMY-MHWRWJLKSA-N	341.457	4.415	10	40	EICB	
O=C(O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])N2	4859610	GHKHTCDNBJXQBZ-ZJNRKIDTSA-N	336.347	4.120	10	40	EICB	
CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCc1cccs1	103918001	STETYLRNQWJNEV-JXAWBTAJSA-N	339.464	4.315	10	40	EICB	
O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1Nc1ccccc1	970072	MVULTNIKNLQQNI-UVTDQMKNSA-N	330.409	4.054	10	40	EICB	
Nc1c(/C=C/c2ccccc2)ccc2c1C(=O)c1ccccc1C2=O	13403259	PXKGYNFOQKCZPM-ZHACJKMWSA-N	325.367	4.215	10	40	EICB	
FC(F)(F)c1cccnc1N1CC=C(c2c[nH]c3ncccc23)CC1	47510436	QUHJCZRIIQUHCE-UHFFFAOYSA-N	344.340	4.270	10	40	EICB	
COc1ccc([C@H]2CC(c3ccc4ccccc4c3O)=NN2)cc1OC	120745	VKFDUDUPVUIVOZ-QGZVFWFLSA-N	348.402	4.001	10	40	EICB	
COc1cc([N+](=O)[O-])cc2c1N[C@H]([C@H]1CC=CCC1)[C@H]1CC=C[C@H]21	4132303	PSPLPPYNGLDIRF-ADOMEBDSSA-N	326.396	4.414	10	40	EICB	
CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(F)cc2)cc1	17743777	GIFFPTKHKGXPEP-UHFFFAOYSA-N	329.419	4.336	10	40	EICB	
O=C1/C(=C/c2cccc(O)c2)C(c2ccccc2)=NN1c1ccccc1	409076905	CHMWCHXRXSBWKV-HMMYKYKNSA-N	340.382	4.227	10	40	EICB	
Oc1ccc(Br)cc1CNc1cnc2ccccc2c1	520443	NUURZVATAGGICJ-UHFFFAOYSA-N	329.197	4.315	10	40	EICB	
COc1cccc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)c1	33706540	XDUPZWNOZOBERF-LFIBNONCSA-N	341.457	4.409	10	40	EICB	
CSc1cccc(N2C(=O)/C(=C/c3ccccn3)SC2=S)c1	409348638	OABMXIFKRORYGE-ZROIWOOFSA-N	344.486	4.209	10	40	EICB	
Cc1cccc(S(=O)(=O)Nc2cccc3c2C(=O)c2ccccc2-3)c1	3997647	DJIDXEXAFYBXBK-UHFFFAOYSA-N	349.411	4.007	10	40	EICB	
CC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])N2	4309893	VNKSNXSXZRIHGM-AUSJPIAWSA-N	349.390	4.380	10	40	EICB	
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1ccc(O)cc1C	5337653	WRPJVIMEYOXOHQ-WQRHYEAKSA-N	335.407	4.036	10	40	EICB	
Cc1ccc(CN2C(=O)/C(=C/c3cccs3)SC2=S)cc1	409056153	KXTDRRKEKYYUFP-ZROIWOOFSA-N	331.487	4.458	10	40	EICB	
CC(=O)N(Cc1ccccc1O)c1cnccc1Oc1ccccc1	95913300	IJYHHRVIZVDACH-UHFFFAOYSA-N	334.375	4.133	10	40	EICB	in-vitro
Cc1nc2cc(NC(=O)/C=C/c3ccc(N(C)C)cc3)ccc2s1	316609	IIMUFJRMQQGOBG-IZZDOVSWSA-N	337.448	4.323	10	40	EICB	
COc1ccc(-n2c(C)cc(C(=O)N3CCCCCC3)c2C)cc1	27026246	BCXSKRJFBYQPKA-UHFFFAOYSA-N	326.440	4.119	10	40	EICB	
Cc1nc(-c2cccc(NC(=S)NCc3ccccn3)c2)cs1	225180182	HCUZHXGDMRRHBN-UHFFFAOYSA-N	340.477	4.000	10	40	EICB	
O=C(O)c1ccccc1[C@@H]1Nc2c(F)cc(F)cc2[C@H]2C=CC[C@H]21	409158548	XPEVSAHRIVMQFO-XWCIJXRUSA-N	327.330	4.490	10	40	EICB	
CCCN(/N=N\c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	4714439	HBFUUCKCYKFCLX-MSUUIHNZSA-N	329.316	4.418	10	40	EICB	
C[C@H](c1ccccc1)N1C(=O)/C(=C/c2cccnc2)SC1=S	13804263	GZRCPYBYMUWKRA-DYTQJMLRSA-N	326.446	4.044	10	40	EICB	
Cc1ccc(N(C)CCNC(=S)Nc2ccc(C)cc2C)cc1	225794849	AGZJCRGBBDIWFZ-UHFFFAOYSA-N	327.497	4.035	10	40	EICB	
COc1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(F)cc2)cc1	408940709	CVHFNMLHQZCWIE-UHFFFAOYSA-N	339.366	4.309	10	40	EICB	
CCOc1ccc(NC2=NC(=O)/C(=C/C=C/c3ccco3)S2)cc1	5374546	MDRCSWKOPPMQIY-JLJGJNDSSA-N	340.404	4.317	10	40	EICB	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1cccc(C)c1	15134087	GLTYDQNKYCMVJK-BOPFTXTBSA-N	325.799	4.367	10	40	EICB	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccccc1OC(F)F	48249167	GENWIEUOTSTPPQ-UHFFFAOYSA-N	348.393	4.016	10	40	EICB	
COc1cccc(-c2c(C(C)=O)c(C)nc3c2C(=O)c2ccccc2-3)c1	486165	SBCVTTKZPDJLAJ-UHFFFAOYSA-N	343.382	4.480	10	40	EICB	biogenic
O=C1c2ccccc2C(=O)C1(Nc1ccccc1F)c1ccccc1	5515819	CXPYDZWFHILHDV-UHFFFAOYSA-N	331.346	4.212	10	40	EICB	
CCN(CC)c1ccc(CNC(=O)CCc2ccc(C)c(C)c2)cc1	223219427	QWQGBILWLGRAKR-UHFFFAOYSA-N	338.495	4.399	10	40	EICB	
Cc1ccc(S(=O)(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1	400102	WCVBYKFARFSPRI-UHFFFAOYSA-N	325.433	4.235	10	40	EICB	
CC(=O)c1cccc(N2C(=O)/C(=C/c3cccs3)SC2=S)c1	2702103	HMXKTLDLHVPHME-ZROIWOOFSA-N	345.470	4.357	10	40	EICB	
Cc1ccc(NC(=S)NNc2ccc(F)cc2F)cc1Cl	3360687	FYRMBXLBDRDODU-UHFFFAOYSA-N	327.787	4.240	10	40	EICB	
Cc1ccc(/C=C/C(=O)NCc2ccc(N3CCCCC3)cc2)cc1	10113099	BEYITULFOAVEQK-SDNWHVSQSA-N	334.463	4.315	10	40	EICB	
CCOc1c(/N=N/c2ccccc2OC)c(C)nn1C(=S)S	17142282	JOJUHZIKAMVENH-FOCLMDBBSA-N	336.442	4.077	10	40	EICB	
COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1C	408901862	IBBJLROTNIKOIW-LFIBNONCSA-N	341.457	4.409	10	40	EICB	
CC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(C)o3)SC2=S)c1	2702102	QQVHHCVLIZVLEV-DHDCSXOGSA-N	343.429	4.196	10	40	EICB	
Cc1ccc(C[C@@H]2SC(=S)N(c3ccccc3)C2=O)cc1C	3416180	HDWKANVNGASVDD-INIZCTEOSA-N	327.474	4.279	10	40	EICB	
CN(C)c1ccc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1	5230048	FJDMKDRRQPSEFQ-RGEXLXHISA-N	348.446	4.395	10	40	EICB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccccn3)SC2=S)c1	96930798	AZSZIERGLDEIGM-GDNBJRDFSA-N	326.446	4.104	10	40	EICB	
c1ccc(C2=N[C@@H]3Nc4ccccc4N[C@H]3N=C2c2ccccc2)cc1	1870430	QZJQOGGGPGHEAQ-VXKWHMMOSA-N	338.414	4.168	10	40	EICB	
COc1ccc([C@@H](c2ccc3cccnc3c2O)N2CCCC2)cc1	4178938	AXDPHPBMRZQULH-FQEVSTJZSA-N	334.419	4.134	10	40	EICB	
CN(C1=NC(=O)/C(=C/c2c[nH]c3ccccc23)S1)c1ccccc1	5374516	WFVPKGONKHKYLL-BOPFTXTBSA-N	333.416	4.275	10	40	EICB	
CCCCc1ccc(NC2=NC(=O)/C(=C\c3ccc[nH]3)S2)cc1	31929342	TXDKHMQPNZUKOV-FOWTUZBSSA-N	325.437	4.440	10	40	EICB	
CCN(CC)CCOC(=O)c1ccc(/N=N\c2ccc(O)cc2)cc1	104345672	ADUOESXTMZGRDJ-MRCUWXFGSA-N	341.411	4.306	10	40	EICB	
Nc1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1	226238607	YKQIHVZMXWYPMX-UHFFFAOYSA-N	347.443	4.063	10	40	EICB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCCC2)c(C)c1	1101023	AXDJHUQXUIUHSV-HMMYKYKNSA-N	345.446	4.401	10	40	EICB	
Nc1nn(-c2ccccc2)c(N)c1/N=N/c1cccc(C(F)(F)F)c1	4666065	XSPZFEOWHQYMHX-GHVJWSGMSA-N	346.316	4.471	10	40	EICB	
COc1ccc(CN(C)Cc2cc(C(C)C)c(C)cc2O)cc1OC	10026471	KHCNKMOFPZGNOR-UHFFFAOYSA-N	343.467	4.473	10	40	EICB	
Cc1oc2c(CN3CCCC3)c(O)ccc2c(=O)c1-c1ccccc1	20358169	NDIPHDMPQHERIW-UHFFFAOYSA-N	335.403	4.070	10	40	EICB	biogenic
CC1=NN(c2ccccc2)C(=O)[C@H]1Sc1nc2ccccc2s1	16607875	MSZZBCUCPJAOIO-HNNXBMFYSA-N	339.445	4.180	10	40	EICB	
CCc1ccc(N/C(C)=C2\C(=O)N(c3ccc(OC)cc3)N=C2C)cc1	112114192	LGYDNTKRUDQEPL-ZHZULCJRSA-N	349.434	4.366	10	40	EICB	
CCN1C(=O)/C(=C/c2cccn2-c2ccccc2C)SC1=S	6418187	SWKXKYHIDIVYTQ-PTNGSMBKSA-N	328.462	4.007	10	40	EICB	
O=C(NCc1ccc(N2CCCCC2)cc1)c1ccccc1Cl	13646444	TZABVDAZVUITSU-UHFFFAOYSA-N	328.843	4.260	10	40	EICB	
O=C(NCCCSc1nccs1)Nc1ccc(F)cc1Cl	75109145	HQQQQSOHLGQQFY-UHFFFAOYSA-N	345.852	4.240	10	40	EICB	
