smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCOc1ccc(S(=O)(=O)Cl)cc1NC(=O)N1CCCCC1	95698123	BKEVUMPENNSYNG-UHFFFAOYSA-N	346.836	3.031	70	40	EGIB	
COc1ccc(CCCNC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1	218698659	XPJCLDIBONZICY-CQSZACIVSA-N	331.387	3.351	70	40	EGIB	
O=C(Nc1cccs1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1	217817797	SPXTXFGEPBBYJO-LLVKDONJSA-N	332.429	3.495	70	40	EGIB	
O=S(=O)(Oc1ccc(Cl)c(Br)c1)C(F)(F)F	245482516	OZAGSLVELAOJTI-UHFFFAOYSA-N	339.516	3.331	70	40	EGIB	
COc1ccc(O[C@@H](C)C(=O)NCCCc2ccc(F)cc2)cc1	218749050	QIMJZRPJDPGNAJ-AWEZNQCLSA-N	331.387	3.351	70	40	EGIB	
CN1CCC(CCNC(=O)c2ccc(CN3CCCCC3)cc2)CC1	216944874	XPWHLYUVYJJARP-UHFFFAOYSA-N	343.515	3.134	70	40	EGIB	
CN1C(=O)CS[C@H]1c1ccn(-c2ccccc2Br)c1	216706405	DWXCRPANWSWTSN-AWEZNQCLSA-N	337.242	3.444	70	40	EGIB	
Cc1ccc(CN2CCO[C@@H]2c2cn(Cc3ccccc3C)nn2)cc1	216773674	URSDSAXQOXKPIB-OAQYLSRUSA-N	348.450	3.474	70	40	EGIB	
CCOc1cccc(-n2ccc([C@H]3SCC(=O)N3CCOC)c2)c1	216680624	TYAKUCFCVNRNCY-GOSISDBHSA-N	346.452	3.096	70	40	EGIB	
CN1CCC[C@H](C(=O)NCCSCc2c(F)cccc2Cl)C1	216907695	LNAIVOKBWYZJFJ-LBPRGKRZSA-N	344.883	3.170	70	40	EGIB	
Cc1ccc(CSCC(=O)NCCN(C)c2ccccc2)cc1	218021856	NGHPOSAIFIKKOP-UHFFFAOYSA-N	328.481	3.481	70	40	EGIB	
Cc1ccc(CN2CCO[C@H]2c2cn(Cc3cccc(C)c3)nn2)cc1	216773825	LYESHPQMFFKNIK-NRFANRHFSA-N	348.450	3.474	70	40	EGIB	
CN(Cc1cccnc1)Cc1nc2cc(Br)ccc2[nH]1	161020404	FFNCHEORFKWGHA-UHFFFAOYSA-N	331.217	3.352	70	40	EGIB	
CC(C)Oc1ccc(S(=O)(=O)Cl)cc1C(=O)N1CCCCC1	103612887	OIRDNGBFKPTFRU-UHFFFAOYSA-N	345.848	3.027	70	40	EGIB	
CCOC(=O)c1ccc(NC(=O)CC2CCN(C)CC2)cc1Cl	216902680	NHBQRSRGVBRLJB-UHFFFAOYSA-N	338.835	3.187	70	40	EGIB	
CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCOc1ccc(C)cc1	218755878	LBKJUIMEPBXAOH-LJQANCHMSA-N	343.423	3.356	70	40	EGIB	
COc1ccccc1C(=O)N1CCC[C@H](Cc2nc(C3CC3)no2)C1	217807657	BKPHYMGZGCRLAH-CYBMUJFWSA-N	341.411	3.051	70	40	EGIB	
C[C@H]1[C@H](c2ccccc2)O[B-](c2ccccc2)(c2ccccc2)N1C	195772977	SFIQEHFTNZMTTP-PGRDOPGGSA-N	328.244	3.335	70	40	EGIB	
O=C(c1ccco1)N1CCC[C@H](c2nnc(-c3ccccc3F)o2)C1	216645504	RFNFOYSDODAQJP-LBPRGKRZSA-N	341.342	3.489	70	40	EGIB	
Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCC2CCN(C)CC2)c1	217024388	DHEWSTMUYIIMCE-QGZVFWFLSA-N	332.488	3.227	70	40	EGIB	
COc1ccc(/C=C/C(=O)N[C@H](C)COc2ccc(OC)cc2)cc1	217917543	ZXZCWYDOGYJHMO-MRHLJLSQSA-N	341.407	3.301	70	40	EGIB	
Fc1ccc(Cn2cc([C@@H]3OCCN3c3ccc(F)cc3)nn2)cc1	216770702	YVMONFZCNXRUQX-SFHVURJKSA-N	342.349	3.140	70	40	EGIB	
CSc1cccc(Nc2cc(N3CCN(C)CC3)nc(C)n2)c1	216850101	JRVZWGIFXQTILW-UHFFFAOYSA-N	329.473	3.002	70	40	EGIB	
c1cc(OC2CCCC2)ncc1CNC1CCC2(CC1)OCCO2	161311115	QZWWCGLWHGNQRP-UHFFFAOYSA-N	332.444	3.178	70	40	EGIB	
CC[C@@H](Oc1cccc2ccccc12)C(=O)NC1CCN(C)CC1	217027405	RENXGIZAENXVCO-GOSISDBHSA-N	326.440	3.208	70	40	EGIB	
Cc1ccc(CN2CCO[C@H]2c2cn(Cc3ccccc3C)nn2)cc1	216773719	URSDSAXQOXKPIB-NRFANRHFSA-N	348.450	3.474	70	40	EGIB	
O=C(NCCSC1CCOCC1)NCc1ccc(Cl)cc1	217707955	BHYWUPHFLXIPSL-UHFFFAOYSA-N	328.865	3.051	70	40	EGIB	
CCOc1ccc(NC(=O)N2CCCCC2)cc1S(=O)(=O)Cl	95698124	RAWPRYZXTOLPJD-UHFFFAOYSA-N	346.836	3.031	70	40	EGIB	
CCOC(=O)/C=C(\Nc1ccc(S(=O)(=O)F)cc1)c1ccccc1	104136480	GFSFCFPXSSPRDI-VBKFSLOCSA-N	349.383	3.361	70	40	EGIB	
Cc1noc(-c2ccsc2NC(=O)CCc2c(C)noc2C)n1	217647439	OHKIPHDDHYHHEX-UHFFFAOYSA-N	332.385	3.283	70	40	EGIB	
Cc1ccc([C@@H](C)NC(=O)c2ccccc2NS(C)(=O)=O)cc1C	218397899	BBPCHWPHAXMALG-CQSZACIVSA-N	346.452	3.166	70	40	EGIB	
CCc1ccc(N2CCO[C@H]2c2cn(Cc3ccccc3)nn2)cc1	216767971	YRWIVCDCIMDGQM-FQEVSTJZSA-N	334.423	3.424	70	40	EGIB	
Cc1ccc(N2CCO[C@@H]2c2cn(Cc3cccc(C)c3)nn2)cc1	216760705	NDLWBNLHKGCDHS-HXUWFJFHSA-N	334.423	3.479	70	40	EGIB	
CC[C@@H](C(=O)NCCn1ccnc1-c1cccnc1)c1ccccc1	217867437	CWOGULGGYPSOPG-GOSISDBHSA-N	334.423	3.255	70	40	EGIB	
Cc1cc(C)c(S(=O)(=O)NCC[C@@H](O)c2ccsc2)cc1C	217536638	NSCPDKWAHWBOOO-OAHLLOKOSA-N	339.482	3.075	70	40	EGIB	
CSc1nc(Nc2ccc(C)cc2C)cc(N2CCN(C)CC2)n1	216850718	GEVYBQSMHNCWPJ-UHFFFAOYSA-N	343.500	3.311	70	40	EGIB	
O=C(/C=C/c1ccco1)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1	217654246	YHNCRJWPRURINK-ROJDOSBLSA-N	334.379	3.025	70	40	EGIB	
Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccn2nccc2c1	217956854	PSOVCIZPTZJUIH-UHFFFAOYSA-N	335.342	3.126	70	40	EGIB	
CCCN(C[C@H]1CCCCO1)C(=O)Nc1ccc([S@](C)=O)cc1	161124356	LWBONVVACYGPAP-IQMFZBJNSA-N	338.473	3.237	70	40	EGIB	
CC[C@@H](NC(=O)CC1CCN(C)CC1)c1ccc(OC)c(OC)c1	216905337	SLJDYUNDYCJQBX-MRXNPFEDSA-N	334.460	3.003	70	40	EGIB	
COc1ccccc1-c1nnc([C@H]2CCCN(C(=O)C(C)C)C2)o1	216662985	RHAWPMQVYRWRKE-ZDUSSCGKSA-N	329.400	3.107	70	40	EGIB	
O=C(/C=C/c1ccc2c(c1)OCO2)NCCCc1ccc(F)cc1	217928042	XMSDDIVQRZMZBO-UXBLZVDNSA-N	327.355	3.317	70	40	EGIB	
COC(=O)c1ccc(C(=O)Nc2sccc2-c2nc(C)no2)cc1	217647548	URWCZRDEWGJHEQ-UHFFFAOYSA-N	343.364	3.145	70	40	EGIB	
O=C(c1ccco1)N1CCC[C@@H](c2nnc(-c3ccc(F)cc3)o2)C1	216643188	FLBTUTUMQRIZNF-CYBMUJFWSA-N	341.342	3.489	70	40	EGIB	
Cc1nc(Nc2cccc3ccccc23)cc(N2CCN(C)CC2)n1	216848728	CPTBENNWYLMJHN-UHFFFAOYSA-N	333.439	3.434	70	40	EGIB	
CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCN(C)c1ccccc1	218756299	DRBBRTHLYDBHEZ-LJQANCHMSA-N	342.439	3.105	70	40	EGIB	
CCc1ccc(N2CCO[C@@H]2c2cn(Cc3ccccc3)nn2)cc1	216767926	YRWIVCDCIMDGQM-HXUWFJFHSA-N	334.423	3.424	70	40	EGIB	
CC(C)Cn1c(=O)n(CC(C)C)c2cc(S(=O)(=O)Cl)ccc21	222647066	CJGAKPOIVYTUBS-UHFFFAOYSA-N	344.864	3.043	70	40	EGIB	
Cc1cc(C(=O)N2CCC[C@H](Cc3nc(C4CC4)no3)C2)c(C)o1	217811033	XTCPZXIURCJTTD-CYBMUJFWSA-N	329.400	3.252	70	40	EGIB	
CCc1ccc(-n2ccc([C@H]3SCC(=O)N3CCOC)c2)cc1	216679855	NKPGAPVSVYXAIO-GOSISDBHSA-N	330.453	3.260	70	40	EGIB	
CC[C@H](C)NC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C	216890374	YXBKUABCJPTDPH-LBPRGKRZSA-N	344.436	3.020	70	40	EGIB	
CC(C)(C)c1ccc(NC(=O)NCC[C@H](O)C2CCOCC2)cc1	217929787	RZHVUWKLNTZADW-KRWDZBQOSA-N	334.460	3.283	70	40	EGIB	
COc1ccccc1N1CCN(Cc2csc(C3CC3)n2)CC1	161247157	PCDVISQPTJGQRN-UHFFFAOYSA-N	329.469	3.351	70	40	EGIB	
CN1CCC[C@@H](C(=O)NCCCSc2ccc(Cl)cc2)C1	216916384	HSQJOEFCAPVKAR-CYBMUJFWSA-N	326.893	3.280	70	40	EGIB	
O=S(=O)(Oc1ccc(Cl)cc1Br)C(F)(F)F	245482539	PJLFRQJCBMALJB-UHFFFAOYSA-N	339.516	3.331	70	40	EGIB	
CC[C@H](NC(=O)CC1CCN(C)CC1)c1ccc(OC)c(OC)c1	216905375	SLJDYUNDYCJQBX-INIZCTEOSA-N	334.460	3.003	70	40	EGIB	
CCOc1ccc(-c2noc(C(C)C)n2)cc1S(=O)(=O)Cl	59826093	CDUUAENBAUCHCM-UHFFFAOYSA-N	330.793	3.186	70	40	EGIB	
Cc1c(Cl)cccc1S(=O)(=O)NCC[C@H](O)c1ccsc1	217537513	UQBIBGOTNHJPKN-ZDUSSCGKSA-N	345.873	3.112	70	40	EGIB	
CN1CCC[C@@H](C(=O)NCCCSCc2ccccc2Cl)C1	216916839	DJFOGBKYSBSFDQ-CQSZACIVSA-N	340.920	3.421	70	40	EGIB	
COC(=O)c1cn(C(=O)COc2ccccc2F)c2ccccc12	218742254	YHIWILJAHDYBNO-UHFFFAOYSA-N	327.311	3.286	70	40	EGIB	
COc1ccc([C@H]2SCCN2C(=O)Cc2c(C)noc2C)cc1	217628775	SOAIPFRCCKFWAS-QGZVFWFLSA-N	332.425	3.117	70	40	EGIB	
CCOc1ccc(S(=O)(=O)Cl)cc1-c1noc(C(C)(C)C)n1	59825959	GRAJJYLFIBAKFZ-UHFFFAOYSA-N	344.820	3.360	70	40	EGIB	
O=C1CCc2cc(S(=O)(=O)Cl)ccc2N1CC1CCCC1	218799291	ZKUVAORXQTVGGS-UHFFFAOYSA-N	327.833	3.084	70	40	EGIB	
Clc1ccccc1Cn1cc([C@H]2OCCN2Cc2ccco2)nn1	216779831	PKZZTCJFRLQQBD-QGZVFWFLSA-N	344.802	3.104	70	40	EGIB	