CCO[C@H](C)c1nc(C)c(C(=O)N[C@@H](CC)c2ccccc2O)s1	77006165	APZXWCHFJXIJNO-OCCSQVGLSA-N	348.468	4.136	10	40	EICB	
CCc1cc(=O)oc2c(C)c(O)c(CN3CCCC[C@@H]3CC)cc12	2338103	GQKQPVJSXMKLEX-INIZCTEOSA-N	329.440	4.134	10	40	EICB	
Oc1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@@H]2c1cccnc1	102907244	DHHNXUPNZRIEQV-GHTZIAJQSA-N	343.386	4.030	10	40	EICB	
O=C(O)c1ccc([C@H]2Nc3c(F)cc(F)cc3[C@H]3C=CC[C@H]32)cc1	616833	DQSILZGBKAYAAI-JJRVBVJISA-N	327.330	4.490	10	40	EICB	
Cc1ccc(Nc2ccc(N)c3c2C(=O)c2ccccc2C3=O)cc1	4797980	XATMSWLFSJLJTP-UHFFFAOYSA-N	328.371	4.096	10	40	EICB	
CCOc1ccc(N2C(=O)/C(=C\c3ccccc3)SC2=S)cc1	5953631	RNSNPXNFCHTVML-FOWTUZBSSA-N	341.457	4.491	10	40	EICB	
CCCCc1ccc(NC2=NC(=O)/C(=C/c3cccn3C)S2)cc1	6569834	LAEIIYMDOWWHEF-LGMDPLHJSA-N	339.464	4.450	10	40	EICB	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCc2ccccn2)c1	10052238	FXEMXPFLTUSTQE-UHFFFAOYSA-N	339.826	4.073	10	40	EICB	
CCCn1c(NC(=O)Nc2cccc(C(C)=O)c2)nc2ccccc21	27923610	SKYHDSWBPWSIBH-UHFFFAOYSA-N	336.395	4.293	10	40	EICB	
Cc1ccc(CN(CCCn2ccnc2)Cc2ccccc2O)s1	43277866	JZUHOEVAXUHDMJ-UHFFFAOYSA-N	341.480	4.051	10	40	EICB	
C[C@@H](NC(=S)Nc1cccnc1)c1ccc(N2CCCCC2)cc1	225666728	LEDVUGIRUANURH-OAHLLOKOSA-N	340.496	4.120	10	40	EICB	
O=C(O)c1ccc([C@H]2Nc3c(F)cc(F)cc3[C@H]3C=CC[C@@H]32)cc1	4223042	DQSILZGBKAYAAI-GRDNDAEWSA-N	327.330	4.490	10	40	EICB	
COc1cccc(/C=C2\C=C(c3ccc(C)cc3C)OC2=O)c1OC	33297643	XLFOOHZFYAVOQI-LFIBNONCSA-N	336.387	4.302	10	40	EICB	
Cc1ccccc1NC(=O)C(=O)c1cc(C)n(-c2ccccc2)c1C	6780848	SNYSDJMWKBUMBJ-UHFFFAOYSA-N	332.403	4.224	10	40	EICB	
O=S(=O)(O)c1ccc(/N=N/c2ccccc2)c2c(O)cccc12	13403603	BDGXTLNETVWTNN-ISLYRVAYSA-N	328.349	4.208	10	40	EICB	
CC(=O)Nc1ccc(OC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1	58382461	PHNDNAYSTSWQBK-UHFFFAOYSA-N	348.402	4.272	10	40	EICB	
CCN(CC)c1ccc(CNC(=O)c2ccccc2OC(C)C)cc1	222987467	NGNBMLFDHGZCEP-UHFFFAOYSA-N	340.467	4.250	10	40	EICB	
O=C(O)CCc1ccc(-c2ccc(F)cc2)n1-c1cccc(O)c1	56320	WSPPGUWZZQSSHS-UHFFFAOYSA-N	325.339	4.006	10	40	EICB	
CCOC(=O)c1c(NCc2ccc(C)cc2O)sc2c1CCC2	348530	CXCIJOGJMMUFJB-UHFFFAOYSA-N	331.437	4.040	10	40	EICB	
CCN(CC)c1ccc([C@@H]2NC(=O)c3c(sc(C)c3C)N2)cc1	4062878	MRYXGOANIYHZNH-MRXNPFEDSA-N	329.469	4.065	10	40	EICB	
COc1cc2c(cc1NCc1nc(C3CC3)n[nH]1)oc1ccccc12	97164978	XBMMZJOOQONUKG-UHFFFAOYSA-N	334.379	4.202	10	40	EICB	
CN(C)c1ccc(-c2nc3cc(NC(=O)c4ccco4)ccc3o2)cc1	177906	GSPXGMBCBXBKHN-UHFFFAOYSA-N	347.374	4.406	10	40	EICB	
Cc1cc(/C=C2\SC(Nc3ccc(F)cc3)=NC2=O)cc(C)c1O	8238669	AVYSFZNJYKITRI-DHDCSXOGSA-N	342.395	4.231	10	40	EICB	
COc1ccccc1/C=C1\SC(=S)N(c2ccccc2F)C1=O	13714381	WIDXHXGLSRTZTG-GDNBJRDFSA-N	345.420	4.240	10	40	EICB	
COc1cccc(N2C(=O)/C(=C\C=C\c3ccco3)SC2=S)c1	27533638	YCEYYERGUKZCSY-AYRRQIOMSA-N	343.429	4.250	10	40	EICB	
CC[C@@H](C)N1C(=O)S/C(=C/C=C/c2ccc(N(C)C)cc2)C1=O	409012055	IPPCVNCYFKBVNX-KYHKNSCHSA-N	330.453	4.144	10	40	EICB	
O=C(O)c1ccc([N+](=O)[O-])c2c1N[C@@H]([C@H]1CC=CCC1)[C@H]1CC=C[C@H]21	4718534	AMXXQAQJHXLUKO-MRHIQRDNSA-N	340.379	4.103	10	40	EICB	
CN1C(=O)S/C(=C\c2cc(/N=N/c3ccccc3)ccc2O)C1=O	408817224	MYWBMAYUXLHZOT-PXJVAEEZSA-N	339.376	4.474	10	40	EICB	
COc1ccc(Cl)cc1NCc1cc(Br)ccc1O	44836261	XIKYCJYRKNAKKC-UHFFFAOYSA-N	342.620	4.429	10	40	EICB	
COc1ccc(N2C(=O)/C(=C\c3ccc(C)o3)SC2=S)cc1	1063112	RQTKNVWEMKEBAM-NTEUORMPSA-N	331.418	4.002	10	40	EICB	
Cc1ccccc1NC1=NC(=O)/C(=C/c2ccc(N(C)C)cc2)S1	11640043	GONCPBAKNYRGMM-ATVHPVEESA-N	337.448	4.143	10	40	EICB	
CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccccc1	103916999	NFLXSRQWYDLSLD-ATVHPVEESA-N	348.431	4.405	10	40	EICB	
O=C(O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1cccnc1)N2	409156147	SETRVZNZKPJLKW-BFQNTYOBSA-N	326.783	4.260	10	40	EICB	
CCOc1ccc(OCC)c(NCc2cccc(OCC)c2O)c1	44836377	ZATOABXUBXRFQO-UHFFFAOYSA-N	331.412	4.200	10	40	EICB	
CCN(CC)c1ccc(Cc2ccc(N(CC)CC)cc2O)c(O)c1	1669820	HQXMQJIISUSHBT-UHFFFAOYSA-N	342.483	4.381	10	40	EICB	
CC(C)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S	2697657	FEYZQHOOFUPBBX-XFFZJAGNSA-N	342.283	4.059	10	40	EICB	
O=C1N=C(Nc2ccc(O)cc2)S/C1=C/c1ccc(Cl)cc1	16995225	IRXTVNABOZORQL-NTEUORMPSA-N	330.796	4.128	10	40	EICB	
CCc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc(N(C)C)cc3)C2)cc1	58196720	UTDBPRJPWVZQEI-OAQYLSRUSA-N	335.451	4.013	10	40	EICB	
CCCCN1C(=O)/C(=C/c2ccc3c(c2)CCCN3C)SC1=S	27023077	FBXMNXUSQFYRJA-VBKFSLOCSA-N	346.521	4.070	10	40	EICB	
CC(C)Oc1ccc2ccccc2c1/C=C1\SC(=S)N(C)C1=O	409331438	MZFGILOBUZCCPS-YBEGLDIGSA-N	343.473	4.458	10	40	EICB	
O=C1c2ccccc2C(=O)c2sc(Nc3ccc(Cl)cc3)nc21	408320	REOQQQOHISDZHG-UHFFFAOYSA-N	340.791	4.316	10	40	EICB	
COc1ccccc1N1C(=O)/C(=C/c2ccccc2)SC1=S	1009737	VNNHFTNMQITAFU-PTNGSMBKSA-N	327.430	4.101	10	40	EICB	
COC(=O)c1ccccc1Nc1c(-c2ccco2)nc2ccc(C)cn12	35622045	DYOLIXRFZJIVOD-UHFFFAOYSA-N	347.374	4.433	10	40	EICB	
CCN1c2ccc(/C=C3/SC(=O)N(C)C3=O)cc2[C@H](C)CC1(C)C	208310484	XIHVRHBVKYSLCA-HMHNVIDESA-N	344.480	4.465	10	40	EICB	
Cc1cccc(N2C(=O)/C(=C\c3ccc(O)cc3)SC2=S)c1	5201190	JWKGSAKZSGTHLQ-XNTDXEJSSA-N	327.430	4.106	10	40	EICB	
Nc1c(/C=C\c2ccccc2)ccc2c1C(=O)c1ccccc1C2=O	13403254	PXKGYNFOQKCZPM-KHPPLWFESA-N	325.367	4.215	10	40	EICB	
COc1ccc(OC)c(/N=N/c2c(C)nc(N)nc2-c2ccccc2)c1	16951215	MTSDLGOIBDIAGH-WCWDXBQESA-N	349.394	4.467	10	40	EICB	
Oc1cccc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)c1O	52683218	WXWNTQODDNIGHZ-FQEVSTJZSA-N	329.359	4.087	10	40	EICB	
Cc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=O)NC2=O)c1C	408812178	BSCYTSUTXUXSAB-DHDCSXOGSA-N	326.421	4.035	10	40	EICB	
O=C1OC(c2cccs2)=C/C1=C\c1cccc(Br)c1	409052034	POTAEASKTBANSO-YRNVUSSQSA-N	333.206	4.492	10	40	EICB	
CCc1cc(=O)oc2c(CN[C@@H]3CCCc4ccccc43)c(O)ccc12	6764509	HOYPJKJAXWWSKK-LJQANCHMSA-N	349.430	4.228	10	40	EICB	
O=c1[nH]c(-c2ccccc2/N=N/N2CCCCC2)nc2ccccc12	17022058	MZBBNHCLLWAZOV-GHVJWSGMSA-N	333.395	4.075	10	40	EICB	
COC(=O)c1ccccc1Nc1c(-c2ccco2)nc2ccccn12	35616070	LWNJPCCPWCFUKM-UHFFFAOYSA-N	333.347	4.125	10	40	EICB	
O=S(=O)(O)c1ccc2ccc(O)c(/N=N\c3ccccc3)c2c1	104366306	UKUDENMHDUNDBF-ZCXUNETKSA-N	328.349	4.208	10	40	EICB	
Cc1cc(C)n2nc(N)c(/N=N/c3ccc(Br)cc3)c2n1	5379392	JSYWXIDZKZPLHL-VHEBQXMUSA-N	345.204	4.106	10	40	EICB	
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccccc1C	95471585	SONZHPLDGINANO-WJDWOHSUSA-N	325.799	4.367	10	40	EICB	
O=C1N=C(N2CCCCC2)S/C1=C/c1ccc(Cl)cc1Cl	63772	IERIUMHYIJOGQO-MDWZMJQESA-N	341.263	4.450	10	40	EICB	