O=C(Nc1cnn(CC2CCOCC2)c1)c1cc2ccccc2o1	218215573	QQAISAXWCAVEEB-UHFFFAOYSA-N	325.368	3.308	70	40	EGIB	
Cc1ccc([C@@H](C)NC(=O)c2cccc(NS(C)(=O)=O)c2)cc1C	218568386	JHHGODHKNIVLLK-CQSZACIVSA-N	346.452	3.166	70	40	EGIB	
COc1ccc(OCC(=O)NCCCc2ccccc2Cl)cc1	217839154	UGXGEYGVYVNDLP-UHFFFAOYSA-N	333.815	3.476	70	40	EGIB	
C[C@H](O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1	160956896	JQSFZWGXNXBWSR-LBPRGKRZSA-N	331.865	3.044	70	40	EGIB	
Cc1ccc(N2CCO[C@H]2c2cn(Cc3ccccc3F)nn2)cc1	216761315	YVHFBHAPMFCAAL-IBGZPJMESA-N	338.386	3.309	70	40	EGIB	
COC(=O)c1scc(-c2ccc(F)cc2)c1S(=O)(=O)Cl	100027236	AHUFETFIGSYVNZ-UHFFFAOYSA-N	334.777	3.268	70	40	EGIB	
COc1ccc(OC[C@@H](C)NC(=O)CSc2ccccc2)cc1	217971091	MAHFZJPQWQJAJE-CQSZACIVSA-N	331.437	3.371	70	40	EGIB	
O=C(NCCSC1CCOCC1)c1ccccc1Br	217707132	YVOCMEGRCDAWKO-UHFFFAOYSA-N	344.274	3.091	70	40	EGIB	
COc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)Oc2cccc(C)c2)cc1	218684736	YYXJENULFKWLIR-HZPDHXFCSA-N	343.423	3.355	70	40	EGIB	
Cc1ccc(OCC(=O)n2c(C)c(C(N)=O)c3ccccc32)c(C)c1	216727842	ZQRVLEKUJDPREI-UHFFFAOYSA-N	336.391	3.385	70	40	EGIB	
CCOc1ccc(S(=O)(=O)Cl)cc1NC(=O)c1ccccc1	110167143	QFSWCSQCEURXKQ-UHFFFAOYSA-N	339.800	3.265	70	40	EGIB	
O=C(NC[C@H]1CCCN1c1nccs1)c1cc2ccccc2[nH]1	217759584	MEBISRRWJYISEV-CYBMUJFWSA-N	326.425	3.023	70	40	EGIB	
COc1ccc(CSCC(=O)NCCOc2ccc(C)cc2)cc1	218113344	FSHZZRJAXDVPQS-UHFFFAOYSA-N	345.464	3.432	70	40	EGIB	
C[C@](O)(CNC(=O)Cc1ccc(F)cc1)c1cc2ccccc2o1	217985117	SYUWCGKKFYNECD-IBGZPJMESA-N	327.355	3.138	70	40	EGIB	
COc1ccccc1/C=C/C(=O)NCc1nc(-c2ccc(C)cc2)no1	217968619	QOHXQXZLGXXVOR-VAWYXSNFSA-N	349.390	3.383	70	40	EGIB	
Cc1ccc(Cn2cc([C@H]3OCCN3c3ccc(F)cc3)nn2)cc1	216770167	LFZGDCMANPNYSY-LJQANCHMSA-N	338.386	3.309	70	40	EGIB	
O=C(NCCn1ccnc1-c1ccccn1)c1ccc(Cl)s1	217862092	ILFRAGAOCNWLSN-UHFFFAOYSA-N	332.816	3.090	70	40	EGIB	
COCCN1C(=O)CS[C@@H]1c1ccn(-c2ccc(Cl)cc2)c1	216678668	MUGKYTLRGDUNKA-MRXNPFEDSA-N	336.844	3.351	70	40	EGIB	
O=C(/C=C/c1ccco1)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1	217654325	YHNCRJWPRURINK-FDMDGMSGSA-N	334.379	3.025	70	40	EGIB	
C[C@@](O)(CNC(=O)c1c(F)cccc1F)c1cc2ccccc2o1	217985640	HIOHVEJKAPRCOG-GOSISDBHSA-N	331.318	3.349	70	40	EGIB	
O=C(NCc1ccc(S(=O)(=O)Cl)cc1)c1cc2ccccc2o1	100038143	QBQBUBYNJWCQOY-UHFFFAOYSA-N	349.795	3.290	70	40	EGIB	
CCN(CC)C(=O)Nc1cc(Br)c(OC)cc1OC	161076063	ZWRFDEKXCSZHSD-UHFFFAOYSA-N	331.210	3.340	70	40	EGIB	
Cc1ccc(Cn2cc([C@H]3OCCN3Cc3ccccc3)nn2)cc1	216772125	KCQIPYOVHGHVEN-HXUWFJFHSA-N	334.423	3.166	70	40	EGIB	
Cc1cccc(CC(=O)N2CC[C@@H](n3cc(-c4ccccc4)nn3)C2)c1	217655479	QPXOSJZSHYPNEH-LJQANCHMSA-N	346.434	3.270	70	40	EGIB	
O=C(/C=C/c1ccccc1)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1	217655207	AGKXJDBTCLPYOW-CVTTXWKISA-N	344.418	3.432	70	40	EGIB	
Cc1ccc([C@@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1C	218403209	WVYCKKJIAFPJEJ-CQSZACIVSA-N	346.452	3.166	70	40	EGIB	
Cc1ccc(CN2CCO[C@@H]2c2cn(Cc3ccccc3)nn2)cc1	216773566	URZWWDSJNNYJIR-HXUWFJFHSA-N	334.423	3.166	70	40	EGIB	
O=C1NCCN1C(=O)N1CCS[C@H]1c1ccc(Cl)c(Cl)c1	217642344	XYQUTAGNNSLFFM-NSHDSACASA-N	346.239	3.186	70	40	EGIB	
Cc1noc(C)c1CC(=O)NC[C@](C)(O)c1cc2ccccc2s1	217507073	RCNAVSPYWXELAJ-SFHVURJKSA-N	344.436	3.073	70	40	EGIB	
CCc1ccc([C@@H]2[C@@H](C(N)=S)[C@@H]2S(=O)(=O)c2ccccc2)cc1	218616810	SDPKDTJNWJCDHA-BRWVUGGUSA-N	345.489	3.091	70	40	EGIB	
COc1cccc(CC(=O)NC[C@](C)(O)c2cc3ccccc3o2)c1	217986651	AKCHIAHPCROYBD-FQEVSTJZSA-N	339.391	3.008	70	40	EGIB	
COc1ccc(CCCNC(=O)COc2cc(C)cc(C)c2)cc1	218692499	VQGLFVOCQZDAMN-UHFFFAOYSA-N	327.424	3.440	70	40	EGIB	
O=C(c1ccccc1F)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1	217654420	DZJKUBRMCXZADC-OAHLLOKOSA-N	336.370	3.171	70	40	EGIB	
COc1ccc(OC[C@H](C)NC(=O)COc2cc(C)cc(C)c2)cc1	218692676	PTBFMUFOQVSRAZ-INIZCTEOSA-N	343.423	3.275	70	40	EGIB	
COc1ccc(OC[C@H](C)NC(=O)/C=C/c2ccc(F)cc2)cc1	217911404	MYXZAMPEZKHVEP-CLUXPMKYSA-N	329.371	3.431	70	40	EGIB	
CCCc1noc(-c2cc(S(=O)(=O)Cl)ccc2OCC)n1	59825992	NPOJQKJLEGBNRF-UHFFFAOYSA-N	330.793	3.015	70	40	EGIB	
CCOc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(C)C2)cc1OCC	216911810	PCFMBFCWGROVOR-GDBMZVCRSA-N	334.460	3.003	70	40	EGIB	
O=C(NC[C@@H]1CCCN1c1nccs1)c1cc2ccccc2[nH]1	217759511	MEBISRRWJYISEV-ZDUSSCGKSA-N	326.425	3.023	70	40	EGIB	
CCOc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(C)C2)cc1OCC	216911838	PCFMBFCWGROVOR-GOEBONIOSA-N	334.460	3.003	70	40	EGIB	
COc1ccc(OC)c([C@@H](O)CNC(=O)c2ccc(Cl)cc2C)c1	160187409	PKJJKUKYIFCJKP-INIZCTEOSA-N	349.814	3.129	70	40	EGIB	
CCCCOCc1c(S(=O)(=O)Cl)cnn1CCC(F)(F)F	408716535	NYQMZTWYYVBGJF-UHFFFAOYSA-N	348.774	3.080	70	40	EGIB	
O=C(c1ccccc1F)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1	217654496	DZJKUBRMCXZADC-HNNXBMFYSA-N	336.370	3.171	70	40	EGIB	
Cc1ccc(N2CCO[C@@H]2c2cn(Cc3ccccc3F)nn2)cc1	216761264	YVHFBHAPMFCAAL-LJQANCHMSA-N	338.386	3.309	70	40	EGIB	
COc1ccccc1CCCNC(=O)COc1ccc(C)c(C)c1	218720070	QZOAMQZPIUHRPT-UHFFFAOYSA-N	327.424	3.440	70	40	EGIB	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCC1CCN(C)CC1	217014447	UNAMWIOPSSKJBE-MRXNPFEDSA-N	340.467	3.455	70	40	EGIB	
CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCC1CCN(C)CC1	217028404	WPSXVNXTDUKLED-GOSISDBHSA-N	332.488	3.309	70	40	EGIB	
O=C(N[C@H]1CCN(c2ccccn2)C1)C1(c2cccs2)CCCC1	218082930	LIKLDGYAPPBPLR-HNNXBMFYSA-N	341.480	3.350	70	40	EGIB	
CCOc1cc(-c2nnc(N)o2)ccc1OCc1ccc(F)cc1	216823305	DJSRQMKZCBGSQM-UHFFFAOYSA-N	329.331	3.436	70	40	EGIB	
Cc1ccc(N2CCO[C@@H]2c2cn(Cc3ccc(F)cc3)nn2)cc1	216761376	GSDLTIPBHALIPZ-LJQANCHMSA-N	338.386	3.309	70	40	EGIB	
COc1ccc(S(=O)(=O)Cl)cc1NC(=O)C1CCCCC1	59095522	YBUVVNPJCVMDGV-UHFFFAOYSA-N	331.821	3.142	70	40	EGIB	
COc1ccc(OC[C@@H](C)NC(=O)CCCOc2ccccc2)cc1	218725249	OKWHKAOSMDKVHN-MRXNPFEDSA-N	343.423	3.438	70	40	EGIB	
CCOc1ccccc1-n1ccc([C@H]2SCC(=O)N2CCOC)c1	216680518	UGKKUZRGTCGPQK-GOSISDBHSA-N	346.452	3.096	70	40	EGIB	
Cc1ccccc1OC[C@H](C)NC(=O)[C@H](C)Oc1ccc(F)cc1	218700736	XFDLIESELTYSAY-GJZGRUSLSA-N	331.387	3.485	70	40	EGIB	
Cc1ccc(OC[C@H](C)NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1	217929736	SWPSCZWQYITFMR-WGPYJDKQSA-N	339.391	3.321	70	40	EGIB	
O=C(/C=C\c1ccccc1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1	217808726	AKBSZBSTESKPDJ-CLOOOTJHSA-N	337.423	3.442	70	40	EGIB	
CN1CCC(C(=O)NCCSCc2ccccc2Cl)CC1	216919637	DVLYEVHQFHNGMD-UHFFFAOYSA-N	326.893	3.031	70	40	EGIB	
Cc1nc(Nc2ccc(C)c(Cl)c2)cc(N2CCN(C)CC2)n1	216849219	LCRXKLSCRZWDCX-UHFFFAOYSA-N	331.851	3.242	70	40	EGIB	
COc1ccccc1-c1nnc([C@@H]2CCCN(C(=O)C(C)C)C2)o1	216662940	RHAWPMQVYRWRKE-CYBMUJFWSA-N	329.400	3.107	70	40	EGIB	
O=C(NC[C@@H]1CCCN(c2nccs2)C1)c1ccc(F)c(F)c1	218117253	YFQKZEPCSQNHAY-NSHDSACASA-N	337.395	3.068	70	40	EGIB	
COc1cccc(-c2nnc(C3CCN(C(=O)C(C)C)CC3)o2)c1	216640440	WKAADJDIEYYXGK-UHFFFAOYSA-N	329.400	3.107	70	40	EGIB	
O=C(N[C@@H]1CCN(c2ccccn2)C1)C1(c2cccs2)CCCC1	218083012	LIKLDGYAPPBPLR-OAHLLOKOSA-N	341.480	3.350	70	40	EGIB	
O=S(=O)(Cl)c1cc(Br)cc(OC(F)(F)F)c1	103624827	QUHVGVFZSYAZRX-UHFFFAOYSA-N	339.516	3.275	70	40	EGIB	
COc1ccc(-c2nnc(C3CCN(C(=O)C(C)C)CC3)o2)cc1	216640647	GIAANYBDETYUAO-UHFFFAOYSA-N	329.400	3.107	70	40	EGIB	
CON(Cc1ccccc1)C(=O)Nc1ccc([S@](C)=O)c(F)c1	161149035	DRKGIQBFKNGVBE-HSZRJFAPSA-N	336.388	3.159	70	40	EGIB	
COC(=O)c1sc2cccc(Cl)c2c1S(=O)(=O)Cl	110753025	KZIQAEOHPZRNQN-UHFFFAOYSA-N	325.194	3.269	70	40	EGIB	
CCCC(=O)N1CCC(c2nnc(-c3ccc(OC)cc3)o2)CC1	216636491	PRELLOOTXFXOBO-UHFFFAOYSA-N	329.400	3.251	70	40	EGIB	
O=C(Cc1ccccc1Cl)NC[C@H]1CCCN1c1nccs1	217730736	MLPXXUINNCXXBQ-CYBMUJFWSA-N	335.860	3.124	70	40	EGIB	
CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCC1CCN(C)CC1	217028444	WPSXVNXTDUKLED-SFHVURJKSA-N	332.488	3.309	70	40	EGIB	
COc1ccc(OC[C@@H](C)NC(=O)[C@H](C)Oc2cccc(C)c2)cc1	218684896	YYXJENULFKWLIR-CVEARBPZSA-N	343.423	3.355	70	40	EGIB	
O=C(NCC1(c2ccsc2)CCCC1)C(=O)Nc1ccccc1	217484778	XOFRLFIBRDWYNL-UHFFFAOYSA-N	328.437	3.315	70	40	EGIB	
CCOc1ccc(-n2ccc([C@@H]3SCC(=O)N3CCOC)c2)cc1	216679696	NCLNXCUYPILWQO-SFHVURJKSA-N	346.452	3.096	70	40	EGIB	
O=C(/C=C/c1cccs1)N1CC(n2cc(-c3ccccc3)nn2)C1	217670940	JSTWILWTOWWYDJ-CMDGGOBGSA-N	336.420	3.103	70	40	EGIB	
Cc1cc(C(=O)N(Cc2cc(C3CC3)n(C)n2)C2CCCC2)no1	217899943	YOYYUMLGDKKKNL-UHFFFAOYSA-N	328.416	3.179	70	40	EGIB	
Cc1ccccc1CSCC(=O)NCCN(C)c1ccccc1	218015233	SXUPYSUGKXJIBV-UHFFFAOYSA-N	328.481	3.481	70	40	EGIB	
CCOC(=O)/C=C(/Nc1ccc(S(=O)(=O)F)cc1)c1ccccc1	104136477	GFSFCFPXSSPRDI-FOWTUZBSSA-N	349.383	3.361	70	40	EGIB	
Cc1c(C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)oc2ccccc12	218053783	PUXFYVAZWVCCOF-LSDHHAIUSA-N	348.402	3.162	70	40	EGIB	
O=S(=O)(Oc1ccc(Br)cc1Cl)C(F)(F)F	143415845	KAWKXMFOLPMAEB-UHFFFAOYSA-N	339.516	3.331	70	40	EGIB	
O=C(CCc1ccccc1F)NC[C@@H]1CCCN(c2nccs2)C1	218138009	PMARPGVSPQOCOT-AWEZNQCLSA-N	347.459	3.248	70	40	EGIB	
COc1cccc(CC(=O)NC[C@@](C)(O)c2cc3ccccc3o2)c1	217986565	AKCHIAHPCROYBD-HXUWFJFHSA-N	339.391	3.008	70	40	EGIB	
COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)c1ccccc1Cl	218006575	WZYLKRNMKAKCAE-LJQANCHMSA-N	345.826	3.303	70	40	EGIB	
COc1ccc(O[C@H](C)C(=O)N[C@@H](C)COc2ccccc2C)cc1	218750423	SSKQKNFZJXSMAA-JKSUJKDBSA-N	343.423	3.355	70	40	EGIB	
O=C1O[C@]2(CCCN(C(=O)NCc3cccs3)C2)c2ccccc21	217610130	FHMQRXWAXFHAKF-SFHVURJKSA-N	342.420	3.119	70	40	EGIB	
COc1ccc(O[C@@H](C)C(=O)N[C@H](C)COc2ccc(C)cc2)cc1	218750651	RDQKQWUYLVDUQZ-CVEARBPZSA-N	343.423	3.355	70	40	EGIB	
CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCOc1ccc(C)cc1	218755922	LBKJUIMEPBXAOH-IBGZPJMESA-N	343.423	3.356	70	40	EGIB	
O=C(Nc1ccccc1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1	217817487	FVEDQCWMFHTYID-CYBMUJFWSA-N	326.400	3.434	70	40	EGIB	
Cc1csc(C(=O)N2CC[C@@H](n3cc(-c4ccccc4)nn3)C2)c1	217654906	ZSRFYUKDLGFKTO-OAHLLOKOSA-N	338.436	3.402	70	40	EGIB	
CC[C@H](NC(=O)N1CCN(Cc2ccccn2)CC1)c1cccs1	159500367	YGJRSTTZCLBRFA-INIZCTEOSA-N	344.484	3.122	70	40	EGIB	
CSc1ccc(S(=O)(=O)Cl)cc1C(=O)N1CCCCCC1	225170795	MWGDZIZMHLZASU-UHFFFAOYSA-N	347.889	3.352	70	40	EGIB	
CN1CCC(CC(=O)Nc2ccc(Br)cc2F)CC1	216895738	LNYZVXXEFMJVFZ-UHFFFAOYSA-N	329.213	3.259	70	40	EGIB	
CC[C@@H]1c2ccccc2CCN1C(=O)Nc1cnn(-c2ncccn2)c1	161104788	OZBXRRCLIGBNKH-QGZVFWFLSA-N	348.410	3.204	70	40	EGIB	
COc1ccccc1-c1nnc(-c2ccc(S(=O)(=O)F)cc2)o1	97996160	RVOOPBXMEWRJHJ-UHFFFAOYSA-N	334.328	3.070	70	40	EGIB	
CC(=O)NC1CCC(Nc2cccc(OC[C@@H]3CCCO3)c2)CC1	161137331	QSGCHJZMMIRAAX-RJYAGPCLSA-N	332.444	3.104	70	40	EGIB	
O=C(NCCn1ccc(-c2ccsc2)n1)NCc1ccc(F)cc1	217890981	AQLDPAJANMLGDL-UHFFFAOYSA-N	344.415	3.250	70	40	EGIB	
NNc1nc2ccc(Cc3ccc4nc(NN)sc4c3)cc2s1	216851952	FLUGWUFEYSNNDA-UHFFFAOYSA-N	342.453	3.068	70	40	EGIB	
CSc1ccc(S(=O)(=O)Cl)cc1C(=O)N1CCC(C)CC1	225170900	XVRLCSWKWGKHSB-UHFFFAOYSA-N	347.889	3.208	70	40	EGIB	
Cc1cccc(CC(=O)N2CCC3(CC2)OC(=O)c2ccccc23)c1	217511223	RMMHNJKWRRNDEN-UHFFFAOYSA-N	335.403	3.226	70	40	EGIB	
CCCCc1ccc(NC(=O)[C@H]2CC[C@H](Cn3cnnn3)CC2)cc1	217990121	PKCOWLSUEWSXSR-CALCHBBNSA-N	341.459	3.461	70	40	EGIB	
Cn1nc(CN(Cc2ccco2)C(=O)c2cccs2)c2c1CCC2	217903563	GNSYMTUIUJRCNI-UHFFFAOYSA-N	341.436	3.406	70	40	EGIB	
CCCC(=O)N1CCC[C@H](c2nnc(-c3cccc(OC)c3)o2)C1	216654055	UKQTWCVJNFCMSD-AWEZNQCLSA-N	329.400	3.251	70	40	EGIB	
Cc1ccc(Cn2cc([C@@H]3OCCN3Cc3ccccc3)nn2)cc1	216772087	KCQIPYOVHGHVEN-FQEVSTJZSA-N	334.423	3.166	70	40	EGIB	
Cc1ccc(/C=C/C(=O)NCc2nc(-c3cccs3)no2)cc1	218182250	PCIWZEKLBJEYCY-CMDGGOBGSA-N	325.393	3.436	70	40	EGIB	
Cc1ccc(Cl)cc1N1CCN(C(=O)CC2CCN(C)CC2)CC1	216895123	FKOVSWHRLGZJLP-UHFFFAOYSA-N	349.906	3.029	70	40	EGIB	
COc1ccc(OC[C@H](C)NC(=O)[C@H](C)Oc2cccc(C)c2)cc1	218684973	YYXJENULFKWLIR-HOTGVXAUSA-N	343.423	3.355	70	40	EGIB	
COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)Nc1ccccc1C	218012973	RJUSXGIRFAERCS-HXUWFJFHSA-N	340.423	3.349	70	40	EGIB	
Clc1cccc(Cn2cc([C@H]3OCCN3Cc3ccco3)nn2)c1	216779937	LVNYOXMISUYBQI-QGZVFWFLSA-N	344.802	3.104	70	40	EGIB	
CC[C@@H]1CCCCN1C(=O)Nc1ccc(S(=O)(=O)Cl)cc1	95698103	AJQIZDDVUOOLBC-GFCCVEGCSA-N	330.837	3.411	70	40	EGIB	
C[C@](O)(CNS(=O)(=O)c1ccccc1)c1cc2ccccc2s1	217510966	VTGQTROKINXXCV-KRWDZBQOSA-N	347.461	3.087	70	40	EGIB	
CCOc1ccccc1C(=O)NC[C@](C)(O)c1cc2ccccc2o1	217986388	OUVHNILKJVIRRM-FQEVSTJZSA-N	339.391	3.469	70	40	EGIB	
O=C(NCCn1nc(-c2ccsc2)cc1C1CC1)c1cccnc1	217878581	WFOWQHTVFJTLAY-UHFFFAOYSA-N	338.436	3.314	70	40	EGIB	
Cc1ccc2c(c1)[C@@H](NC(=O)CC1CCN(C)CC1)CC(C)(C)O2	216904657	UPXVHIGUVMDNMZ-KRWDZBQOSA-N	330.472	3.445	70	40	EGIB	
Cc1nc(C)c(C(=O)N2CCC[C@]3(C2)OC(=O)c2ccccc23)s1	217594695	INSQBGJEZWAZPD-GOSISDBHSA-N	342.420	3.062	70	40	EGIB	
COc1ccc2c(c1)[C@H](NC(=O)COc1ccccc1)CC(C)(C)O2	217823284	RNFDLCVBVSPUHG-QGZVFWFLSA-N	341.407	3.493	70	40	EGIB	
Cc1cccnc1CNC(=O)Nc1ccnn1Cc1ccccc1F	160566049	PYFPQGUPAWGWIK-UHFFFAOYSA-N	339.374	3.096	70	40	EGIB	
CN1CCN(c2cc(Nc3ccc(Cl)c(Cl)c3)ncn2)CC1	216846971	WNXHOBLMQVSVSH-UHFFFAOYSA-N	338.242	3.279	70	40	EGIB	
Cc1cccc(CN2CCO[C@@H]2c2cn(Cc3ccccc3)nn2)c1	216775464	ORENWZGMVRLRQD-HXUWFJFHSA-N	334.423	3.166	70	40	EGIB	
COc1ccc(O[C@@H](C)C(=O)N[C@H](C)COc2ccccc2C)cc1	218750471	SSKQKNFZJXSMAA-CVEARBPZSA-N	343.423	3.355	70	40	EGIB	
CCOc1ccc(CNC(=O)COc2ccccc2C)cc1OCC	217824985	KFKATDVGZKLDNP-UHFFFAOYSA-N	343.423	3.488	70	40	EGIB	
Cc1ccc(CN2CCO[C@@H]2c2cn(Cc3ccc(C)cc3)nn2)cc1	216773932	HSVASVKYKQNITK-OAQYLSRUSA-N	348.450	3.474	70	40	EGIB	
O=C(Nc1ccc(S(=O)(=O)F)cc1)[C@@H]1C[C@H]1c1ccc(F)cc1	97977144	FJOZYXBFCPEGRF-LSDHHAIUSA-N	337.347	3.226	70	40	EGIB	
CCCOc1ccccc1CCCNC(=O)CC1CCN(C)CC1	216903760	ISMWUHGAKLUUFI-UHFFFAOYSA-N	332.488	3.256	70	40	EGIB	
CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCC1CCN(C)CC1	217027992	YRSQLQCATPSCSJ-GOSISDBHSA-N	332.488	3.309	70	40	EGIB	
O=C(/C=C/c1ccccc1)N1CC(n2cc(-c3ccccc3)nn2)C1	217670595	GQHWJVVBMCDDSP-VAWYXSNFSA-N	330.391	3.042	70	40	EGIB	
Cc1ccc(Cn2cc([C@H]3OCCN3Cc3cccc(C)c3)nn2)cc1	216775839	ONZYBQZGVKFEHG-OAQYLSRUSA-N	348.450	3.474	70	40	EGIB	
O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@@H]34)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1	217558295	MSWXRSMMCUDHBP-FYYZZUKCSA-N	333.309	3.263	70	40	EGIB	
Cc1ccccc1OCC(=O)NCCCN1CCCc2ccccc21	217829288	NOWXEXUJXQHCFA-UHFFFAOYSA-N	338.451	3.333	70	40	EGIB	
COc1cccc2cc(C(=O)NCC[C@H](O)c3ccsc3)oc12	217531621	MPAMPXKTOGJLKR-ZDUSSCGKSA-N	331.393	3.356	70	40	EGIB	