CN1C(=O)/C(=C/c2ccc(SCc3ccccc3)o2)SC1=S	5028566	WBXQEQIRSIGDAJ-LCYFTJDESA-N	347.486	4.403	10	40	EICB	
CN(C)c1ccc(CNC(=O)Cc2ccc(-c3ccccc3)cc2)cc1	18215110	LGLVXUHUZAMZQJ-UHFFFAOYSA-N	344.458	4.279	10	40	EICB	
CCCOC(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)O)c2)cc1	70462707	WASLBQCZIXYCEM-VHEBQXMUSA-N	328.324	4.073	10	40	EICB	
C[C@@H](NC(=S)Nc1ccc(F)cc1)c1ccc(N2CCCC2)cc1	225694509	QWZJDBNJFQALFL-CQSZACIVSA-N	343.471	4.474	10	40	EICB	
Cc1ccc(N2C(=O)/C(=C/c3ccccc3O)SC2=S)c(C)c1	5744628	XOYFZNLGPVVIOV-YBEGLDIGSA-N	341.457	4.415	10	40	EICB	
Cc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1	6804305	OJAVBXRKYZJWEF-UHFFFAOYSA-N	348.446	4.497	10	40	EICB	
Cc1ccc2nc(-c3ccco3)c(Nc3ccc4c(c3)OCCO4)n2c1	101316681	PLKUHMAFXYMQDZ-UHFFFAOYSA-N	347.374	4.418	10	40	EICB	
CCOC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CCCC3	496086	NQYDDWBLYFABGE-UHFFFAOYSA-N	342.420	4.194	10	40	EICB	
Cc1sc(NS(=O)(=O)c2ccc(F)cc2)nc1-c1ccccc1	5924707	CSACLLYPJVIXFT-UHFFFAOYSA-N	348.424	4.058	10	40	EICB	
COC(=O)c1ccc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1	7468514	FFDLQIFVBBBDMA-UHFFFAOYSA-N	348.402	4.133	10	40	EICB	
Brc1ccc(/N=N/c2ccc(Br)cn2)nc1	101660949	BJKPIZCVWGQFAF-FOCLMDBBSA-N	341.994	4.417	10	40	EICB	
Cc1ccc(NC(=S)NCc2ccc(N3CCCCC3)cc2)cc1	225415042	AHRKVYSORIQFIJ-UHFFFAOYSA-N	339.508	4.472	10	40	EICB	
COc1cc(/N=N/c2ccc(Br)cc2)cc(C=O)c1O	100099750	RLOPGVGJLPHKFW-WUKNDPDISA-N	335.157	4.391	10	40	EICB	
COc1cc([N+](=O)[O-])cc2c1N[C@H]([C@@H]1CC=CCC1)[C@H]1CC=C[C@H]21	101151640	PSPLPPYNGLDIRF-OYUZRVEBSA-N	326.396	4.414	10	40	EICB	
O=S(=O)(O)c1cc(/N=N\c2ccccc2)c(O)c2ccccc12	104366696	DAISYBLBVLGOIY-ZCXUNETKSA-N	328.349	4.208	10	40	EICB	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cc1ccc(F)cc1	39995681	SIRVWXNJBCPPKR-UHFFFAOYSA-N	340.442	4.017	10	40	EICB	
COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1	408969747	SZLIMCFZJIYTCP-PTNGSMBKSA-N	346.308	4.044	10	40	EICB	
CCc1ccc(C2=C/C(=C/c3ccc(C(=O)OC)cc3)C(=O)O2)cc1	4832528	PQSBHKLTZOHJCJ-PDGQHHTCSA-N	334.371	4.017	10	40	EICB	
O=[N+]([O-])c1ccc([C@@H]2Nc3cc([N+](=O)[O-])ccc3[C@H]3C=CC[C@@H]32)cc1	5394877	HVSGYSDFVTWWQQ-HFTRVMKXSA-N	337.335	4.330	10	40	EICB	
O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(/N=N/c2ccccc2)cc1	105591185	GTYCANGKLPVQAW-FXCLZUPPSA-N	343.386	4.414	10	40	EICB	
COc1ccccc1/C=C1\C(=O)N(c2ccccc2)N=C1C(F)(F)F	408971026	FXQRBKFNNABATO-KAMYIIQDSA-N	346.308	4.044	10	40	EICB	
CCCCCCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S	2666817	LLXJKYOSBDPJCO-QINSGFPZSA-N	335.494	4.477	10	40	EICB	
CN(C)c1ccc([C@H]2CC(c3ccc4ccccc4c3O)=NN2)cc1	5849390	JVMLUKSHUAKZLI-LJQANCHMSA-N	331.419	4.050	10	40	EICB	
COC(=O)c1ccc(/C=C2/C=C(c3ccc(Cl)cc3)OC2=O)cc1	15013353	KZWLVTOIITXNRI-GDNBJRDFSA-N	340.762	4.108	10	40	EICB	
CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1cccc(C)n1	103917449	ZYNOKPBRPPKPIV-CYVLTUHYSA-N	334.423	4.279	10	40	EICB	
Cc1ccc(C(=O)N2C(=O)/C(=C/c3ccccc3)SC2=S)cc1	2335519	SSMJYKLXOPUOKX-PTNGSMBKSA-N	339.441	4.037	10	40	EICB	
Cc1ccc(N2C(=O)/C(=C/c3cccnc3)SC2=S)c(C)c1	2337236	WMWMTAKYRJGWJF-DHDCSXOGSA-N	326.446	4.104	10	40	EICB	
O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(Cl)cc1Cl	58865831	HVHDAMAZVPERSC-UHFFFAOYSA-N	341.190	4.137	10	40	EICB	
O=C1/C(=C\c2ccccc2)SC(=S)N1CNc1ccccc1F	1435234	PABFJWBDDSNTST-XNTDXEJSSA-N	344.436	4.097	10	40	EICB	
Cc1c(-c2ccccc2)c(=O)oc2c(CN3CCCC3)c(O)ccc12	4353871	ZPJPRYUILNIJDN-UHFFFAOYSA-N	335.403	4.070	10	40	EICB	aggregator,biogenic
Cc1cccnc1NC(=S)N[C@H](C)c1ccc(N2CCCC2)cc1	225696889	VBLNBVQTFFNILQ-OAHLLOKOSA-N	340.496	4.038	10	40	EICB	
Cc1ccc(/N=N/[C@@H](C2=NC(=O)CS2)c2nc3ccccc3[nH]2)cc1	17218250	MOOTYKWSLGHWLW-PXFSWQRTSA-N	349.419	4.368	10	40	EICB	
N[C@H](c1ccc(Br)cc1)c1c(O)ccc2ccccc12	32098973	LHJGZPQOUAARIZ-QGZVFWFLSA-N	328.209	4.356	10	40	EICB	
CN(C)c1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1	55371833	JOYWVNFXPQUIAZ-FOWTUZBSSA-N	340.473	4.158	10	40	EICB	
CCN1C(=O)/C(=C/c2cccn2-c2ccc(Cl)cc2)SC1=S	409374994	CSINJSUWUNNJGB-UVTDQMKNSA-N	348.880	4.352	10	40	EICB	
CCOc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1	62225743	FGDXLCKRHLPPLX-UHFFFAOYSA-N	338.451	4.006	10	40	EICB	
CCC(=O)N[C@@H](c1cccs1)c1cc(Cl)c2cccnc2c1O	319163	YTYAAHOPRAVKJV-OAHLLOKOSA-N	346.839	4.271	10	40	EICB	
O=C1/C(=C\c2ccccc2)N=C(c2ccccc2)NN1c1ccccc1	6474424	VGXSTUAMDJLTCR-CAPFRKAQSA-N	339.398	4.026	10	40	EICB	
Oc1ccc2c(-c3ccc(F)cc3)noc2c1CN1CCCCC1	41511093	PPIVGNMWQPPTAH-UHFFFAOYSA-N	326.371	4.325	10	40	EICB	
CCOc1cccc(CNc2cc(OC)c(Cl)cc2OC)c1O	44836436	ZMTXAZXRADAPGD-UHFFFAOYSA-N	337.803	4.074	10	40	EICB	
Cc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=O)N(C)C2=O)c1C	16362409	RCTQUZWDMFEDPY-YBEGLDIGSA-N	340.448	4.377	10	40	EICB	
CCN1C(=O)S/C(=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)C1=O	208219835	UVRFPUPYMAYENG-KPENOIPVSA-N	344.480	4.465	10	40	EICB	
Cc1ccc(C)n1-c1ncccc1[C@H]1CCCN1C(=O)c1ccccc1	72216830	SWPGRHSPXJPATI-HXUWFJFHSA-N	345.446	4.466	10	40	EICB	
CCOC(=O)c1[nH]c2ccc(F)cc2c1/N=N/N1CCC[C@@H](C)C1	2310496	HNRCFHAUJIZLSQ-PQOIGDABSA-N	332.379	4.214	10	40	EICB	
Nc1ccc(Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1	784495	SUUGUKZPDTXTBW-UHFFFAOYSA-N	335.388	4.242	10	40	EICB	
COc1ccc(OC)c(CNc2ccc3c(c2)ncn3C(C)(C)C)c1	9526205	WNSFRJHXEZMUQD-UHFFFAOYSA-N	339.439	4.421	10	40	EICB	
Oc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccncc2)cc1	10215388	PULUYYLFTLPVFL-FPOVZHCZSA-N	343.386	4.030	10	40	EICB	
Cc1cccnc1NC(=S)N[C@@H](C)c1ccc(N2CCCC2)cc1	225696865	VBLNBVQTFFNILQ-HNNXBMFYSA-N	340.496	4.038	10	40	EICB	
CC(/C=C1\SC(Nc2cccc(O)c2)=NC1=O)=C\c1ccccc1	5490012	CCUBGMMABMMUAD-NEOBQEPSSA-N	336.416	4.421	10	40	EICB	
Cc1ccc(-c2ccc(/C=C3\SC(=S)NC3=O)o2)cc1Cl	13894731	BPMQJIVJFYOCHP-QPEQYQDCSA-N	335.837	4.397	10	40	EICB	
CCC(CC)C(=O)N1N=C(c2ccco2)C[C@@H]1c1ccccc1O	95945155	XEIZLXNMBWEWHR-MRXNPFEDSA-N	326.396	4.099	10	40	EICB	
O=C(O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3=O)cc1	141245	QWPPXQPXTRDTEA-UHFFFAOYSA-N	331.371	4.362	10	40	EICB	
Oc1ccccc1N[C@H](c1cccnc1)c1ccc2cccnc2c1O	189747	XUQHRWDMEIFJHR-LJQANCHMSA-N	343.386	4.243	10	40	EICB	
Cc1cccc(N[C@@H](c2cccnc2)c2ccc3cccnc3c2O)n1	21729066	LFZRZBCBGYZINQ-IBGZPJMESA-N	342.402	4.240	10	40	EICB	
CCN(CCCNC(=S)Nc1ccccc1)c1ccc(C)cc1	225732432	DEZAYEBKZBOVPQ-UHFFFAOYSA-N	327.497	4.198	10	40	EICB	
Cc1ccc(NC(=S)NCCCN(C)c2ccccc2)cc1Cl	225747741	GCPGZUSIWVSLBO-UHFFFAOYSA-N	347.915	4.461	10	40	EICB	
CN(Cc1ccc(N(C)C)cc1)C(=O)C1(c2ccc(Cl)cc2)CC1	28495251	GXPYUKMKWZTRGI-UHFFFAOYSA-N	342.870	4.096	10	40	EICB	
C[C@@H](NC(=S)Nc1cccc(F)c1)c1ccc(N2CCCC2)cc1	225694889	WMPPRKSTGLABBP-CQSZACIVSA-N	343.471	4.474	10	40	EICB	
Nc1ccc(/N=N\c2cccc(S(=O)(=O)O)c2)c2ccccc12	17303084	COAVSGQDMBDKLG-HNENSFHCSA-N	327.365	4.084	10	40	EICB	
c1ccc(-c2cnc(SC[C@H]3CCCO3)n2C[C@@H]2CCCO2)cc1	54774264	KSGKQZFUZYVEAW-DLBZAZTESA-N	344.480	4.000	10	40	EICB	
CCCN1C(=O)/C(=C\c2ccc(O[C@@H](C)CC)cc2)SC1=S	409329090	CNBAQRPYALURFG-YGRGUWMTSA-N	335.494	4.475	10	40	EICB	
Cc1ccc(-n2c(C)cc(C(=O)CSc3nncs3)c2C)cc1	3413015	LCGMLPPGXVKXSO-UHFFFAOYSA-N	343.477	4.229	10	40	EICB	
O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCc1ccco1	604404069	BFIZJAYWLCLKCF-UHFFFAOYSA-N	341.366	4.049	10	40	EICB	biogenic
CC(=O)c1c2c(n3cc4ccccc4cc13)C(=O)c1ccccc1C2=O	3635763	BNAOZYABRCDCNH-UHFFFAOYSA-N	339.350	4.071	10	40	EICB	
Cc1cc(=O)oc2c(CN3C[C@]4(C)C[C@H]3CC(C)(C)C4)c(O)ccc12	85874771	FBWAJDPTFBTVBL-SPLOXXLWSA-N	341.451	4.208	10	40	EICB	
O=S(=O)(O)c1cc2ccccc2c(O)c1/N=N\c1ccccc1	104366312	SOFSEIQYPZMXEG-ZCXUNETKSA-N	328.349	4.208	10	40	EICB	
C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3/SC(S)=NC3=O)cc21	108228612	CRXNDAIXBFJJAW-CEITULEQSA-N	332.494	4.309	10	40	EICB	
COc1ccc(N2CCO[C@@H]2c2ccn(-c3ccc(C)cc3)c2)cc1	216726172	ZHCAPMAJFFDJQQ-OAQYLSRUSA-N	334.419	4.330	10	40	EICB	
CCN(CC)c1ccc(CNC(=S)Nc2ccc(C)cc2)cc1	225457027	PBPXTXIRZWIVMR-UHFFFAOYSA-N	327.497	4.328	10	40	EICB	
Oc1ccccc1C1=NN2[C@H](C1)c1ccccc1O[C@@H]2c1ccccn1	102907250	QBBSAYXIDJBUOZ-WIYYLYMNSA-N	343.386	4.030	10	40	EICB	
Cc1cccc(NC(=S)N[C@H](C)c2ccc(N3CCCC3)cc2)n1	225697013	JEPVBVOVCOAEMC-OAHLLOKOSA-N	340.496	4.038	10	40	EICB	
O=C1N=C(N2CCCC2)S/C1=C\c1ccc(Cl)c(Cl)c1	13711911	LNOHTKGSGRONMA-WQLSENKSSA-N	327.236	4.060	10	40	EICB	
COc1ccc(N2C(=O)/C(=C/c3ccsc3)SC2=S)cc1	1086318	JASIZNHLIZSZFS-JYRVWZFOSA-N	333.459	4.163	10	40	EICB	
CC(C)C1=NN2C(=N)/C(=C/c3cccc4ccccc34)C(=O)N=C2S1	41083271	JZANIZOQUXBCKW-YERBQUFUSA-N	348.431	4.115	10	40	EICB	
COc1cc(/N=N/c2cccc(C(=O)OC(C)C)c2)cc(C=O)c1O	70462732	RYCWZTWNINSUDQ-FMQUCBEESA-N	342.351	4.194	10	40	EICB	
CCC(CC)C1=NN2C(=N)/C(=C\c3ccc(C)cc3)C(=O)N=C2S1	5574902	CYANFBPAWZUZEL-DVYIFPGJSA-N	340.452	4.050	10	40	EICB	
CCc1ccc(N2C(=O)/C(=C\c3ccccc3O)SC2=S)cc1	35038764	NLJINJQCFYGSAD-LFIBNONCSA-N	341.457	4.360	10	40	EICB	
COc1ccccc1-n1c(CCC(=O)O)ccc1-c1ccc(F)cc1	408947019	NKWKLKFNIHOGKZ-UHFFFAOYSA-N	339.366	4.309	10	40	EICB	
CCN(CC)c1ccc(CNC(=O)c2ccc(OC)c(Cl)c2)cc1	225148495	NPPVJSGITIPUBR-UHFFFAOYSA-N	346.858	4.125	10	40	EICB	
C[C@@H]1CCCN(c2ccc(CNC(=S)Nc3ccccc3)cc2)C1	225689155	VUHFRXORIDLIGH-MRXNPFEDSA-N	339.508	4.410	10	40	EICB	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(Cl)c([N+](=O)[O-])c1	15658920	CNWQXMBSRHTZON-ZROIWOOFSA-N	341.754	4.054	10	40	EICB	
COC(=O)c1cccc2c1N[C@@H](c1ccc3c(c1)OCO3)[C@H]1CC=C[C@@H]21	408736029	AZXMLIYVCITVRC-TYILLQQXSA-N	349.386	4.028	10	40	EICB	
COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1ccccc1	409018298	KOUOIYBMAMHMDH-UYRXBGFRSA-N	347.414	4.181	10	40	EICB	
O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccncc1)N2	6969886	CLKRLRUVGZLXQF-HSMVNMDESA-N	327.771	4.470	10	40	EICB	
COC(=O)c1cc(C)n(-c2ccc(Br)cc2Cl)c1C	223706184	KDLAQAYYHCWGCI-UHFFFAOYSA-N	342.620	4.297	10	40	EICB	
COc1ccc(OC)c(/C=C2\C=C(c3ccc(C)cc3C)OC2=O)c1	33294198	OEJIKUOJCZLMPF-MHWRWJLKSA-N	336.387	4.302	10	40	EICB	
CCCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2C)SC1=S	409326623	CPPVJRCLSBIDED-VBKFSLOCSA-N	346.521	4.206	10	40	EICB	
Cc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1	4151774	RKVYETXLERGGJY-UHFFFAOYSA-N	341.366	4.023	10	40	EICB	
CC1=NN(c2ccccc2)C(=S)/C1=C\Nc1ccccc1[N+](=O)[O-]	13590625	YKGOQTCBFWJBPT-KAMYIIQDSA-N	338.392	4.114	10	40	EICB	
Cc1cc(C(=O)CN2CCC[C@@H](C)C2)c(C)n1-c1ccc(F)cc1	3257454	YROVKHWEZGOCDG-CQSZACIVSA-N	328.431	4.148	10	40	EICB	
Cc1cccc(NC(=S)NCc2ccc(N3CCCC3)cc2)c1	41744934	QFWQZXSVINVZLM-UHFFFAOYSA-N	325.481	4.082	10	40	EICB	
CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1ccc2nc(C)sc2c1	100726914	OPGRRVIRRBIUCA-UAFUQJIBSA-N	349.419	4.480	10	40	EICB	
Cc1ccsc1CN(C)C(=O)/C=C/c1ccc2c(c1)CCCN2C	61132925	SPPGKWMTFVSZNO-VQHVLOKHSA-N	340.492	4.111	10	40	EICB	
S=C(NCCCN1CCc2ccccc21)Nc1cccc(Cl)c1	225558800	PIMQWTKQIMTGKW-UHFFFAOYSA-N	345.899	4.079	10	40	EICB	
Nc1ccc(Nc2c(C(=O)O)cnc3c(C(F)(F)F)cccc23)cc1	5510895	ZWRQLQMCLRMMRO-UHFFFAOYSA-N	347.296	4.278	10	40	EICB	
Cc1c(C)c2cc(Cl)c(O)c(CN3CCC[C@H](C)C3)c2oc1=O	20292566	CSECEVUEOJVQDB-JTQLQIEISA-N	335.831	4.001	10	40	EICB	
CC(=O)c1c(F)cccc1N1CC=C(c2c[nH]c3ncccc23)CC1	42097482	ZUIACTQAQPQRLK-UHFFFAOYSA-N	335.382	4.198	10	40	EICB	
COC(=O)c1ccc(C(=O)Nc2ccc(-n3c(C)ccc3C)cc2)cc1	12528513	XALYHOLQGIPBNX-UHFFFAOYSA-N	348.402	4.133	10	40	EICB	
O=C1NC(=O)/C(=C\c2cc(/N=N/c3ccccc3)ccc2O)S1	18212803	FWGNIJGEUMAROS-VJUOCIDTSA-N	325.349	4.132	10	40	EICB	
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)[C@H](N=[N+]=[N-])C[C@@]43C)[C@@H]1CCC2=O	118935713	HVCPQJTYNXIKBN-JUYVGDAESA-N	331.460	4.248	10	40	EICB	
CCN1C(=O)/C(=C/c2cc(C)n(C3CCCC3)c2C)SC1=S	409145506	IOYGLZZHAYJBKH-GDNBJRDFSA-N	334.510	4.441	10	40	EICB	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(N2CCCC2)c(C)c1	15013204	AXDJHUQXUIUHSV-HKWRFOASSA-N	345.446	4.401	10	40	EICB	
CN(C)c1ccc(/C=C\c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1	17046975	OPTATLBAJXLARP-ARJAWSKDSA-N	347.758	4.393	10	40	EICB	
O=C1/C(=C\C=C\c2ccco2)SC(=S)N1c1cccc(F)c1	27533658	WSPDSCWGDDRJJX-BOAPOFAJSA-N	331.393	4.381	10	40	EICB	
CCO[C@@H](C)c1nc(C)c(C(=O)N[C@H](CC)c2ccccc2O)s1	77006178	APZXWCHFJXIJNO-GXTWGEPZSA-N	348.468	4.136	10	40	EICB	
C[C@H](NCc1ccccc1O)c1ccc(OCc2cccnc2)cc1	71792521	UALNEMPDCUDAJB-INIZCTEOSA-N	334.419	4.217	10	40	EICB	
Cc1cc(=O)oc2c(CN3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(O)ccc12	79192229	FBWAJDPTFBTVBL-QKKBWIMNSA-N	341.451	4.208	10	40	EICB	
S=C(NCc1ccc(N2CCCC2)cc1)Nc1cccc(Cl)c1	225422913	GUUZKUHUWKYFRK-UHFFFAOYSA-N	345.899	4.427	10	40	EICB	
CCN1C(=O)/C(=C/C=C2/Sc3ccccc3N2CC)SC1=S	34737593	KJXKJGBRCAUHMN-ZKLMZBBOSA-N	348.518	4.224	10	40	EICB	
Oc1ccccc1C1=NN2[C@H](c3ccco3)Oc3ccccc3[C@H]2C1	10215205	SFZXNFZLZIAUPV-UZLBHIALSA-N	332.359	4.228	10	40	EICB	
O=C1/C(=C/c2cccc(F)c2)SC(=S)N1c1cccc(F)c1	13712712	VRXKMTDYPRIECO-ZSOIEALJSA-N	333.384	4.371	10	40	EICB	
O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccnc1)N2	409168041	KVPUIJDUJNNGDH-WWGRRREGSA-N	327.771	4.470	10	40	EICB	