O=C(Cc1ccsc1)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1	217665356	HHMXVLUZYAEEFI-INIZCTEOSA-N	338.436	3.023	70	40	EGIB	
O=C(Nc1cnn(CC2CCOCC2)c1)c1ccc(Cl)s1	218224022	ZSXZFWNDBIYMGX-UHFFFAOYSA-N	325.821	3.277	70	40	EGIB	
C[C@@](O)(CNC(=O)Cc1ccc(F)cc1)c1cc2ccccc2o1	217985031	SYUWCGKKFYNECD-LJQANCHMSA-N	327.355	3.138	70	40	EGIB	
CC(C)c1cc(C(=O)Nc2nc(CN3CCCCC3)cs2)no1	161228111	QUSPDJQWHXVQFI-UHFFFAOYSA-N	334.445	3.493	70	40	EGIB	
CCCCOCc1nn(CCC(F)(F)F)cc1S(=O)(=O)Cl	408715534	VMHLYXJRZVOFEF-UHFFFAOYSA-N	348.774	3.080	70	40	EGIB	
Cc1cccc(Cn2cc([C@H]3OCCN3Cc3ccccc3)nn2)c1	216772020	PHZSZFCXEUSLES-HXUWFJFHSA-N	334.423	3.166	70	40	EGIB	
CCCC(=O)N1CCC[C@H](c2nnc(-c3ccccc3OC)o2)C1	216651770	HMEDNQMIFWEOGN-ZDUSSCGKSA-N	329.400	3.251	70	40	EGIB	
COc1ccc(NC(=O)NC[C@H]2CCCN(c3nccs3)C2)cc1	218171218	FQHFQYXXPCPOPV-CYBMUJFWSA-N	346.456	3.190	70	40	EGIB	
COCCN1C(=O)CS[C@H]1c1ccn(-c2ccccc2Cl)c1	216678490	DKPVLBBDPVGJSD-INIZCTEOSA-N	336.844	3.351	70	40	EGIB	
O=C1OC2(CCN(C(=O)CSC3CCCC3)CC2)c2ccccc21	217532338	WZVGXILNSADWIW-UHFFFAOYSA-N	345.464	3.351	70	40	EGIB	
Cc1ccc(Cn2cc([C@H]3OCCN3c3ccc(C)cc3)nn2)cc1	216760855	JBZDRTLOZMPGDU-HXUWFJFHSA-N	334.423	3.479	70	40	EGIB	
Cc1nc(CC(=O)Nc2ccc(N3CCCCC3)cn2)c(C)s1	160888387	DYCICLOSOYYZML-UHFFFAOYSA-N	330.457	3.326	70	40	EGIB	
Cc1ccc(-c2nnc([C@@H]3CCCN(C(=O)c4cccnc4)C3)o2)cc1	216650151	ISRVYDLANZCTDV-QGZVFWFLSA-N	348.406	3.460	70	40	EGIB	
Cc1noc(C)c1CC(=O)NC[C@@](C)(O)c1cc2ccccc2s1	217507149	RCNAVSPYWXELAJ-GOSISDBHSA-N	344.436	3.073	70	40	EGIB	
CCCCNC(=O)Nc1ccc(S(=O)(=O)Cl)c(Cl)c1	95698316	ZSXCLHFMEMQGBH-UHFFFAOYSA-N	325.217	3.189	70	40	EGIB	
O=C(NCC[C@@H](O)C1CCOCC1)Nc1cccc(C(F)(F)F)c1	217930837	PPIHVGBCGXDAFQ-CQSZACIVSA-N	346.349	3.005	70	40	EGIB	
O=C(NCC[C@H](O)C1CCOCC1)Nc1cccc(C(F)(F)F)c1	217930754	PPIHVGBCGXDAFQ-AWEZNQCLSA-N	346.349	3.005	70	40	EGIB	
COc1ccc(CSCC(=O)NCCN(C)c2ccccc2)cc1	218113765	LMVSKZSPELNZHN-UHFFFAOYSA-N	344.480	3.181	70	40	EGIB	
Cc1cccc(CN2CCO[C@@H]2c2cn(Cc3ccccc3C)nn2)c1	216775581	XIRVMUVWBDRMJX-OAQYLSRUSA-N	348.450	3.474	70	40	EGIB	
O=C(NCC[C@H](O)C1CCOCC1)Nc1ccccc1C(F)(F)F	217930543	VYYRXCVJDPBHPQ-AWEZNQCLSA-N	346.349	3.005	70	40	EGIB	
COc1cc(CN2CCN(c3cccc(OC)c3)CC2)cc(OC)c1	160687813	XJJPOAFXLDUZLS-UHFFFAOYSA-N	342.439	3.035	70	40	EGIB	
CN(CCCn1ccnc1)Cc1nc2cc(Br)ccc2[nH]1	161208715	DNMFMWIJCCSJHN-UHFFFAOYSA-N	348.248	3.044	70	40	EGIB	
O=C(c1cccc(-n2cnnn2)c1)N1CCCC[C@@H](c2ccccc2)C1	217489870	PITSCZRGNRYTHX-GOSISDBHSA-N	347.422	3.072	70	40	EGIB	
Cc1ccccc1OC[C@@H](C)NC(=O)/C=C/c1ccc2c(c1)OCO2	217929554	WNOXBKHESRPCFX-TUPIDYKKSA-N	339.391	3.321	70	40	EGIB	
Cc1ccc(-c2nnc([C@H]3CCCN(C(=O)c4cccnc4)C3)o2)cc1	216650201	ISRVYDLANZCTDV-KRWDZBQOSA-N	348.406	3.460	70	40	EGIB	
CN1CCC(Oc2ccc(CNC(=O)C3CCCCC3)cc2)CC1	217016845	RHKLBLZHYTUPAF-UHFFFAOYSA-N	330.472	3.356	70	40	EGIB	
O=C(NCCSC1CCOCC1)NC12CC3CC(CC(C3)C1)C2	217708404	ZHKBQEGBWDJVRA-UHFFFAOYSA-N	338.517	3.167	70	40	EGIB	
Cc1ccc(-c2nnc(C3CCN(C(=O)c4cccnc4)CC3)o2)cc1	216633504	CPPRWTDZUKRHLQ-UHFFFAOYSA-N	348.406	3.460	70	40	EGIB	
O=C(Nc1cccn(CC(F)(F)F)c1=O)c1ccc(Cl)s1	159510269	DSQUXHLHNQKPKY-UHFFFAOYSA-N	336.722	3.378	70	40	EGIB	
COc1ccc(CCCNC(=O)[C@H](C)Oc2ccc(F)cc2)cc1	218698728	XPJCLDIBONZICY-AWEZNQCLSA-N	331.387	3.351	70	40	EGIB	
O=C(c1ccco1)N1CCC[C@@H](c2nnc(-c3ccccc3F)o2)C1	216645460	RFNFOYSDODAQJP-GFCCVEGCSA-N	341.342	3.489	70	40	EGIB	
COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)c1ccccc1Cl	218006490	WZYLKRNMKAKCAE-IBGZPJMESA-N	345.826	3.303	70	40	EGIB	
Cc1cccc(N2CCO[C@H]2c2cn(Cc3ccc(F)cc3)nn2)c1	216759523	JZAABZZAHCJICM-IBGZPJMESA-N	338.386	3.309	70	40	EGIB	
O=C(NCCn1ccnc1-c1cccnc1)c1c(F)cccc1Cl	217866839	MVWOLPRZJJVURB-UHFFFAOYSA-N	344.777	3.168	70	40	EGIB	
COc1ccc(NC(=O)NC[C@@H]2CCCN(c3nccs3)C2)cc1	218171121	FQHFQYXXPCPOPV-ZDUSSCGKSA-N	346.456	3.190	70	40	EGIB	
CCc1ccc(Nc2cc(N3CCN(C)CC3)nc(SC)n2)cc1	216850906	DMESONQSGNICQY-UHFFFAOYSA-N	343.500	3.256	70	40	EGIB	
CN1CCC(CCNC(=O)CSc2ccc(Cl)cc2)CC1	216927894	MFHIROGLRVTWQW-UHFFFAOYSA-N	326.893	3.280	70	40	EGIB	
O=C(CCc1cccc(Cl)c1)NCCSC1CCOCC1	217703793	VJMVNYZUPLPZNH-UHFFFAOYSA-N	327.877	3.301	70	40	EGIB	
Fc1cccc(C2(CNC3CCC4(CC3)OCCO4)CCOCC2)c1	161354173	QZLZIRFDPKJGED-UHFFFAOYSA-N	349.446	3.149	70	40	EGIB	
CC[C@H]1CCCCN1C(=O)Nc1ccc(S(=O)(=O)Cl)cc1	95698104	AJQIZDDVUOOLBC-LBPRGKRZSA-N	330.837	3.411	70	40	EGIB	
O=C(NCC1(c2ccsc2)CCCC1)C(=O)Nc1ccccc1F	217485016	NSUOEBUYJUCSMA-UHFFFAOYSA-N	346.427	3.454	70	40	EGIB	
CN1CCC(CCNC(=O)CSCc2ccccc2Cl)CC1	216928798	NXMAGJYIPQNXBY-UHFFFAOYSA-N	340.920	3.421	70	40	EGIB	
CCCC(=O)N1CCC[C@@H](c2nnc(-c3cccc(OC)c3)o2)C1	216654011	UKQTWCVJNFCMSD-CQSZACIVSA-N	329.400	3.251	70	40	EGIB	
CC(C)Oc1ccc(CCCNC(=O)CC2CCN(C)CC2)cc1	216900531	VJPJKVUQGUIKJQ-UHFFFAOYSA-N	332.488	3.255	70	40	EGIB	
O=C(Nc1cccnc1)C(=O)N1CCC[C@H]1c1ccccc1Cl	160689707	QZKLDRNQHNHBNU-HNNXBMFYSA-N	329.787	3.037	70	40	EGIB	
Cn1nc(CN(C(=O)/C=C/c2ccco2)C2CCCC2)c2c1CCC2	217908104	YNRPGQWDSNANJF-VAWYXSNFSA-N	339.439	3.486	70	40	EGIB	
Cc1nc(Nc2ccc(C(C)C)cc2)cc(N2CCN(C)CC2)n1	216848683	SGZJEPJHFPILCL-UHFFFAOYSA-N	325.460	3.404	70	40	EGIB	
O=S(=O)(Oc1cc(Br)ccc1Cl)C(F)(F)F	245482636	WZNLLBJOCFSODL-UHFFFAOYSA-N	339.516	3.331	70	40	EGIB	
CCCC(=O)N1CCC[C@@H](c2nnc(-c3ccccc3OC)o2)C1	216651722	HMEDNQMIFWEOGN-CYBMUJFWSA-N	329.400	3.251	70	40	EGIB	
O=S(=O)(Oc1ccc(Br)c(Cl)c1)C(F)(F)F	79272385	YYEXJNWLFJRVJP-UHFFFAOYSA-N	339.516	3.331	70	40	EGIB	
O=S(=O)(Cl)c1ccc(Oc2nccc(C(F)(F)F)n2)cc1	100014133	SMDWXDCIMUGFNP-UHFFFAOYSA-N	338.694	3.215	70	40	EGIB	in-vitro
COc1ccc(OC[C@H](C)NC(=O)Cc2ccc(Cl)cc2)cc1	218528600	MJBHBYCXXIGEEW-ZDUSSCGKSA-N	333.815	3.475	70	40	EGIB	
CC[C@H](NC(=O)/C=C/c1ccccc1)c1ccc(S(C)(=O)=O)cc1	217885898	RVVPYZPEDASULS-MXHVWWQHSA-N	343.448	3.371	70	40	EGIB	
Cc1noc(-c2c(NC(=O)c3ccco3)sc3c2CCOC3)n1	217964105	QWEOJMZRYNIOAM-UHFFFAOYSA-N	331.353	3.025	70	40	EGIB	
COc1ccc(OC[C@@H](C)NC(=O)COc2ccc(C)c(C)c2)cc1	218720373	JBOGKDMTOWLCQB-MRXNPFEDSA-N	343.423	3.275	70	40	EGIB	
COc1ccc(O[C@H](C)C(=O)N[C@@H](C)COc2ccc(C)cc2)cc1	218750594	RDQKQWUYLVDUQZ-JKSUJKDBSA-N	343.423	3.355	70	40	EGIB	
Cc1cccc(N2CCO[C@@H]2c2cn(Cc3ccc(F)cc3)nn2)c1	216759476	JZAABZZAHCJICM-LJQANCHMSA-N	338.386	3.309	70	40	EGIB	
COc1cccc(CCCNC(=O)/C=C/c2ccccc2OC)c1	217965099	XYCTVTJCYCIVGW-OUKQBFOZSA-N	325.408	3.466	70	40	EGIB	
CCc1ccccc1-n1ccc([C@@H]2SCC(=O)N2CCOC)c1	216680145	WKCRNKOFXFNWGE-SFHVURJKSA-N	330.453	3.260	70	40	EGIB	
O=C1O[C@@]2(CCCN(C(=O)CSC3CCCC3)C2)c2ccccc21	217594318	LOPPXJFVFXKAGM-LJQANCHMSA-N	345.464	3.351	70	40	EGIB	
CN1CCC(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)CC1	216920342	ZVUCYIQCTPRMNW-UHFFFAOYSA-N	343.471	3.029	70	40	EGIB	
Cc1ccccc1Cn1cc([C@H]2OCCN2c2ccc(F)cc2)nn1	216769960	AJUFFYSVCNUXLK-LJQANCHMSA-N	338.386	3.309	70	40	EGIB	
Cc1cc(C)n(-c2ccc(S(=O)(=O)Cl)c(C(F)(F)F)c2)n1	103695554	YMENQSJYTXECGN-UHFFFAOYSA-N	338.738	3.435	70	40	EGIB	
COc1ccc(OC)c([C@H](O)CNC(=O)c2ccc(Cl)cc2C)c1	160187538	PKJJKUKYIFCJKP-MRXNPFEDSA-N	349.814	3.129	70	40	EGIB	
O=C1O[C@@]2(CCCN(C(=O)c3cc4ccccc4[nH]3)C2)c2ccccc21	217586411	UMOBCAACLHCLGT-OAQYLSRUSA-N	346.386	3.470	70	40	EGIB	
COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)Nc1cccs1	218012598	ZBXLDUFEIQTSMV-KRWDZBQOSA-N	332.425	3.102	70	40	EGIB	
Cc1ccccc1Cn1cc([C@H]2OCCN2Cc2ccccc2)nn1	216771898	ZFRKJRPKDMQRLY-HXUWFJFHSA-N	334.423	3.166	70	40	EGIB	
COc1ccc(-c2nnc([C@H]3CCCN(C(=O)C(C)C)C3)o2)cc1	216663625	HBRAERLVKNFMJQ-AWEZNQCLSA-N	329.400	3.107	70	40	EGIB	
O=C(NC[C@H]1CCCN(c2nccs2)C1)c1ccc(F)c(F)c1	218117329	YFQKZEPCSQNHAY-LLVKDONJSA-N	337.395	3.068	70	40	EGIB	
COc1cccc(NC(=O)NCC[C@@H](O)c2ccsc2)c1OC	217547144	JLQUOSPEWQRKHB-CYBMUJFWSA-N	336.413	3.011	70	40	EGIB	
O=C(Nc1ccc(S(=O)(=O)F)cc1)[C@@H]1C[C@@H]1c1ccc(F)cc1	97977145	FJOZYXBFCPEGRF-HUUCEWRRSA-N	337.347	3.226	70	40	EGIB	
Cc1csc(C(=O)N2CC[C@H](n3cc(-c4ccccc4)nn3)C2)c1	217654824	ZSRFYUKDLGFKTO-HNNXBMFYSA-N	338.436	3.402	70	40	EGIB	
CCCCNC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C	216890906	WRHQIJIHALKTAW-UHFFFAOYSA-N	344.436	3.022	70	40	EGIB	
O=C(Cc1ccc(Cl)cc1)NC[C@H]1CCCN(c2nccs2)C1	218119699	GQAWJAXTTDBGFZ-CQSZACIVSA-N	349.887	3.372	70	40	EGIB	
COc1ccc(O[C@@H](C)C(=O)N[C@@H](C)COc2ccc(C)cc2)cc1	218750546	RDQKQWUYLVDUQZ-HOTGVXAUSA-N	343.423	3.355	70	40	EGIB	
COc1cccc(CCCNC(=O)COc2ccc(C)c(C)c2)c1	218720172	ZVHCYMJOPMSASD-UHFFFAOYSA-N	327.424	3.440	70	40	EGIB	
CCCCc1ccc(Nc2cc(N3CCN(C)CC3)ncn2)cc1	216848040	MAAOIMFMDRGXNL-UHFFFAOYSA-N	325.460	3.315	70	40	EGIB	
C[C@@H]1Cc2cc(S(=O)(=O)Cl)ccc2N1c1cc(Cl)ncn1	226105470	APSIDLKTCAECNB-MRVPVSSYSA-N	344.223	3.140	70	40	EGIB	
O=C(/C=C/c1ccccc1)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1	217655291	AGKXJDBTCLPYOW-TZZQJPOUSA-N	344.418	3.432	70	40	EGIB	
C[C@](O)(CNC(=O)c1ccc(F)c(F)c1)c1cc2ccccc2o1	217985910	RKOORGVJPPLLEA-SFHVURJKSA-N	331.318	3.349	70	40	EGIB	
O=C(Nc1cccn(CC(F)(F)F)c1=O)c1ccc2ccccc2n1	159820578	RTFZTECBSQSMIH-UHFFFAOYSA-N	347.296	3.211	70	40	EGIB	
O=[N+]([O-])c1ccc(OCc2ccc(S(=O)(=O)F)cc2)c(Cl)c1	104170879	VLBDASJAUBBBEQ-UHFFFAOYSA-N	345.735	3.485	70	40	EGIB	
O=C(/C=C/c1ccccc1Cl)NCCSC1CCOCC1	217705783	JXMQKAIMGPLTIM-AATRIKPKSA-N	325.861	3.382	70	40	EGIB	
COC(=O)c1ccccc1NC(=O)CSCc1ccc(OC)cc1	218110098	AGFJBBXIXYOAKO-UHFFFAOYSA-N	345.420	3.354	70	40	EGIB	
C=C(C)C(=O)OCCC[SiH2]C(O[Si](C)(C)C)O[Si](C)(C)C	604940272	VJLYCOZACXQZQO-UHFFFAOYSA-N	348.664	3.070	70	40	EGIB	
Cc1c(Cl)cccc1S(=O)(=O)NCC[C@@H](O)c1ccsc1	217537595	UQBIBGOTNHJPKN-CYBMUJFWSA-N	345.873	3.112	70	40	EGIB	
O=S(=O)(Cl)c1ccc(Oc2ccnc(C(F)(F)F)n2)cc1	100551090	FKZQBWPKXQZPHY-UHFFFAOYSA-N	338.694	3.215	70	40	EGIB	
CCOc1ccc(CCCNC(=O)c2cc(OC)cc(OC)c2)cc1	218174750	NCLRXYQAYVZDQC-UHFFFAOYSA-N	343.423	3.465	70	40	EGIB	
CC[C@@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)Cl)cc2)C1	110167375	RQKAWDHDFRLXAJ-LLVKDONJSA-N	330.837	3.268	70	40	EGIB	
CCCC(=O)N1CCC[C@H](c2nnc(-c3ccc(OC)cc3)o2)C1	216656276	WXPXVZZCMNREDY-AWEZNQCLSA-N	329.400	3.251	70	40	EGIB	
COC1CCN(C2CCN(C(=O)c3cccc(Cl)c3)CC2)CC1	217778576	TZVMBHOCDFNFJP-UHFFFAOYSA-N	336.863	3.055	70	40	EGIB	
CCc1ccccc1-n1ccc([C@H]2SCC(=O)N2CCOC)c1	216680188	WKCRNKOFXFNWGE-GOSISDBHSA-N	330.453	3.260	70	40	EGIB	
COc1ccccc1/C=C/C(=O)NCCCc1ccccc1OC	217964981	WTLYEXZYSLIZED-BUHFOSPRSA-N	325.408	3.466	70	40	EGIB	
CN1CCC[C@@H](C(=O)NCCSCc2ccc(Cl)cc2)C1	216906249	IWJGDAXDEPYABC-CQSZACIVSA-N	326.893	3.031	70	40	EGIB	
CSc1nc(Nc2cccc(C)c2C)cc(N2CCN(C)CC2)n1	216850681	ZQOSADMXSLNNLD-UHFFFAOYSA-N	343.500	3.311	70	40	EGIB	
Cc1cccc(CN2CCO[C@H]2c2cn(Cc3ccccc3C)nn2)c1	216775625	XIRVMUVWBDRMJX-NRFANRHFSA-N	348.450	3.474	70	40	EGIB	
COc1ccc(OCC(=O)NCCCc2ccc(Cl)cc2)cc1	217839226	QERCWLMKTTTYJU-UHFFFAOYSA-N	333.815	3.476	70	40	EGIB	
COc1cc(CNC(=O)COc2ccccc2)ccc1OC(C)C	217821255	YMNGCCDONZSOGF-UHFFFAOYSA-N	329.396	3.178	70	40	EGIB	
O=C(NCCSC1CCOCC1)c1ccccc1C(F)(F)F	217701712	FQWFFWKDJIPGQO-UHFFFAOYSA-N	333.375	3.347	70	40	EGIB	
CCOc1cccc(-n2ccc([C@@H]3SCC(=O)N3CCOC)c2)c1	216680577	TYAKUCFCVNRNCY-SFHVURJKSA-N	346.452	3.096	70	40	EGIB	
CCOc1ccc(S(=O)(=O)Cl)cc1-c1nc(C(C)C)no1	59825998	JDMADPXVXGGVAR-UHFFFAOYSA-N	330.793	3.186	70	40	EGIB	
O=C(NCCn1ccc(-c2ccsc2)n1)NCc1cccs1	217890407	KOOSJFUUPJNEGN-UHFFFAOYSA-N	332.454	3.173	70	40	EGIB	
C[C@@](O)(CNS(=O)(=O)c1ccccc1)c1cc2ccccc2s1	217510897	VTGQTROKINXXCV-QGZVFWFLSA-N	347.461	3.087	70	40	EGIB	
COc1ccc(OC[C@@H](C)NC(=O)/C=C/c2ccccc2OC)cc1	217965330	NLSKKQRQJBUDJJ-XETPBLJFSA-N	341.407	3.301	70	40	EGIB	
O=C(CCc1ccccc1F)NC[C@H]1CCCN(c2nccs2)C1	218138071	PMARPGVSPQOCOT-CQSZACIVSA-N	347.459	3.248	70	40	EGIB	
CCOc1ccc(CCCNC(=O)COc2ccc(OC)cc2)cc1	217840184	CVGXEKCVGBZFHC-UHFFFAOYSA-N	343.423	3.222	70	40	EGIB	
CCOc1ccc(S(=O)(=O)Cl)cc1-c1noc(C(C)C)n1	59825961	QGZKTSQJEGTFTP-UHFFFAOYSA-N	330.793	3.186	70	40	EGIB	
O=C(NC[C@@H]1CCCN(c2nccs2)C1)c1cc2ccccc2[nH]1	218147814	XWSHWXWQFFUXOC-ZDUSSCGKSA-N	340.452	3.271	70	40	EGIB	
COc1ccc(/C=C/C(=O)N[C@@H](C)COc2ccc(OC)cc2)cc1	217917462	ZXZCWYDOGYJHMO-NNSJBKGDSA-N	341.407	3.301	70	40	EGIB	
Cc1ccc(NC(=O)NCCn2ccnc2-c2ccccn2)cc1C	217862782	SNFNMLXJECHGOU-UHFFFAOYSA-N	335.411	3.384	70	40	EGIB	
CCc1ccccc1Nc1cc(N2CCN(C)CC2)nc(SC)n1	216850872	ZJVIVSRHABNAJL-UHFFFAOYSA-N	343.500	3.256	70	40	EGIB	
COc1ccc(OC[C@H](C)NC(=O)COc2ccc(C)c(C)c2)cc1	218720450	JBOGKDMTOWLCQB-INIZCTEOSA-N	343.423	3.275	70	40	EGIB	
CCOc1ccc(-n2ccc([C@H]3SCC(=O)N3CCOC)c2)cc1	216679746	NCLNXCUYPILWQO-GOSISDBHSA-N	346.452	3.096	70	40	EGIB	
O=C(Cc1ccsc1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1	217816197	WKXWBGVAMUGCNN-GFCCVEGCSA-N	331.441	3.032	70	40	EGIB	
C[C@@H](O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1	160957013	JQSFZWGXNXBWSR-GFCCVEGCSA-N	331.865	3.044	70	40	EGIB	
CN1CCC[C@H](C(=O)Nc2ccccc2C(=O)NC2CCCCC2)C1	216907938	HAHCIURJNOAZIU-HNNXBMFYSA-N	343.471	3.029	70	40	EGIB	
CN1c2ccc(C(=O)NC(C)(C)C)cc2-c2ccccc2S1(=O)=O	216890435	MYYPCYOGDZXIIC-UHFFFAOYSA-N	344.436	3.020	70	40	EGIB	
CCCc1nc(-c2ccc(OCC)c(S(=O)(=O)Cl)c2)no1	59826088	GWZUALMHQHBDPM-UHFFFAOYSA-N	330.793	3.015	70	40	EGIB	
Fc1ccc(Cn2cc([C@H]3OCCN3c3ccc(F)cc3)nn2)cc1	216770748	YVMONFZCNXRUQX-GOSISDBHSA-N	342.349	3.140	70	40	EGIB	
CCOc1ccc([C@H](C)NC(=O)[C@H]2CCCN(C)C2)cc1OCC	216911894	PCFMBFCWGROVOR-HOCLYGCPSA-N	334.460	3.003	70	40	EGIB	
COCCN1C(=O)CS[C@@H]1c1ccn(-c2cccc(Cl)c2)c1	216678554	NEFPTUOPIMBUFK-MRXNPFEDSA-N	336.844	3.351	70	40	EGIB	
COCCN1C(=O)CS[C@H]1c1ccn(-c2cccc(Cl)c2)c1	216678604	NEFPTUOPIMBUFK-INIZCTEOSA-N	336.844	3.351	70	40	EGIB	
Cc1ccc(OC[C@H](C)NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1	218701092	KJWRCPITSVKZBQ-GJZGRUSLSA-N	331.387	3.485	70	40	EGIB	
COc1ccccc1CCCNC(=O)[C@@H](C)Oc1ccc(F)cc1	218698488	LOCGCMKKMOGJNJ-CQSZACIVSA-N	331.387	3.351	70	40	EGIB	
CN1CCC(CC(=O)NCCSc2ccc(Cl)cc2)CC1	216892742	YGIVGYOFUWLXPE-UHFFFAOYSA-N	326.893	3.280	70	40	EGIB	
CCOC(=O)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1	217797605	PDLHANYAXBJWQI-LBPRGKRZSA-N	333.363	3.287	70	40	EGIB	
O=C(Nc1ccc(S(=O)(=O)F)cc1)[C@H]1C[C@H]1c1ccc(F)cc1	97977142	FJOZYXBFCPEGRF-GJZGRUSLSA-N	337.347	3.226	70	40	EGIB	
CN1C(=O)CS[C@H]1c1ccn(-c2ccc(Br)cc2)c1	216705500	KJQKUCNXQAYAMM-AWEZNQCLSA-N	337.242	3.444	70	40	EGIB	
Cc1ccc(C)c(OCC(=O)n2c(C)c(C(N)=O)c3ccccc32)c1	218737304	CVIZSTZYPUYYBZ-UHFFFAOYSA-N	336.391	3.385	70	40	EGIB	