C[C@H]1[C@@H](c2ccccc2)O[C@@H](c2cc(Br)ccc2O)N1C	15083169	USLVDHPPHHAWNG-GOPGUHFVSA-N	348.240	4.245	10	40	EICB	
O=C1/C(=C\c2cccc(F)c2)SC(=S)N1CNc1ccccc1	33907948	GQHBTSIEOWHLNI-XNTDXEJSSA-N	344.436	4.097	10	40	EICB	
CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCc1ccccc1Cl	103916311	PTVRUBYCUOLKEG-AQTBWJFISA-N	339.826	4.126	10	40	EICB	
Nc1ccc(Oc2cccc(-c3nnc(-c4cccc(N)c4)[nH]3)c2)cc1	255189267	OTGMKCYNOGGLEG-UHFFFAOYSA-N	343.390	4.095	10	40	EICB	
CC(=O)c1cccc(N2C(=O)/C(=C\c3ccc(C)o3)SC2=S)c1	2702100	QQVHHCVLIZVLEV-OQLLNIDSSA-N	343.429	4.196	10	40	EICB	
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1ccc(O)cc1C	4982630	NNLWHNIICWBYAL-MHWRWJLKSA-N	341.798	4.073	10	40	EICB	
Cc1ccc(NC(=S)NCc2ccc(N3CCCC3)cc2)cc1	41744894	AZZAHKOIUBBFFD-UHFFFAOYSA-N	325.481	4.082	10	40	EICB	
O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccnc1)N2	409168042	KVPUIJDUJNNGDH-XJKCOSOUSA-N	327.771	4.470	10	40	EICB	
O=C1c2ccccc2N[C@H](c2ccccc2O)N1c1ccc(F)cc1	67188	ZEFTXOXLFAHRAD-IBGZPJMESA-N	334.350	4.302	10	40	EICB	
CC[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccccc2O)N3)C1	6603965	IJAPEORMUPRGSM-MGPLVRAMSA-N	328.437	4.398	10	40	EICB	
Oc1ccc(C2=NN3[C@H](c4ccncc4)Oc4ccccc4[C@H]3C2)cc1	10215389	PULUYYLFTLPVFL-CTNGQTDRSA-N	343.386	4.030	10	40	EICB	
CCc1ccc(NC2=NC(=O)/C(=C\c3cccc(F)c3)S2)cc1	35647295	UENJMDVQKFBVJC-LFIBNONCSA-N	326.396	4.471	10	40	EICB	
Cc1[nH]c(=N)sc1/N=N\c1cc(Cl)c([N+](=O)[O-])cc1Cl	104128606	BEOGUAZIXAMUJG-NXVVXOECSA-N	332.172	4.494	10	40	EICB	
CC[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccccc2O)N3)C1	6603568	IJAPEORMUPRGSM-QLJPJBMISA-N	328.437	4.398	10	40	EICB	
CCOc1ccc(/C=C2/SC(Nc3ccc(C)cc3)=NC2=O)cc1	35038645	DTCKOESHPJRUNK-SFQUDFHCSA-N	338.432	4.476	10	40	EICB	
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cccs1	12413456	VDJWEIFIJVHTSB-VBKFSLOCSA-N	339.416	4.015	10	40	EICB	
CCc1ccc(N2C(=O)/C(=C/c3cccc(O)c3)SC2=S)cc1	5371209	RKAPYTLZZZPMGP-WJDWOHSUSA-N	341.457	4.360	10	40	EICB	
Cc1ccc(CO)c2c1N[C@H](c1ccc(C(=O)O)cc1)[C@H]1CC=C[C@@H]21	14944377	GMRQDMOWAMYVIM-FUHIMQAGSA-N	335.403	4.012	10	40	EICB	
Cc1ccc(O)c(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1	26713069	XBBZQMSEPFSQMM-YBEGLDIGSA-N	341.457	4.102	10	40	EICB	
Cc1cc2oc(=O)cc(-c3ccccc3)c2c(O)c1CN1CCCCC1	45164	JUGWLHHBCHTWGR-UHFFFAOYSA-N	349.430	4.460	10	40	EICB	
C[C@@H]1CCCN(Cc2c(O)ccc3c(-c4ccccc4)cc(=O)oc23)C1	407891	ABTUOYUETFJRLF-OAHLLOKOSA-N	349.430	4.398	10	40	EICB	biogenic
CCCOc1ccccc1/C=C1\SC(N2CCCCCC2)=NC1=O	12436687	ALONRKKJLVBFEJ-VKAVYKQESA-N	344.480	4.322	10	40	EICB	
O=C1N=C(NCc2ccccc2)S/C1=C/c1ccc(Cl)cc1	27515453	CLAFIVNSSVOTSP-XNTDXEJSSA-N	328.824	4.100	10	40	EICB	
O=[N+]([O-])c1cc(F)ccc1Nc1ccc(NC2CCOCC2)cc1	58289797	YQAANLPNPPQCNO-UHFFFAOYSA-N	331.347	4.068	10	40	EICB	
CCCN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S	59417947	SZMSCMOWICYMNH-DHZHZOJOSA-N	342.283	4.060	10	40	EICB	
CCN(CC)c1ccc(/C=C2/SC(NC3CCCC3)=NC2=O)cc1	96669659	CYTSCLDKEUEORB-GHRIWEEISA-N	343.496	4.035	10	40	EICB	
Cc1ccc(C)c(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)c1	225393831	DYWPAXLWLFVDBA-QGZVFWFLSA-N	336.479	4.470	10	40	EICB	
Cc1ccc(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cn1	72043662	WTDKSCOXODQHHF-UHFFFAOYSA-N	337.467	4.089	10	40	EICB	
Oc1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@@H]2c1ccncc1	102907241	PFAGYMBTGNNLCN-GHTZIAJQSA-N	343.386	4.030	10	40	EICB	
Cc1ccc(NCN2C(=O)/C(=C\c3ccccc3)SC2=S)cc1	4692972	FFOCVQTWUPXXBX-LFIBNONCSA-N	340.473	4.266	10	40	EICB	
CCOc1ccc(N(CC)Cc2cnc(C)nc2)cc1C(F)(F)F	14000293	UVEMAAZYBJBODW-UHFFFAOYSA-N	339.361	4.229	10	40	EICB	
O=C1N=C(NC2CCCC2)S/C1=C/c1ccc(C(F)(F)F)cc1	96121195	OMFHYCSVCBSYCU-UKTHLTGXSA-N	340.370	4.208	10	40	EICB	
CC1=NN(c2ccccc2)C(=O)/C1=C/C=C/c1ccc(N(C)C)cc1	100254521	BBOIFOBVWJBYCF-PLOBCEGZSA-N	331.419	4.115	10	40	EICB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(Br)s1	101089093	OAJKHSVQAPNONI-UKTHLTGXSA-N	347.237	4.317	10	40	EICB	
C[C@H](NCc1ccccc1O)c1cccc(OCc2ccccn2)c1	78394120	RJHOWGLEROBMJM-INIZCTEOSA-N	334.419	4.217	10	40	EICB	
O=[N+]([O-])c1ccc([C@@H]2Nc3cc([N+](=O)[O-])ccc3[C@@H]3C=CC[C@H]32)cc1	20457599	HVSGYSDFVTWWQQ-LESCRADOSA-N	337.335	4.330	10	40	EICB	
Cc1ccccc1NC1=NC(=O)/C(=C/c2c(F)cccc2F)S1	96663440	FHAFBMXDMOBUHT-DHDCSXOGSA-N	330.359	4.356	10	40	EICB	
O=C(c1cccs1)N1N=C(c2ccco2)C[C@H]1c1ccccc1O	7616079	VRNUIHLFWQYVQY-AWEZNQCLSA-N	338.388	4.038	10	40	EICB	
CCC(C)(C)[C@H]1CCc2nc3sc(C(=O)OC)c(N)c3cc2C1	13579080	BFZXCCXOKPJFMI-NSHDSACASA-N	332.469	4.206	10	40	EICB	
COc1ccc(N2CCO[C@H]2c2ccn(-c3ccc(F)cc3)c2)cc1	216726813	CULGBJJONJSZOK-FQEVSTJZSA-N	338.382	4.160	10	40	EICB	
O=C(c1cccs1)N1N=C(c2ccc(O)cc2)C[C@H]1c1ccccc1	13123116	QWMMCZJIYDUMIN-SFHVURJKSA-N	348.427	4.445	10	40	EICB	
O=C(c1cccs1)N1N=C(c2ccccc2O)C[C@H]1c1ccco1	11692685	IQGWRHCCSNMNJV-AWEZNQCLSA-N	338.388	4.038	10	40	EICB	
O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccnc1)N2	409168039	KVPUIJDUJNNGDH-DVOMOZLQSA-N	327.771	4.470	10	40	EICB	
CN1/C(=C/C=C/c2n(C)c3ccccc3[n+]2C)C=Cc2ccccc21	27987930	IXVNFTSKMUSZHE-UHFFFAOYSA-N	328.439	4.063	10	40	EICB	
COC(=O)c1ccccc1Nc1c(-c2ccco2)nc2cc(C)ccn12	35616048	QRMLIEJEGQYFQG-UHFFFAOYSA-N	347.374	4.433	10	40	EICB	
O=C1/C(=C\c2ccccc2[N+](=O)[O-])SC(=S)N1c1ccccc1	17163056	DTTMESYQADJMCV-GXDHUFHOSA-N	342.401	4.001	10	40	EICB	
CCOc1cccc(CNc2ccc(Br)cc2C)c1O	19905604	SXMAVVHSIMKHIN-UHFFFAOYSA-N	336.229	4.474	10	40	EICB	
O=C(Nc1ccc(/N=N/c2ccccc2)cc1)[C@H]1CC(=O)N(C2CC2)C1	60741429	CCSLRAUHLPLYMJ-FAFWDCIRSA-N	348.406	4.051	10	40	EICB	
C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3/SC(=O)N(C)C3=O)cc21	208201705	ZUAITDXTLLXKQC-ZRRZQRFHSA-N	330.453	4.075	10	40	EICB	
O=C1OC(c2ccc(F)cc2)=C/C1=C\c1ccc(Cl)c([N+](=O)[O-])c1	4672573	IXSVSNKMOZZWGJ-KPKJPENVSA-N	345.713	4.369	10	40	EICB	
CC1(C)Cc2c(ccc3ccccc23)/C(=C/C(=O)N2CCCCC2)N1	4764814	XZPPEACMGZGGHN-ZHZULCJRSA-N	334.463	4.118	10	40	EICB	
CCc1c(C)c2cc(Cl)c(O)c(CN3CCCCC3)c2oc1=O	20293035	OUOQGRXLGNBUQE-UHFFFAOYSA-N	335.831	4.009	10	40	EICB	aggregator
Cc1nc(N)nc(-c2ccccc2)c1/N=N\c1cccc([N+](=O)[O-])c1	100458990	SSOFYBZMAOIGOY-DQRAZIAOSA-N	334.339	4.358	10	40	EICB	
O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccn1)N2	409158690	YETDJPUNZIHBGL-QFSBIZTOSA-N	327.771	4.470	10	40	EICB	
COc1ccc(OC)c2c(/C=C/c3ccc(N(C)C)cc3)ccnc12	13220433	BXTQTAIINSWRAT-VMPITWQZSA-N	334.419	4.488	10	40	EICB	