CN1CCC(C(=O)NCCCSCc2ccccc2Cl)CC1	216923746	BBVVCPAEVFYKRH-UHFFFAOYSA-N	340.920	3.421	70	40	EGIB	
COc1ccc(C(=O)NC[C@](C)(O)c2cc3ccccc3o2)cc1	217984728	QFZCNCZPZCPTOS-IBGZPJMESA-N	325.364	3.079	70	40	EGIB	
CCc1cccc(CC)c1NS(=O)(=O)c1cccc(C(=O)OC)c1	218218017	XWBOVSGACNDPKZ-UHFFFAOYSA-N	347.436	3.399	70	40	EGIB	
O=C(NC(c1ccccc1)c1ccccc1)N1CC[C@H](n2ccnn2)C1	217688658	DNORGPRBXJWOAP-SFHVURJKSA-N	347.422	3.024	70	40	EGIB	
CC[C@@H](C)NC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C	216890333	YXBKUABCJPTDPH-GFCCVEGCSA-N	344.436	3.020	70	40	EGIB	
C[C@@H]1[C@H](c2ccccc2)O[B-](c2ccccc2)(c2ccccc2)N1C	195772976	SFIQEHFTNZMTTP-XMSQKQJNSA-N	328.244	3.335	70	40	EGIB	
CN1CCC(CC(=O)NCCSCc2ccc(Cl)cc2)CC1	216892967	ZXOKRNIJYZFRBC-UHFFFAOYSA-N	340.920	3.421	70	40	EGIB	
C[C@H]1Cc2cc(S(=O)(=O)Cl)ccc2N1c1cc(Cl)ncn1	226105481	APSIDLKTCAECNB-QMMMGPOBSA-N	344.223	3.140	70	40	EGIB	
O=S(=O)(OCCC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F	1083812496	KMANNVBDQIVHPV-UHFFFAOYSA-N	346.142	3.076	70	40	EGIB	
COc1ccc(/C=C/C(=O)NCCCc2ccc(OC)cc2)cc1	217917361	PPTMCRJXQHWSRA-NTEUORMPSA-N	325.408	3.466	70	40	EGIB	
COc1cc(OC)cc(C(=O)N[C@@H](C)COc2ccc(C)cc2)c1	218174923	NONXQTQUNDVRNZ-AWEZNQCLSA-N	329.396	3.210	70	40	EGIB	
Cc1ccccc1OC[C@@H](C)NC(=O)[C@H](C)Oc1ccc(F)cc1	218700661	XFDLIESELTYSAY-CABCVRRESA-N	331.387	3.485	70	40	EGIB	
C[SiH](CCCOC[C@@]1(O[Si](C)(C)C)CO1)O[Si](C)(C)C	216275268	QRWAUCWZRQPPOK-YJJYDOSJSA-N	336.653	3.176	70	40	EGIB	
Cc1cccc(CN2CCO[C@@H]2c2cn(Cc3cccc(C)c3)nn2)c1	216775744	GUTSPLZDELDMEW-OAQYLSRUSA-N	348.450	3.474	70	40	EGIB	
COc1ccc(OC[C@@H](C)NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1	218698980	PPZOXMGGUUWDFB-KGLIPLIRSA-N	347.386	3.185	70	40	EGIB	
O=C(NCCCc1ccc(Cl)cc1)[C@@H]1COc2ccccc2O1	218297682	BJCXLOLPQCHMSE-KRWDZBQOSA-N	331.799	3.229	70	40	EGIB	
COc1ccc2c(c1)[C@@H](NC(=O)COc1ccccc1)CC(C)(C)O2	217823202	RNFDLCVBVSPUHG-KRWDZBQOSA-N	341.407	3.493	70	40	EGIB	
Cc1ccccc1-c1nnc([C@H]2CCCN(C(=O)c3cccnc3)C2)o1	216647907	IMTJGZIAJVZWPQ-INIZCTEOSA-N	348.406	3.460	70	40	EGIB	
Cc1cccc(CC(=O)N2CC[C@H](n3cc(-c4ccccc4)nn3)C2)c1	217655396	QPXOSJZSHYPNEH-IBGZPJMESA-N	346.434	3.270	70	40	EGIB	
CN1C(=O)CS[C@@H]1c1ccn(-c2ccc(Br)cc2)c1	216705445	KJQKUCNXQAYAMM-CQSZACIVSA-N	337.242	3.444	70	40	EGIB	
CCOc1ccccc1S(=O)(=O)N1[C@H]2CC[C@H]1CC(SC)C2	217590626	YXDACPLEVIIOFE-STQMWFEESA-N	341.498	3.132	70	40	EGIB	
CCCCn1cc(S(=O)(=O)Cl)c(COCCC(F)(F)F)n1	408715924	GVLKGILSWGFOQR-UHFFFAOYSA-N	348.774	3.080	70	40	EGIB	
CCOc1ccccc1C(=O)N1CC(n2cc(-c3ccccc3)nn2)C1	217671296	ALNXJPHGIOYYGR-UHFFFAOYSA-N	348.406	3.041	70	40	EGIB	
CN1CCC[C@H](C(=O)NCCSCc2ccc(Cl)cc2)C1	216906284	IWJGDAXDEPYABC-AWEZNQCLSA-N	326.893	3.031	70	40	EGIB	
O=C(Nc1cnn(CC2CCOCC2)c1)c1ccc(F)cc1Cl	218219319	PQAWWUPELINQOR-UHFFFAOYSA-N	337.782	3.355	70	40	EGIB	
Cn1cc(NC(=O)Nc2cc(CC3CC3)nn2-c2ccccc2)cn1	161010999	LGJLXFMOEIXWSR-UHFFFAOYSA-N	336.399	3.202	70	40	EGIB	
Cc1ccc(N2CCO[C@H]2c2cn(Cc3ccc(F)cc3)nn2)cc1	216761427	GSDLTIPBHALIPZ-IBGZPJMESA-N	338.386	3.309	70	40	EGIB	
Cn1nc(-c2ccccc2NC(=O)c2c[nH]c3ccccc23)ccc1=O	217548371	GJWCNSBJKRKOEY-UHFFFAOYSA-N	344.374	3.181	70	40	EGIB	
Cc1cccc(Cn2cc([C@@H]3OCCN3c3cccc(C)c3)nn2)c1	216758831	JLLUOMVHTHJWKA-FQEVSTJZSA-N	334.423	3.479	70	40	EGIB	
CC(C)(C)OC(=O)N1CCC(c2ncc(Br)[nH]2)CC1	218718235	YDOFQQJWIHQHIX-UHFFFAOYSA-N	330.226	3.287	70	40	EGIB	
Cc1cc(C(=O)N2CCC[C@@H](Cc3nc(C4CC4)no3)C2)c(C)o1	217811108	XTCPZXIURCJTTD-ZDUSSCGKSA-N	329.400	3.252	70	40	EGIB	
CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCC1CCN(C)CC1	217035027	WSXAJYZZHQEQAU-QGZVFWFLSA-N	338.879	3.346	70	40	EGIB	
COc1ccc(CCCNC(=O)[C@H](C)Oc2ccc(OC)cc2)cc1	218749349	SDPVRMMUNCLQHL-HNNXBMFYSA-N	343.423	3.220	70	40	EGIB	
Clc1cccc(Cn2cc([C@@H]3OCCN3Cc3ccco3)nn2)c1	216779896	LVNYOXMISUYBQI-KRWDZBQOSA-N	344.802	3.104	70	40	EGIB	
CCCN(C[C@@H]1CCCCO1)C(=O)Nc1ccc([S@](C)=O)cc1	161124258	LWBONVVACYGPAP-NPMXOYFQSA-N	338.473	3.237	70	40	EGIB	
CCOC(=O)c1cc(NC(=O)CC2CCN(C)CC2)ccc1Cl	216902626	VEVDGGAVLJPRJK-UHFFFAOYSA-N	338.835	3.187	70	40	EGIB	
CN(C)C(=O)Sc1c(S(=O)(=O)F)ccc(Cl)c1Cl	104162149	CJIYYSZUHMOEJK-UHFFFAOYSA-N	332.205	3.425	70	40	EGIB	
O=C(CSc1ccc(F)cc1)Nc1cnn(CC2CCOCC2)c1	218220514	VIDAFOMJRADOJX-UHFFFAOYSA-N	349.431	3.180	70	40	EGIB	
COc1ccccc1CCCNC(=O)[C@H](C)Oc1ccc(F)cc1	218698563	LOCGCMKKMOGJNJ-AWEZNQCLSA-N	331.387	3.351	70	40	EGIB	
O=C(/C=C/c1ccco1)NC[C@@H]1CCCN1c1nc2ccccc2o1	217636025	MRFPHAPFZRHWBP-HBWSCVEGSA-N	337.379	3.219	70	40	EGIB	
Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCC2CCN(C)CC2)c1	217024346	DHEWSTMUYIIMCE-KRWDZBQOSA-N	332.488	3.227	70	40	EGIB	
Cc1nc2ccc(C(=O)NCCSC3CCOCC3)cc2s1	217704776	OAIJNBADNGCNDI-UHFFFAOYSA-N	336.482	3.247	70	40	EGIB	
Cc1ccc(Cn2cc([C@@H]3OCCN3Cc3cccc(C)c3)nn2)cc1	216775793	ONZYBQZGVKFEHG-NRFANRHFSA-N	348.450	3.474	70	40	EGIB	
O=C(NCc1cccs1)C(=O)NCC1(c2ccsc2)CCCC1	217485122	JAOPKQADDBXYIV-UHFFFAOYSA-N	348.493	3.054	70	40	EGIB	
O=C(NCCn1ccc(-c2ccsc2)n1)c1ccc(F)c(F)c1	217884414	VELKUUSBSXXPSQ-UHFFFAOYSA-N	333.363	3.320	70	40	EGIB	
O=C(Cc1ccc(Cl)cc1)NC[C@@H]1CCCN(c2nccs2)C1	218119609	GQAWJAXTTDBGFZ-AWEZNQCLSA-N	349.887	3.372	70	40	EGIB	
COC(=O)CS[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C)cc2)C1	217565874	NHDYRWAIMOIHLI-OAHLLOKOSA-N	335.469	3.105	70	40	EGIB	
COc1ccc(OC[C@@H](C)NC(=O)COc2ccc(Cl)cc2)cc1	217830251	PSDKZYOARVZLHQ-CYBMUJFWSA-N	349.814	3.311	70	40	EGIB	
O=C(Nc1ccncc1)Nc1ccc(S(=O)(=O)Cl)c(Cl)c1	95698249	DOYGTEDCFKCQOM-UHFFFAOYSA-N	346.195	3.307	70	40	EGIB	
CCOc1ccc(NC(=O)c2ccccc2)cc1S(=O)(=O)Cl	110167006	FNDLBVVVEBZTHH-UHFFFAOYSA-N	339.800	3.265	70	40	EGIB	
CN1CCC[C@@H](C(=O)NCCCSCc2ccc(Cl)cc2)C1	216916964	ZJNCWHMLVIEJMZ-OAHLLOKOSA-N	340.920	3.421	70	40	EGIB	
O=C(CCc1ccccc1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1	217809963	CFCUQYCBYNWLOZ-MRXNPFEDSA-N	339.439	3.361	70	40	EGIB	
Cc1cc(C(=O)N2CC[C@H](n3cc(-c4ccccc4)nn3)C2)c(C)o1	217654612	QNNWSYWVSYFLTH-INIZCTEOSA-N	336.395	3.242	70	40	EGIB	
CN1CCC(C(=O)NCCCSc2ccc(Cl)cc2)CC1	216923495	RYJIGNLLSMJJMO-UHFFFAOYSA-N	326.893	3.280	70	40	EGIB	
CC(C)Oc1cccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)c1	218400954	FEBHGEGJSXUCEM-UHFFFAOYSA-N	348.424	3.098	70	40	EGIB	
CN1CCC[C@@H](C(=O)Nc2ccccc2C(=O)NC2CCCCC2)C1	216907906	HAHCIURJNOAZIU-OAHLLOKOSA-N	343.471	3.029	70	40	EGIB	
Cc1noc(-c2c(NC(=O)c3cccs3)sc3c2CCOC3)n1	217964227	NUWICHPGDOMUOL-UHFFFAOYSA-N	347.421	3.493	70	40	EGIB	
COc1ccccc1/C=C/C(=O)NCc1nc(-c2cccc(C)c2)no1	217968494	MPYGKRPCVVKNOJ-ZHACJKMWSA-N	349.390	3.383	70	40	EGIB	
COc1ccccc1NC(=O)NC[C@](C)(O)c1cc2ccccc2o1	218004460	QTDWBGGKEGNPBE-IBGZPJMESA-N	340.379	3.471	70	40	EGIB	
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CC1CCN(C)CC1	216904737	SQSRQIRJRXVQMK-KRWDZBQOSA-N	330.472	3.445	70	40	EGIB	
Cc1nc(-c2ccncc2)sc1C(=O)NC[C@H]1C[C@@H]2C=C[C@H]1C2	218257693	YGVGZBUWXZIGMK-VHDGCEQUSA-N	325.437	3.456	70	40	EGIB	
CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCC1CCN(C)CC1	217027057	WUAHBULQFDXRFE-IBGZPJMESA-N	332.488	3.309	70	40	EGIB	
Cc1ccc(CN2CCO[C@H]2c2cn(Cc3ccccc3)nn2)cc1	216773607	URZWWDSJNNYJIR-FQEVSTJZSA-N	334.423	3.166	70	40	EGIB	
O=C(Cc1ccsc1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1	217816278	WKXWBGVAMUGCNN-LBPRGKRZSA-N	331.441	3.032	70	40	EGIB	
O=C(Cc1cccs1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1	217809776	MFCSYADVOOBGEA-GFCCVEGCSA-N	331.441	3.032	70	40	EGIB	
O=C(Oc1ccc(S(=O)(=O)F)cc1F)c1ccccc1Cl	8034773	DPOWUNNQCFYECG-UHFFFAOYSA-N	332.711	3.357	70	40	EGIB	in-vitro
CC[C@H](C)OCc1c(S(=O)(=O)Cl)cnn1CCC(F)(F)F	408716844	RRQAJDGOPUJMNL-QMMMGPOBSA-N	348.774	3.078	70	40	EGIB	
CN(C)C(=O)Sc1ccc(S(=O)(=O)F)c(Cl)c1Cl	104162142	AYGSZTZTHRJHLX-UHFFFAOYSA-N	332.205	3.425	70	40	EGIB	
CON(Cc1ccccc1)C(=O)Nc1ccc([S@@](C)=O)c(F)c1	161149150	DRKGIQBFKNGVBE-QHCPKHFHSA-N	336.388	3.159	70	40	EGIB	
CC[C@@H](C(=O)NCCn1ccnc1-c1ccccn1)c1ccccc1	217859680	WHHBCKMEDXPTOD-QGZVFWFLSA-N	334.423	3.255	70	40	EGIB	
COc1ccc(C(=O)NC[C@@](C)(O)c2cc3ccccc3o2)cc1	217984650	QFZCNCZPZCPTOS-LJQANCHMSA-N	325.364	3.079	70	40	EGIB	
O=S(=O)(Cl)c1c(Br)cccc1Br	103010800	JFNIGRXUBVKVQG-UHFFFAOYSA-N	334.416	3.139	70	40	EGIB	in-vitro
COc1cccc(CCCNC(=O)/C=C/c2ccc3c(c2)OCO3)c1	217928259	WXVYZCIGNKBZLH-CSKARUKUSA-N	339.391	3.186	70	40	EGIB	
O=C1NCCN1C(=O)N1CCS[C@@H]1c1ccc(Cl)c(Cl)c1	217642268	XYQUTAGNNSLFFM-LLVKDONJSA-N	346.239	3.186	70	40	EGIB	
COc1cc(C(=O)c2coc3cc(O)ccc23)cc(OC)c1OC	218709295	SPNALFSQTMYZFL-UHFFFAOYSA-N	328.320	3.395	70	40	EGIB	
CSc1ccc(/C=C/C(=O)NCC[C@H](O)c2cccn2C)cc1	217940052	CTHOBYAESVQARB-JEJOPICUSA-N	330.453	3.000	70	40	EGIB	
Cc1cc(C)cc(OCC(=O)n2c(C)c(C(N)=O)c3ccccc32)c1	218738676	GAIKOBBPVMGFSF-UHFFFAOYSA-N	336.391	3.385	70	40	EGIB	
O=S(=O)(OCCC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F	1565682935	HFLIYDMQSZWPJP-UHFFFAOYSA-N	346.142	3.076	70	40	EGIB	
CN1CCC[C@@H](C(=O)NCCSCc2c(F)cccc2Cl)C1	216907667	LNAIVOKBWYZJFJ-GFCCVEGCSA-N	344.883	3.170	70	40	EGIB	
O=C(Nc1cnn(CC2CCOCC2)c1)c1ccc2ncsc2c1	218200199	GBDRAVCTWZSSOY-UHFFFAOYSA-N	342.424	3.172	70	40	EGIB	
Cc1ccc(CN2CCO[C@@H]2c2cn(Cc3cccc(C)c3)nn2)cc1	216773780	LYESHPQMFFKNIK-OAQYLSRUSA-N	348.450	3.474	70	40	EGIB	
Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccn3nccc3c2)c1C	217962343	SJZFODOXJAFHNO-UHFFFAOYSA-N	329.425	3.369	70	40	EGIB	
CN1CCN(c2cc(Nc3ccc(Cl)cc3Cl)ncn2)CC1	216846922	VCWVYUUGFRJXIA-UHFFFAOYSA-N	338.242	3.279	70	40	EGIB	
Cc1noc(-c2ccsc2NC(=O)COc2ccccc2F)n1	217648766	MODQYGMIQYXEDW-UHFFFAOYSA-N	333.344	3.263	70	40	EGIB	
CN1CCC[C@@H](C(=O)NCCCSCc2cccc(Cl)c2)C1	216916902	JAPSLCSMORHYDX-OAHLLOKOSA-N	340.920	3.421	70	40	EGIB	
Cc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1	218700833	KJWRCPITSVKZBQ-HUUCEWRRSA-N	331.387	3.485	70	40	EGIB	
CCc1noc(C)c1NC(=O)Nc1ccn(CCc2ccncc2)n1	160968608	FGTHTWLUVDCAFD-UHFFFAOYSA-N	340.387	3.024	70	40	EGIB	
COc1ccc(OC[C@H](C)NC(=O)COc2ccc(Cl)cc2)cc1	217830333	PSDKZYOARVZLHQ-ZDUSSCGKSA-N	349.814	3.311	70	40	EGIB	
CCOc1ccccc1-n1ccc([C@@H]2SCC(=O)N2CCOC)c1	216680474	UGKKUZRGTCGPQK-SFHVURJKSA-N	346.452	3.096	70	40	EGIB	
COc1cccc(-c2nnc([C@H]3CCCN(C(=O)C(C)C)C3)o2)c1	216663297	XDLPPJPQGBWFAA-AWEZNQCLSA-N	329.400	3.107	70	40	EGIB	
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CC1CCN(C)CC1	216904774	SQSRQIRJRXVQMK-QGZVFWFLSA-N	330.472	3.445	70	40	EGIB	
COc1ccc2c(c1)[C@@H](NC(=O)CC1CCN(C)CC1)CC(C)(C)O2	216904826	KLWABUMZSHCIFU-KRWDZBQOSA-N	346.471	3.146	70	40	EGIB	
Cc1cccc(N2CCO[C@@H]2c2cn(Cc3ccccc3C)nn2)c1	216758723	DMTFHHUQMQXYFE-HXUWFJFHSA-N	334.423	3.479	70	40	EGIB	
O=C(NCC[C@@H](O)c1ccsc1)NC12CC3CC(CC(C3)C1)C2	217546847	KRUQTACOYRZIAP-JKJYUFNASA-N	334.485	3.440	70	40	EGIB	
COc1ccc(O[C@@H](C)C(=O)NCCCc2ccccc2OC)cc1	218749170	KMGNCCMEGCJNDW-HNNXBMFYSA-N	343.423	3.220	70	40	EGIB	
O=C(Nc1ccccc1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1	217817538	FVEDQCWMFHTYID-ZDUSSCGKSA-N	326.400	3.434	70	40	EGIB	
CC[C@@H]1CCCCCN1C(=O)Cc1cccc(S(=O)(=O)CC)c1	160317226	FYNSKFNGSJFNGE-MRXNPFEDSA-N	337.485	3.204	70	40	EGIB	
Cc1nc(C)c(C(=O)N2CCC[C@@]3(C2)OC(=O)c2ccccc23)s1	217594768	INSQBGJEZWAZPD-SFHVURJKSA-N	342.420	3.062	70	40	EGIB	
C[C@](O)(CNC(=O)c1c(F)cccc1F)c1cc2ccccc2o1	217985723	HIOHVEJKAPRCOG-SFHVURJKSA-N	331.318	3.349	70	40	EGIB	
Cc1ccc(Cn2cc([C@@H]3OCCN3c3cccc(C)c3)nn2)cc1	216758943	WMNDCSOWDJVRCU-FQEVSTJZSA-N	334.423	3.479	70	40	EGIB	
CSc1nc(Nc2cc(C)ccc2C)cc(N2CCN(C)CC2)n1	216850757	DPGCIUINPPWLGO-UHFFFAOYSA-N	343.500	3.311	70	40	EGIB	
Cn1cccc1[C@H](O)CCNC(=O)c1csc(-c2ccccc2)n1	217936877	WWDCMXSUIVRSEN-MRXNPFEDSA-N	341.436	3.002	70	40	EGIB	
O=C(O)c1ccc(CCc2ccc(Cl)c(S(=O)(=O)F)c2)cc1	104169055	GYNLEBNRDLXGSF-UHFFFAOYSA-N	342.775	3.482	70	40	EGIB	
CCCC(=O)N1CCC(c2nnc(-c3cccc(OC)c3)o2)CC1	216635411	GCFSPDHNOZMVNA-UHFFFAOYSA-N	329.400	3.251	70	40	EGIB	
COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)Nc1cccs1	218012678	ZBXLDUFEIQTSMV-QGZVFWFLSA-N	332.425	3.102	70	40	EGIB	
Cc1cccc(N2CCO[C@H]2c2cn(Cc3ccccc3F)nn2)c1	216759412	CXPGKUBEFJYINE-IBGZPJMESA-N	338.386	3.309	70	40	EGIB	
CSc1ccccc1C(=O)NCCn1ccnc1-c1ccccn1	217860644	AYVHIHHKHCVGEW-UHFFFAOYSA-N	338.436	3.097	70	40	EGIB	
CCc1ccc(-n2ccc([C@@H]3SCC(=O)N3CCOC)c2)cc1	216679810	NKPGAPVSVYXAIO-SFHVURJKSA-N	330.453	3.260	70	40	EGIB	
O=C(Nc1cccs1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1	217817879	SPXTXFGEPBBYJO-NSHDSACASA-N	332.429	3.495	70	40	EGIB	
COc1ccccc1C(=O)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1	217807726	BKPHYMGZGCRLAH-ZDUSSCGKSA-N	341.411	3.051	70	40	EGIB	
Cc1ccc2c(c1)[C@H](NC(=O)CC1CCN(C)CC1)CC(C)(C)O2	216904692	UPXVHIGUVMDNMZ-QGZVFWFLSA-N	330.472	3.445	70	40	EGIB	
CC[C@H](NC(=O)COc1ccccc1)c1ccc(OC)c(OC)c1	217824062	BPISFEZGPRSYTE-INIZCTEOSA-N	329.396	3.350	70	40	EGIB	
Cc1cc(C[C@@H](C)NC(=O)Nc2cccc(N(C)C(C)C)c2)n[nH]1	160093548	ODVISENFQSWURO-CYBMUJFWSA-N	329.448	3.315	70	40	EGIB	
CCOC(=O)c1ccc(NC(=O)CC2CCN(C)CC2)c(Cl)c1	216902728	VIVYCHMMMCJOAG-UHFFFAOYSA-N	338.835	3.187	70	40	EGIB	
O=C1O[C@]2(CCCN(C(=O)c3c[nH]c4ccccc34)C2)c2ccccc21	217597493	CBOSPKWXBISRQU-NRFANRHFSA-N	346.386	3.470	70	40	EGIB	
Cc1ccccc1CSCCCNC(=O)CC1CCN(C)CC1	216903190	MJQBRALCMIRNLL-UHFFFAOYSA-N	334.529	3.466	70	40	EGIB	
O=C(/C=C/c1ccccc1)NC[C@@H]1CCCN(c2nccs2)C1	218115139	XYDORZKCVWYSPB-FDMDGMSGSA-N	327.453	3.189	70	40	EGIB	
Cc1cccc(Cn2cc([C@H]3OCCN3c3cccc(C)c3)nn2)c1	216758879	JLLUOMVHTHJWKA-HXUWFJFHSA-N	334.423	3.479	70	40	EGIB	
Cc1ccc(OC[C@@H](C)NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1	218701010	KJWRCPITSVKZBQ-CABCVRRESA-N	331.387	3.485	70	40	EGIB	
CCOc1cc(-c2nnc(N)o2)ccc1OCc1ccccc1F	216823146	SEOVIRCJYGBTHE-UHFFFAOYSA-N	329.331	3.436	70	40	EGIB	
O=C(c1cccc(-n2cnnn2)c1)N1CCCC[C@H](c2ccccc2)C1	217489951	PITSCZRGNRYTHX-SFHVURJKSA-N	347.422	3.072	70	40	EGIB	
O=C1c2cnn(-c3ccccc3)c2-c2cccc(S(=O)(=O)Cl)c21	218817521	GTVZHTQAKOXVNA-UHFFFAOYSA-N	344.779	3.011	70	40	EGIB	
COc1cccc2cc(C(=O)NCCSC3CCOCC3)oc12	217701821	HXCYGSAJTLGDDD-UHFFFAOYSA-N	335.425	3.083	70	40	EGIB	
O=C(CCc1ccccc1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1	217810018	CFCUQYCBYNWLOZ-INIZCTEOSA-N	339.439	3.361	70	40	EGIB	
O=C(/C=C/c1ccco1)NC[C@H]1CCCN1c1nc2ccccc2o1	217635936	MRFPHAPFZRHWBP-ATWMFIQVSA-N	337.379	3.219	70	40	EGIB	
COc1ccc(C(=O)NC[C@@](C)(O)c2cc3ccccc3o2)cc1F	217994203	TUTQEMMKSPDNJD-LJQANCHMSA-N	343.354	3.218	70	40	EGIB	