O=C(O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccccn1)N2	4623284	UOOMRAKLNOZSDI-UVWXRNBGSA-N	326.783	4.260	10	40	EICB	
CC(C)N1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)SC1=S	6306995	QNINHHVZXMFMDB-YRNVUSSQSA-N	331.384	4.315	10	40	EICB	
COc1ccccc1N1C(=O)/C(=C\C=C\c2ccco2)SC1=S	27533635	KXTVSFYZTYYHHE-SQXCIYSKSA-N	343.429	4.250	10	40	EICB	
O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc3c(c1)OCO3)N2	408736066	CSTBMZMFOMROOS-TYILLQQXSA-N	336.347	4.150	10	40	EICB	
Cc1c(C(=O)O)ccc2c1N[C@H](c1ccccc1C(=O)O)[C@@H]1CC=C[C@@H]21	409163508	SNRXUMQDFGYXDI-LPMFXHHGSA-N	349.386	4.218	10	40	EICB	
CCN(CC)c1ccc(/C=C/c2noc(-c3ccccc3O)n2)cc1	4747537	FJDFGXLEVJBWLE-SDNWHVSQSA-N	335.407	4.459	10	40	EICB	
O=C(O)c1ccc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@H]3C=CC[C@@H]32)cc1	6971451	OXUFAGYAPAHUMX-ZQIUZPCESA-N	336.347	4.120	10	40	EICB	
CCCC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C/c1cccs1	36617130	CZMFQHJUNGPJHT-RVDMUPIBSA-N	340.404	4.033	10	40	EICB	
Cc1ccc([C@H]2CC(c3ccccc3O)=NN2C(=O)c2ccco2)cc1	4942488	USFYBSWUKOXCMI-GOSISDBHSA-N	346.386	4.285	10	40	EICB	
O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1C1CCCCC1	5569234	GAKXWCWZNZTDDG-UVTDQMKNSA-N	348.449	4.129	10	40	EICB	
Cc1ccc(/C=C2\SC(=S)N(CN3CCCC[C@H]3C)C2=O)cc1	59474358	ZYVAHAXHOKXWBI-VQCBNXJZSA-N	346.521	4.028	10	40	EICB	
CCOC(=O)C1=NN(c2ccccc2)/C(=C/c2ccc(C)cc2)S1	2058698	QFLRSACIXZITHN-LGMDPLHJSA-N	338.432	4.423	10	40	EICB	
C[C@H]1C[C@@H]1C(=O)OCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1	18059528	WYWKLODTCMKACH-XAHONXRDSA-N	337.379	4.240	10	40	EICB	
CN(C)c1ccc(CN(C(=O)Nc2ccccc2)c2ccccn2)cc1	28286832	KNTAVQNDDXVOAH-UHFFFAOYSA-N	346.434	4.386	10	40	EICB	
Cc1ccc(/C=C2/SC(=S)N(c3cccnc3)C2=O)cc1C	98008599	ONESSLDTAAJXAC-OQLLNIDSSA-N	326.446	4.104	10	40	EICB	
CCN(CC)c1ccc(CNC(=O)c2ccc(Cl)cc2F)cc1	224950463	CFCPPRSLBSUKAE-UHFFFAOYSA-N	334.822	4.255	10	40	EICB	
Cc1ccc(O)c([C@H]2N=C(O)c3c(sc4c3CC[C@@H](C)C4)N2)c1	4571289	WNLFYHSLWBHJPD-HWPZZCPQSA-N	328.437	4.316	10	40	EICB	
Cc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)c2ccccn2)cc1	28286834	HXXNOUBKBALRRM-UHFFFAOYSA-N	345.446	4.303	10	40	EICB	
CCN1C(=O)/C(=C/c2ccc(OC)c3ccccc23)SC1=S	1203900	RJWGEPNCLMQGOF-GDNBJRDFSA-N	329.446	4.070	10	40	EICB	
CN(C)c1ccc(C2N=c3c(c4ccccc4c4ccccc34)=N2)cc1	7348516	LXGAEQQANGITMB-UHFFFAOYSA-N	337.426	4.011	10	40	EICB	
Cc1ccc(Nc2ccc(O)c3c2C(=O)[C@@H]2C=CC=C[C@H]2C3=O)c(C)c1	100643786	XCTVLHMEBPTXLG-HUUCEWRRSA-N	345.398	4.490	10	40	EICB	
C[C@H]1[C@@H](c2ccccc2)O[C@H](c2cc(Br)ccc2O)N1C	15083171	USLVDHPPHHAWNG-MZPVMMEZSA-N	348.240	4.245	10	40	EICB	
Oc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccnc2)cc1	10215390	AHDDVDGOWZWOFF-FPOVZHCZSA-N	343.386	4.030	10	40	EICB	
O=C1/C(=C\C=C\c2ccco2)SC(=S)N1c1ccccc1F	27533655	BNRCSUXICFNOHN-HNBAAQFOSA-N	331.393	4.381	10	40	EICB	
CCCCCN/C(C)=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1	112113951	YLJQHWFNFYQGEH-JZJYNLBNSA-N	347.462	4.491	10	40	EICB	
COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1cccnc1)N2	4623400	QOJLCDHPSFFGKY-IIYDPXPESA-N	340.810	4.348	10	40	EICB	
O=C(/C=C/C(=O)N1CCCC1)Nc1ccc(/N=N/c2ccccc2)cc1	6343968	NSSNSDCHPYOYPG-JLOFEOLUSA-N	348.406	4.219	10	40	EICB	
CCCCOC(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)O)c2)cc1	70462708	LLGVVXRFWHRKNR-FMQUCBEESA-N	342.351	4.463	10	40	EICB	
CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/Nc1ccc(Cl)cc1	100041011	SLINMSRSTKXUCI-GZTJUZNOSA-N	325.799	4.367	10	40	EICB	
O=C(O)c1ccc([C@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc1	4959406	HCIYEXVHIYQVBY-RLFYNMQTSA-N	336.347	4.120	10	40	EICB	
COc1cccc(N2C(=O)/C(=C\c3cccc(F)c3)SC2=S)c1	5932584	YOTJFADZEQNFRH-OQLLNIDSSA-N	345.420	4.240	10	40	EICB	
Oc1c(Cl)cc(Cl)cc1CNc1ccc(Br)cn1	20191359	ROGZUXWCQAZKGO-UHFFFAOYSA-N	348.027	4.469	10	40	EICB	
Cc1ccc(C)n1-c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	799737	PPWJPRJFWOQXFY-UHFFFAOYSA-N	336.347	4.222	10	40	EICB	
O=C(O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccccn1)N2	4623285	UOOMRAKLNOZSDI-GDLVEWKHSA-N	326.783	4.260	10	40	EICB	
COc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1	15015235	RFYYOTQIOILUHQ-GDNBJRDFSA-N	345.420	4.240	10	40	EICB	
CCCCN1C(=O)/C(=C\c2cccc3ccccc23)C(C(=O)OC)=C1C	409197619	KLQIBKFEMYDLKT-RGEXLXHISA-N	349.430	4.313	10	40	EICB	
CCc1ccc(C2=C/C(=C/c3cc(OC)ccc3OC)C(=O)O2)cc1	200045	QXXPHHGWTZAWPC-BOPFTXTBSA-N	336.387	4.248	10	40	EICB	
Cc1cccc([C@@H]2N=C(O)c3c(sc4c3CC[C@H](C)C4)N2)c1O	6451198	FHTYCCIKEYRYBE-XXFAHNHDSA-N	328.437	4.316	10	40	EICB	
Oc1ccccc1N[C@@H](c1cccnc1)c1ccc2cccnc2c1O	189738	XUQHRWDMEIFJHR-IBGZPJMESA-N	343.386	4.243	10	40	EICB	
CC(=O)c1cccc(NC2=NC(=O)/C(=C/C=C/c3ccco3)S2)c1	5374564	MPMFJSPAFBWHSK-NCEJDAPFSA-N	338.388	4.121	10	40	EICB	
Cc1cc(C(=O)CNCc2ccccc2)c(C)n1-c1ccccc1F	96305895	NJDGWJLVBVUCDK-UHFFFAOYSA-N	336.410	4.206	10	40	EICB	
CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C1=O	409094996	GSKKYRPVRWZECA-BOPFTXTBSA-N	340.448	4.459	10	40	EICB	
Cc1ccc(N2C(=O)/C(=C/c3ccccn3)SC2=S)c(C)c1	1238015	IHAZAXNPFDPNDA-GDNBJRDFSA-N	326.446	4.104	10	40	EICB	
CN(C)c1ccc(CN[C@@H](C(=O)c2ccccc2)c2ccccc2)cc1	31961974	ZNVZKCJRGBXGHI-JOCHJYFZSA-N	344.458	4.466	10	40	EICB	
CN(Cc1c(O)ccc2c1oc(=O)c1ccccc12)C1CCCCC1	142645	YQIBCBWHGJLCTN-UHFFFAOYSA-N	337.419	4.416	10	40	EICB	
COc1ccc(N2C(=O)/C(=C\c3ccccc3F)SC2=S)cc1	4477975	JMKOQOBSHLCUHH-XNTDXEJSSA-N	345.420	4.240	10	40	EICB	
CCOC(=O)c1[nH]c2ccccc2c1/N=N/N1CCCC(C)(C)C1	5278020	MYSKRSWHUXVBEF-QZQOTICOSA-N	328.416	4.465	10	40	EICB	
C[C@H]1CCc2sc(C(=O)N(C)Cc3ccc(N(C)C)cc3)cc2C1	18150384	NWJORPGLIWESSA-AWEZNQCLSA-N	342.508	4.211	10	40	EICB	
O=C(O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccncc1)N2	409165102	SLMDBJFRDZIHFW-XHBSWPGZSA-N	326.783	4.260	10	40	EICB	
COc1ccc([C@H]2CC(c3c(O)ccc4ccccc34)=NN2)cc1OC	5838517	QYRRINJOHZQPOP-MRXNPFEDSA-N	348.402	4.001	10	40	EICB	
COc1ccc(CNCc2c(C)nn(Cc3ccccc3)c2C)cc1C	32860474	VDEGZOQGOIAFKU-UHFFFAOYSA-N	349.478	4.155	10	40	EICB	
Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1	3435745	XCYCNDLXJOFOPH-UHFFFAOYSA-N	334.375	4.075	10	40	EICB	
COc1cccc([C@H]2N=C(O)c3c(sc4c3CC[C@@H](C)C4)N2)c1O	6468301	FSPZVTJCMUFTQW-ABKXIKBNSA-N	344.436	4.016	10	40	EICB	
CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C/NCc1ccccc1	100111156	SEQJYIXCEJRACN-NBVRZTHBSA-N	337.398	4.002	10	40	EICB	
COc1ccccc1NC(=O)NCc1ccc(N2CCCCC2)cc1	51499895	QBLBDFGAAAOCJB-UHFFFAOYSA-N	339.439	4.007	10	40	EICB	
COc1ccc(N2N=C(C)/C(=C(\C)Nc3ccc(C)c(C)c3)C2=O)cc1	112114272	BUDJJBDNWJLFPS-HKWRFOASSA-N	349.434	4.421	10	40	EICB	
CCOC(=O)c1sc2nc(C(C)C)c3c(c2c1N)CC(C)(C)OC3	509783	MTBNPFXAPPCARC-UHFFFAOYSA-N	348.468	4.030	10	40	EICB	
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(N(C)C)cc1	5327813	QAEQIHFSHXXKKG-LDADJPATSA-N	339.826	4.212	10	40	EICB	
O=C1/C(=C/c2cccc(Cl)c2)SC(=S)N1Cc1ccco1	5371871	KPBCUVYMDCSTJY-JYRVWZFOSA-N	335.837	4.334	10	40	EICB	
C[C@H](NC(=S)Nc1cccnc1)c1ccc(N2CCCCC2)cc1	225666754	LEDVUGIRUANURH-HNNXBMFYSA-N	340.496	4.120	10	40	EICB	
COC(=O)c1cc(-c2ccccc2)n(-c2cccc3nsnc23)c1C	503560	NJJLNLIKKYVQFZ-UHFFFAOYSA-N	349.415	4.244	10	40	EICB	
Cc1cccc([C@@H](Nc2ccccn2)c2ccc3cccnc3c2O)n1	19842987	JSLNGYONZXJHGQ-FQEVSTJZSA-N	342.402	4.240	10	40	EICB	
Cc1ccc(CC(=O)NCc2ccc(N3CCCCC3)cc2)c(C)c1	222941697	CKFOYVXETFDXQG-UHFFFAOYSA-N	336.479	4.153	10	40	EICB	
Cc1ccc(O)c(C(=O)CSc2ncc(-c3ccccc3)n2C)c1	1428335	DXRVTPCLSNRCRG-UHFFFAOYSA-N	338.432	4.076	10	40	EICB	
CCc1cc(=O)oc2c(CN3CCCC[C@@H]3CC)c(O)c(Cl)cc12	20323939	IGAOLRKTALBPMO-ZDUSSCGKSA-N	349.858	4.479	10	40	EICB	
COc1cccc([C@H](Cc2ccccc2)NCc2ccccc2)c1O	31923725	DREJHPHFNSAAHL-FQEVSTJZSA-N	333.431	4.474	10	40	EICB	
O=C(O)c1ccc(/N=N/c2c(O)c(C(=O)O)cc3ccccc23)cc1	5003707	CCBRIAPVSFEYJE-FMQUCBEESA-N	336.303	4.357	10	40	EICB	
Cc1ccc(N2C(=O)/C(=C/c3cccc(C)n3)SC2=S)cc1	409350613	SAIRDJPGHLAJMG-GDNBJRDFSA-N	326.446	4.104	10	40	EICB	
COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccccn1)N2	6950368	AUAZTKCYZSUNPY-PSTGCABASA-N	340.810	4.348	10	40	EICB	
CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NC1CCCC1	112110858	WJYNLTYOALCLOR-AQTBWJFISA-N	329.419	4.135	10	40	EICB	
O=C(Cc1cccc(Cl)c1)NCc1ccc(N2CCCCC2)cc1	225561358	HMHFRXAVLMZQQG-UHFFFAOYSA-N	342.870	4.189	10	40	EICB	
CCOC(=O)c1sc2nc(-c3ccccc3)c3c(c2c1N)CCC3	528602	CAASYUGXXVSMSP-UHFFFAOYSA-N	338.432	4.211	10	40	EICB	
Cc1nc(N)nc(-c2ccccc2)c1/N=N/c1cccc([N+](=O)[O-])c1	18180258	SSOFYBZMAOIGOY-QURGRASLSA-N	334.339	4.358	10	40	EICB	
CC(=O)N(/C=C/C=C/c1sc2ccccc2[n+]1C)c1ccccc1	1557405	BSOZJEACBDGUCD-UHFFFAOYSA-N	335.452	4.306	10	40	EICB	
COc1ccc(CN(C)Cc2c(O)ccc3ccccc23)cc1F	12695848	RZWGYSKXVRBCBY-UHFFFAOYSA-N	325.383	4.325	10	40	EICB	
Cc1ccc(C(=O)C(=O)c2ccccc2Br)c(Cl)c1	409198870	GBSANZXFFLCESX-UHFFFAOYSA-N	337.600	4.477	10	40	EICB	
O=C(O)c1ccc([N+](=O)[O-])c2c1N[C@H]([C@H]1CC=CCC1)[C@H]1CC=C[C@H]21	4718533	AMXXQAQJHXLUKO-NEULZYRMSA-N	340.379	4.103	10	40	EICB	
CC[n+]1c(C=C2C=C(C)N(CCOC)C(C)=C2)sc2ccccc21	5523417	LZWYZBOANNIBLQ-UHFFFAOYSA-N	341.500	4.362	10	40	EICB	
CCc1ccc(NC2=NC(=O)/C(=C/c3cccc(OC)c3)S2)cc1	39870220	JDBUZKVMFNXZGC-ATVHPVEESA-N	338.432	4.340	10	40	EICB	
CCOC(=O)/N=N\C(OC(C)=O)(c1ccccc1)c1ccccc1	104391059	PJYPUIHVCJUQPE-VXPUYCOJSA-N	326.352	4.060	10	40	EICB	
COc1ccc(/C=C2\C=C(c3cc(C)ccc3C)OC2=O)c(OC)c1	409058128	RNUUCAKVQAMELD-MHWRWJLKSA-N	336.387	4.302	10	40	EICB	
CC[C@H](NC1CCN([C@H](C)c2ccncc2)CC1)c1ccccc1O	156846799	NYWVMZISQIREEO-UZLBHIALSA-N	339.483	4.054	10	40	EICB	
Cc1cccc(N2CCN(Cc3cc(C(C)C)c(C)cc3O)CC2)c1	12610410	CHCPUMMAWXSYBU-UHFFFAOYSA-N	338.495	4.455	10	40	EICB	
CCOc1c(/N=N/c2ccc(O)cc2)c(C)nn1C(=S)SC	17969626	DHPCSZJBTGVOHS-FOCLMDBBSA-N	336.442	4.207	10	40	EICB	
CN1CCN(Cc2cc(C(C)(C)C)cc(-c3ccccc3)c2O)CC1	19366600	FYSNJHLSYKTLAB-UHFFFAOYSA-N	338.495	4.104	10	40	EICB	
CC[C@@H]1CCCCN1Cc1c(O)ccc2c1oc(=O)c1ccccc12	45111	DLZWDJYQYWBOLU-CQSZACIVSA-N	337.419	4.416	10	40	EICB	
Cc1c(O)c(CN2CCCCC2)cc2c(-c3ccccc3)cc(=O)oc12	46577	FCBRJEBOCJJWKX-UHFFFAOYSA-N	349.430	4.460	10	40	EICB	
CN(C)c1ccc(CNC(=O)c2cc(C3CC3)nc3ccccc23)cc1	8171848	BIEFYBOJYHOCDP-UHFFFAOYSA-N	345.446	4.108	10	40	EICB	
CN1C(=O)/C(=C\c2ccc(Sc3ccccc3)o2)SC1=S	409334250	WKAQILGPYREUFC-FMIVXFBMSA-N	333.459	4.262	10	40	EICB	
CCc1ccc(NC(=O)C(=O)c2cc(C)n(-c3ccccc3)c2C)cc1	6780874	JGOVZWSRMQBEIV-UHFFFAOYSA-N	346.430	4.478	10	40	EICB	
CC1=NN(c2ccc(F)cc2)C(=O)/C1=C/Nc1ccccc1Cl	100148636	VVGVZGRGIGXMDI-GXDHUFHOSA-N	329.762	4.198	10	40	EICB	
CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1cccnc1	100423162	PXRZLHCQBPSZAN-AQTBWJFISA-N	338.386	4.110	10	40	EICB	
COC(=O)c1ccccc1Nc1c(-c2ccco2)nc2cccc(C)n12	35616074	SYBYXFKPZZFEFT-UHFFFAOYSA-N	347.374	4.433	10	40	EICB	
COCCCN1C(=O)/C(=C\c2ccc(C(C)C)cc2)SC1=S	2375628	AAYLNGXZOKUPNF-RVDMUPIBSA-N	335.494	4.048	10	40	EICB	
CCCN1C(=O)/C(=C\c2ccc(N(CC)CC)cc2)SC1=S	5863298	NIJRFDJPFSETBH-NTCAYCPXSA-N	334.510	4.144	10	40	EICB	
CCc1ccccc1NC1=NC(=O)/C(=C\c2ccccc2OC)S1	35042492	VUOPNMCRVFZRAW-SFQUDFHCSA-N	338.432	4.340	10	40	EICB	
Cc1conc1N[C@H](c1cccs1)c1ccc2cccnc2c1O	38288	LEOQDIYGKYAGMA-INIZCTEOSA-N	337.404	4.500	10	40	EICB	aggregator
COc1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C)cc1	12565689	XCYZVLHBLVEXCY-BOPFTXTBSA-N	326.783	4.155	10	40	EICB	
CN(C)c1ccc([C@@H]2SCCN2C(=O)Nc2ccccc2)cc1	28232373	YMDQRIPNKFERJL-KRWDZBQOSA-N	327.453	4.032	10	40	EICB	
CC[C@H](NCc1cncc(C)c1)c1cc(Br)ccc1O	186303675	YNBKLHHOTPNSLP-HNNXBMFYSA-N	335.245	4.099	10	40	EICB	
CC[C@H]1CCCCN1Cc1cc2c(C)c(C)c(=O)oc2c(C)c1O	2129079	PVFHAIYAMFDFJK-INIZCTEOSA-N	329.440	4.188	10	40	EICB	biogenic
Nc1ncnc(Nc2ccc(/N=N/c3ccccc3)cc2)c1[N+](=O)[O-]	4117098	ZJSNGDSQXFXROQ-QURGRASLSA-N	335.327	4.126	10	40	EICB	
CCOc1ccccc1NC1=NC(=O)/C(=C/c2ccc(C)o2)S1	6870641	CNTDQYCGBNBDPC-GDNBJRDFSA-N	328.393	4.069	10	40	EICB	
C[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccccc2O)SC1=S	9188689	XJEQPEROMWGUBT-COOUDCDJSA-N	341.457	4.355	10	40	EICB	
Cc1ccc(Nc2ccc(O)c3c2C(=O)[C@H]2C=CC=C[C@H]2C3=O)c(C)c1	68601264	XCTVLHMEBPTXLG-LSDHHAIUSA-N	345.398	4.490	10	40	EICB	
Cc1cc(C)cc(NCc2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1	226241439	LRMSVDJNYXQCPJ-UHFFFAOYSA-N	325.412	4.424	10	40	EICB	
O=C1N=C(N2CCCC2)S/C1=C\c1c(Cl)cccc1Cl	12437335	JUILRRAOVGCNRV-WQLSENKSSA-N	327.236	4.060	10	40	EICB	
CCc1ccc(/C=C2\C(=O)N(c3ccccc3)C(C)=C2C(=O)OC)cc1	409051668	BGEHVFLDDBLQHR-RGEXLXHISA-N	347.414	4.126	10	40	EICB	
O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccncc1)N2	6969884	CLKRLRUVGZLXQF-WQGACYEGSA-N	327.771	4.470	10	40	EICB	
Cc1n[nH]c(=O)c(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)c1C	58778734	XQQFUMYBBULGEV-GHVJWSGMSA-N	347.378	4.054	10	40	EICB	
FC(F)(F)Oc1ccc(N2CCC(NC3CCCC3)CC2)cc1	67254383	VBMPLFNCJXKUGF-UHFFFAOYSA-N	328.378	4.086	10	40	EICB	
Cc1ccc(/N=N\[C@@H](C2=NC(=O)CS2)c2nc3ccccc3[nH]2)cc1	104298967	MOOTYKWSLGHWLW-KJXVGZKYSA-N	349.419	4.368	10	40	EICB	
O=C(O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccccn1)N2	2478176	UOOMRAKLNOZSDI-OHUAYANFSA-N	326.783	4.260	10	40	EICB	
Cn1cccc1/C=C1\SC(=S)N(c2cccc(Cl)c2)C1=O	13768863	SKHBWDKATKDXDQ-LCYFTJDESA-N	334.853	4.084	10	40	EICB	
Cc1ccc(C2=C/C(=C\c3ccc(Br)o3)C(=O)O2)cc1	83317632	DIUJSOCDWVTXLN-XYOKQWHBSA-N	331.165	4.332	10	40	EICB	
O=C1NC(=S)S/C1=C\c1ccccc1Sc1ccccc1	1084288	JKMZRSXVUSYMEQ-UVTDQMKNSA-N	329.471	4.327	10	40	EICB	
CCn1c(/C=C/c2c[nH]c3ccc(OC)cc23)nc2ccccc2c1=O	5500788	AIWKEJVEICOYAY-DHZHZOJOSA-N	345.402	4.077	10	40	EICB	
Cc1ccc(-c2ccc(CCC(=O)O)n2-c2cccc(C(=O)O)c2)cc1	559547	YBKYGBLZJWTBLO-UHFFFAOYSA-N	349.386	4.168	10	40	EICB	
COc1ccc2ccc(O)c(CN3CCc4sccc4C3)c2c1	14309886	HNYCOLWGKCMPFQ-UHFFFAOYSA-N	325.433	4.174	10	40	EICB	
CCCCc1ccc(NC=C2C(=O)OC3(CCCCC3)OC2=O)cc1	100590826	ZESPVQSIDLSOIN-UHFFFAOYSA-N	343.423	4.085	10	40	EICB	
C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)Cc3cccs3)cc2)C1	260813184	QHOLZBNBIWQFJU-HOTGVXAUSA-N	342.508	4.404	10	40	EICB	
Cc1cccc(N2C(=O)/C(=C\c3ccco3)N=C2c2ccccc2)c1	408759149	YSFNSWKTXGQASO-XMHGGMMESA-N	328.371	4.423	10	40	EICB	
CC[C@H](C)N1C(=O)S/C(=C/c2ccc(N(CC)CC)cc2O)C1=O	409018629	HXEBBHLEZGMYNJ-SEJMYLSOSA-N	348.468	4.073	10	40	EICB	
Oc1ccc(Cl)cc1CNCc1cccc(Br)c1	40477046	OBMPIRAWMCSZFT-UHFFFAOYSA-N	326.621	4.098	10	40	EICB	
Cc1cc2c(cc1/C=C1/SC(=O)N(C)C1=O)[C@H](C)CC(C)(C)N2C	208233512	TZWJUMGIITYULQ-GFQQVXNGSA-N	344.480	4.383	10	40	EICB	
Cc1cc(C(=O)CN2CCC(C)CC2)c(C)n1-c1ccc(F)cc1	38234	JZCVNTHDAGQJFQ-UHFFFAOYSA-N	328.431	4.148	10	40	EICB	
COc1ccc(OC)c(/C=C2\SC(c3ccc(C)cc3)=NC2=O)c1	4714474	CYVSPICIGBHXOG-BOPFTXTBSA-N	339.416	4.073	10	40	EICB	
O=C(c1cccs1)c1coc2ccc(O)c(CN3CCCCC3)c12	19830690	PEDQWDLNCXEXQQ-UHFFFAOYSA-N	341.432	4.417	10	40	EICB	
COc1ccc(/C=C2/SC(Nc3ccc(C)cc3C)=NC2=O)cc1	33909107	QIAAROBFSSEYAQ-GZTJUZNOSA-N	338.432	4.394	10	40	EICB	
O=C1OC(c2ccc(Br)cc2)=C/C1=C/c1ccccc1O	408723468	VKIFGPINOXGRMY-LCYFTJDESA-N	343.176	4.136	10	40	EICB	
CC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1[N+](=O)[O-])N2	264269	VNKSNXSXZRIHGM-BXTJHSDWSA-N	349.390	4.380	10	40	EICB	
CCn1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c2ccccc21	5333775	CMYHEUXOUNUQGH-UYRXBGFRSA-N	329.403	4.467	10	40	EICB	
CN(CCCNC(=S)Nc1cccc(Cl)c1)c1ccccc1	16243529	PMFWTVZJLOLZTC-UHFFFAOYSA-N	333.888	4.153	10	40	EICB	
CCCc1cc(=O)oc2c(CN3CCCCC3)c(O)c(Cl)cc12	20267580	HODUTTCWKJIMSS-UHFFFAOYSA-N	335.831	4.090	10	40	EICB	
COCCCC(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12	48354186	FCDNZRUVEHFQRM-JOCHJYFZSA-N	349.430	4.178	10	40	EICB	
O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccn1)N2	409158460	YETDJPUNZIHBGL-BWACUDIHSA-N	327.771	4.470	10	40	EICB	
O=C1c2ccccc2N[C@H](c2ccc(N3CCCCC3)cc2)N1C1CC1	7886188	FMXYZOFJRCEVLE-NRFANRHFSA-N	347.462	4.406	10	40	EICB	
CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F	77258336	XLYXBMFXXPVPQM-LSDHHAIUSA-N	349.352	4.173	10	40	EICB	
O=C1/C(=C\c2ccco2)N=C(c2ccccc2F)N1c1ccccc1	408765836	QOEJIRQYSNEGNJ-QGOAFFKASA-N	332.334	4.253	10	40	EICB	
COc1ccc(Cl)cc1/N=N/c1c(N)nn(-c2ccccc2)c1N	4834563	JUNCJLNYAAGKJO-QZQOTICOSA-N	342.790	4.114	10	40	EICB	
CN(Cc1cnn(-c2ccccc2)c1)Cc1c(O)ccc2ccccc12	8187523	FVPQHOLZHFWZEA-UHFFFAOYSA-N	343.430	4.363	10	40	EICB	
C/C(NC1CCCC1)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1	17072023	KEUXGRHTRLPWMU-SILNSSARSA-N	345.446	4.244	10	40	EICB	
CCCCOC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	35686172	SPDDEPJPSMQYHF-UHFFFAOYSA-N	342.778	4.072	10	40	EICB	
Cc1ccccc1NC1=NC(=O)/C(=C/c2ccc(O)c(Cl)c2)S1	72042039	BLSNJHZHKDXSGB-DHDCSXOGSA-N	344.823	4.436	10	40	EICB	
Cc1cc(C(=O)O)c(C)n1-c1ccc(Br)cc1Cl	37392079	VBATUOXXWUGGOL-UHFFFAOYSA-N	328.593	4.208	10	40	EICB	
Nc1nc(O)c(/N=N/c2ccccc2)c(NCCCc2ccccc2)n1	17040212	ZDQIQKORMYKGGH-OCOZRVBESA-N	348.410	4.225	10	40	EICB	
Nc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1	19736186	RHDLYTOJGQWIEV-UHFFFAOYSA-N	339.222	4.373	10	40	EICB	
Cc1cccc(C)c1NC(=O)CSc1nc2cc(F)c(F)cc2[nH]1	25053632	HYKYGHZCJLVPGS-UHFFFAOYSA-N	347.390	4.189	10	40	EICB	
CCc1ccc(NC2=NC(=O)/C(=C\c3ccc(OC)cc3)S2)cc1	35042504	QFBGINAIZZUZIV-SFQUDFHCSA-N	338.432	4.340	10	40	EICB	
CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(N(CC)CC)cc2O)C1=O	409018626	HXEBBHLEZGMYNJ-HMHNVIDESA-N	348.468	4.073	10	40	EICB	
O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccncc1)N2	409153568	MCKZPARZWHIPCC-IOASZLSFSA-N	327.771	4.470	10	40	EICB	
Cc1ccccc1N/C=C1/SC(=S)N(c2ccc(F)cc2)C1=O	4109031	FDCWTAUDKQJFDA-XNTDXEJSSA-N	344.436	4.452	10	40	EICB	
O=C(O)c1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@H](c1ccccn1)N2	4168296	UOOMRAKLNOZSDI-LYOVBCGYSA-N	326.783	4.260	10	40	EICB	
COc1ccc(N/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C)cc1	5327836	XQUSJTWJDVSOEM-BOPFTXTBSA-N	341.798	4.067	10	40	EICB	
CSC(=S)n1nc(C)c(/N=N\c2ccccc2[N+](=O)[O-])c1C	104223400	QPBXPFRYXCVYHO-PFONDFGASA-N	335.414	4.320	10	40	EICB	
CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccccc1C(F)(F)F	100148561	RAWPFDXIHJPMLL-KAMYIIQDSA-N	345.324	4.424	10	40	EICB	
Cc1cccc(N2C(=O)/C(=C/c3ccncc3)SC2=S)c1C	1835799	RHXVXUWXDWCMFP-GDNBJRDFSA-N	326.446	4.104	10	40	EICB	
O=C(O)[C@H]1[C@H]2CC=C[C@@H]2c2c3c(cc4ccccc24)[C@H]2C=CC[C@@H]2CN31	4797528	MQUABYFVEIZLIJ-YFTJQFAHSA-N	343.426	4.446	10	40	EICB	
COc1ccc(N2CCO[C@@H]2c2ccn(-c3cccc(C)c3)c2)cc1	216726071	ANRUPWXBRFYBPR-OAQYLSRUSA-N	334.419	4.330	10	40	EICB	
COc1ccccc1N1C(=O)/C(=C\c2ccccc2F)SC1=S	57555141	OFOFQNNGFHBXFV-XNTDXEJSSA-N	345.420	4.240	10	40	EICB	
COc1cccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)c1	59457429	YGBYCKOPNYPIGS-DHDCSXOGSA-N	345.420	4.240	10	40	EICB	
CCN(CC)c1ccc(CNC(=O)CSc2ccc(C)cc2)cc1	223214217	XTUUSMMLHJKCGH-UHFFFAOYSA-N	342.508	4.250	10	40	EICB	
COc1ccc(N2C(=O)/C(=C/c3ccccc3C)SC2=S)cc1	1188319	IGBIMQSTTDDDLO-WJDWOHSUSA-N	341.457	4.409	10	40	EICB	
CSCC[C@@H](Nc1c2ccccc2nc2ccccc12)C(=O)O	5298452	LLLRABBEOQIEED-MRXNPFEDSA-N	326.421	4.006	10	40	EICB	
CCc1cccc(CC)c1NC(=O)NCc1ccc(N(C)C)cc1	40023974	KQGDDEGTRVVYMI-UHFFFAOYSA-N	325.456	4.199	10	40	EICB	
COc1ccccc1/C=C1\SC(=S)N(c2ccccc2)C1=O	13712430	VBTFTHFZVRDFEN-PTNGSMBKSA-N	327.430	4.101	10	40	EICB	
CCc1ccc(NC2=NC(=O)/C(=C\c3ccccc3OC)S2)cc1	35042486	CHARTXBZIIEMQF-SFQUDFHCSA-N	338.432	4.340	10	40	EICB	
Cc1oc(-c2ccccc2)nc1CN1CCOc2cc(N(C)C)ccc21	72308889	CAAGBSVWLXIXGU-UHFFFAOYSA-N	349.434	4.115	10	40	EICB	
CCN1C(=O)C(=C2C=C(C)N(Cc3ccco3)C(C)=C2)SC1=S	584906233	IJDGOGHVJAOSGP-UHFFFAOYSA-N	346.477	4.037	10	40	EICB