CN(C)C(=O)Sc1c(Cl)cc(Cl)cc1S(=O)(=O)F	104162006	NTBMVNCLENHSCN-UHFFFAOYSA-N	332.205	3.425	70	40	EGIB	
O=S(=O)(Cl)c1ccc(Br)cc1CBr	103625650	NGHWGFZQMVNIJQ-UHFFFAOYSA-N	348.443	3.272	70	40	EGIB	
COc1ccc(OC[C@H](C)NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1	218698905	PPZOXMGGUUWDFB-UONOGXRCSA-N	347.386	3.185	70	40	EGIB	
CCCc1noc(-c2ccc(OCC)c(S(=O)(=O)Cl)c2)n1	59826033	DYWQSMFGRMPVML-UHFFFAOYSA-N	330.793	3.015	70	40	EGIB	
Cc1cccc(Cn2cc([C@@H]3OCCN3c3ccc(F)cc3)nn2)c1	216770032	UAPNGMCHFLOCTH-IBGZPJMESA-N	338.386	3.309	70	40	EGIB	
Cc1ccc(N2CCO[C@@H]2c2cn(Cc3ccccc3C)nn2)cc1	216760595	XWDYXELDDQUJND-HXUWFJFHSA-N	334.423	3.479	70	40	EGIB	
CCCn1c(C)c(C(=O)OCC)c2cc(OCC(=O)OCC)ccc21	217767563	SQBOXUODYVIHJH-UHFFFAOYSA-N	347.411	3.478	70	40	EGIB	
Cc1ccc(N2CCO[C@H]2c2cn(Cc3ccccc3C)nn2)cc1	216760638	XWDYXELDDQUJND-FQEVSTJZSA-N	334.423	3.479	70	40	EGIB	
Cc1ccc(CCC(=O)NCCSC2CCOCC2)cc1F	217704212	ODMWJWUWSHRIJJ-UHFFFAOYSA-N	325.449	3.095	70	40	EGIB	
COc1ccc(S(=O)(=O)Cl)cc1C(=O)Nc1ccc(C)cc1	100026452	ORFIWDZUECEBKH-UHFFFAOYSA-N	339.800	3.183	70	40	EGIB	
Cc1ccccc1CCC(=O)N1CC(n2cc(-c3ccccc3)nn2)C1	217672509	WEWUXBXCXFVYQK-UHFFFAOYSA-N	346.434	3.270	70	40	EGIB	
Cc1cccc(CN2CCO[C@H]2c2cn(Cc3ccccc3)nn2)c1	216775509	ORENWZGMVRLRQD-FQEVSTJZSA-N	334.423	3.166	70	40	EGIB	
O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1[C@H]2C=CC[C@H]1CC2	218760696	FBVCBWNXBWNYFC-QWRGUYRKSA-N	333.331	3.067	70	40	EGIB	
O=C(c1cc(Cl)c(S(=O)(=O)Cl)[nH]1)C(Cl)(Cl)Cl	100564971	RTBIOUCWMOUSMI-UHFFFAOYSA-N	345.418	3.149	70	40	EGIB	
O=C(NCCn1ccnc1-c1ccccn1)Nc1cccc(Cl)c1	217862460	KSEHFTKJYRLZFD-UHFFFAOYSA-N	341.802	3.420	70	40	EGIB	
Cc1cccc(Cn2cc([C@H]3OCCN3c3ccc(F)cc3)nn2)c1	216770077	UAPNGMCHFLOCTH-LJQANCHMSA-N	338.386	3.309	70	40	EGIB	
Cc1cc(S(C)(=O)=O)ccc1NCc1noc(C2CCCCC2)n1	161473936	AUXIOCUKWQVRSP-UHFFFAOYSA-N	349.456	3.441	70	40	EGIB	
CC[C@H](C)n1cc(S(=O)(=O)Cl)c(COCCC(F)(F)F)n1	408716242	KHQLDWQMGZOYCR-QMMMGPOBSA-N	348.774	3.251	70	40	EGIB	
CC(C)Oc1cccc(CCCNC(=O)CC2CCN(C)CC2)c1	216900481	RAHXXKBLGIEHBJ-UHFFFAOYSA-N	332.488	3.255	70	40	EGIB	
O=C(c1ccc(F)cc1F)N1CCC[C@H](Cc2nc(C3CC3)no2)C1	217810856	HKTMIFPTTCXAPL-LLVKDONJSA-N	347.365	3.320	70	40	EGIB	
COc1ccc(OC[C@H](C)NC(=O)CCCOc2ccccc2)cc1	218725318	OKWHKAOSMDKVHN-INIZCTEOSA-N	343.423	3.438	70	40	EGIB	
COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)/C=C/c1ccccc1	218006286	IRFMQQMJOZVYDH-ZRFOIIEFSA-N	337.419	3.049	70	40	EGIB	
CC(=O)NC1CCC(NCc2ccnc(OC3CCCCC3)c2)CC1	161391807	FWVIUHCNOFEVME-UHFFFAOYSA-N	345.487	3.330	70	40	EGIB	
Cc1ccc(OC[C@@H](C)NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1	217929662	SWPSCZWQYITFMR-WCLQSUPFSA-N	339.391	3.321	70	40	EGIB	
COc1ccc(OC[C@@H](C)NC(=O)COc2cc(C)cc(C)c2)cc1	218692597	PTBFMUFOQVSRAZ-MRXNPFEDSA-N	343.423	3.275	70	40	EGIB	
O=C(Cc1ccsc1)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1	217665271	HHMXVLUZYAEEFI-MRXNPFEDSA-N	338.436	3.023	70	40	EGIB	
O=C(NCCSC1CCOCC1)c1ccc(OC(F)(F)F)cc1	217703145	BDWSENTYLHUPPV-UHFFFAOYSA-N	349.374	3.227	70	40	EGIB	
C[C@@](O)(CNC(=O)c1ccc(F)c(F)c1)c1cc2ccccc2o1	217985832	RKOORGVJPPLLEA-GOSISDBHSA-N	331.318	3.349	70	40	EGIB	
CN1CCC(C(=O)NCCSCc2c(F)cccc2Cl)CC1	216920292	YCBXOHIGJBDSTB-UHFFFAOYSA-N	344.883	3.170	70	40	EGIB	
O=C(C1CCCC1)N1CCCc2cc(S(=O)(=O)Cl)ccc21	103604319	QBPUIGNUBWUYPG-UHFFFAOYSA-N	327.833	3.084	70	40	EGIB	
COc1ccc(O[C@H](C)C(=O)NCCCc2ccccc2OC)cc1	218749222	KMGNCCMEGCJNDW-OAHLLOKOSA-N	343.423	3.220	70	40	EGIB	
O=C(NCCn1ccnc1-c1ccccn1)Nc1c(F)cccc1F	217862679	PRTPDAKTUALEQY-UHFFFAOYSA-N	343.337	3.045	70	40	EGIB	
CSc1ccc(CCC(=O)NCCSC2CCOCC2)cc1	217703908	YAIZPFRANYOPHA-UHFFFAOYSA-N	339.526	3.370	70	40	EGIB	
O=C(NCC[C@@H](O)c1ccsc1)c1cc(-c2ccccc2)on1	217531113	REXPPEYIXZHEJB-OAHLLOKOSA-N	328.393	3.257	70	40	EGIB	
CCOc1ccc(CCCNC(=O)COc2ccccc2OC)cc1	217946266	CSQNNAMHLPSMLA-UHFFFAOYSA-N	343.423	3.222	70	40	EGIB	
COc1ccc(S(=O)(=O)Cl)cc1C(=O)Nc1ccc(F)cc1	100026464	ZJMLWGHGTSOKII-UHFFFAOYSA-N	343.763	3.014	70	40	EGIB	
Cc1ccsc1CCC(=O)NC[C@H]1CCCN(c2nccs2)C1	218138988	NLQOSTQBGQPZRF-CQSZACIVSA-N	349.525	3.478	70	40	EGIB	
C[SiH](CCCOC[C@]1(O[Si](C)(C)C)CO1)O[Si](C)(C)C	216275218	QRWAUCWZRQPPOK-FVRDMJKUSA-N	336.653	3.176	70	40	EGIB	
COc1cc(OC)cc(C(=O)NCCCc2ccccc2OC)c1	218174542	ILFUEQFEFRMZEM-UHFFFAOYSA-N	329.396	3.075	70	40	EGIB	
Cc1ccccc1OC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(F)cc1	218700577	XFDLIESELTYSAY-LSDHHAIUSA-N	331.387	3.485	70	40	EGIB	
CSc1nc(Nc2ccccc2C)cc(N2CCN(C)CC2)n1	216850553	AWBVHRXWNBOKGR-UHFFFAOYSA-N	329.473	3.002	70	40	EGIB	
Cc1ccc([C@H](C)NC(=O)c2cccc(NS(C)(=O)=O)c2)cc1C	218568466	JHHGODHKNIVLLK-AWEZNQCLSA-N	346.452	3.166	70	40	EGIB	
Cc1ccsc1CCC(=O)NC[C@@H]1CCCN(c2nccs2)C1	218138928	NLQOSTQBGQPZRF-AWEZNQCLSA-N	349.525	3.478	70	40	EGIB	
O=C(NCCSC1CCOCC1)c1cccc(Br)c1	217706805	GNTFIDXFLZOSNF-UHFFFAOYSA-N	344.274	3.091	70	40	EGIB	
Cc1ccc(NC(=O)N2CCC(Oc3cc(C)oc(=O)c3)CC2)cc1	217770751	UWTFMFAITAYNSI-UHFFFAOYSA-N	342.395	3.332	70	40	EGIB	
Cn1nc(CN(C(=O)Cc2cccs2)C2CCCC2)c2c1CCC2	217909531	JZJHCLCQEWXZGD-UHFFFAOYSA-N	343.496	3.484	70	40	EGIB	
CN1CCC[C@H](C(=O)NCCCSCc2ccc(Cl)cc2)C1	216916992	ZJNCWHMLVIEJMZ-HNNXBMFYSA-N	340.920	3.421	70	40	EGIB	
CC[C@H]1c2ccccc2CCN1C(=O)Nc1cnn(-c2ncccn2)c1	161104865	OZBXRRCLIGBNKH-KRWDZBQOSA-N	348.410	3.204	70	40	EGIB	
Cc1cc(C(=O)N(Cc2cc(C3CC3)n(C)n2)Cc2ccco2)no1	217895982	JGMKKAMOQKHOEX-UHFFFAOYSA-N	340.383	3.030	70	40	EGIB	
CN1C(=O)CS[C@@H]1c1ccn(-c2ccccc2Br)c1	216706353	DWXCRPANWSWTSN-CQSZACIVSA-N	337.242	3.444	70	40	EGIB	
Cn1cccc1[C@@H](O)CCNC(=O)c1csc(-c2ccccc2)n1	217936959	WWDCMXSUIVRSEN-INIZCTEOSA-N	341.436	3.002	70	40	EGIB	
C[C@@](O)(CNC(=O)c1cc(C2CC2)on1)c1cc2ccccc2s1	217506451	SEWUHJIBSSVIKY-GOSISDBHSA-N	342.420	3.404	70	40	EGIB	
COc1ccc(O[C@H](C)C(=O)NCCCc2ccc(F)cc2)cc1	218749105	QIMJZRPJDPGNAJ-CQSZACIVSA-N	331.387	3.351	70	40	EGIB	
Cc1ccccc1-c1nnc([C@@H]2CCCN(C(=O)c3cccnc3)C2)o1	216647859	IMTJGZIAJVZWPQ-MRXNPFEDSA-N	348.406	3.460	70	40	EGIB	
O=S(=O)(Cl)c1cn(C2CCCC2)nc1COCC(F)(F)F	408716109	IZZIQLPVDVDMHU-UHFFFAOYSA-N	346.758	3.005	70	40	EGIB	
CCc1ccc([C@H]2[C@H](C(N)=S)[C@@H]2S(=O)(=O)c2ccccc2)cc1	218616742	SDPKDTJNWJCDHA-YESZJQIVSA-N	345.489	3.091	70	40	EGIB	
COc1ccc(CCCNC(=O)COc2ccc(C)c(C)c2)cc1	218720277	VUPURQHYJNXIMM-UHFFFAOYSA-N	327.424	3.440	70	40	EGIB	
O=C(c1ccco1)N1CCC[C@H](c2nnc(-c3ccc(F)cc3)o2)C1	216643233	FLBTUTUMQRIZNF-ZDUSSCGKSA-N	341.342	3.489	70	40	EGIB	
CCOC(=O)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1	217797534	PDLHANYAXBJWQI-GFCCVEGCSA-N	333.363	3.287	70	40	EGIB	
CC[C@H](C(=O)NCCn1ccnc1-c1cccnc1)c1ccccc1	217867373	CWOGULGGYPSOPG-SFHVURJKSA-N	334.423	3.255	70	40	EGIB	
Cc1cc(C[C@H](C)NC(=O)Nc2cccc(N(C)C(C)C)c2)n[nH]1	160093664	ODVISENFQSWURO-ZDUSSCGKSA-N	329.448	3.315	70	40	EGIB	
CCOc1ccc([C@@H](C)NC(=O)C2CCN(C)CC2)cc1OCC	216921688	YHSQEFZPNCSDFF-CQSZACIVSA-N	334.460	3.003	70	40	EGIB	
CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(CCl)cc2)CC1	34750417	ZSYUKHLVETWOSH-UHFFFAOYSA-N	338.835	3.118	70	40	EGIB	
Cc1cccc(CN2CCO[C@H]2c2cn(Cc3cccc(C)c3)nn2)c1	216775696	GUTSPLZDELDMEW-NRFANRHFSA-N	348.450	3.474	70	40	EGIB	
CN1CCC(CC(=O)NCCCSCc2ccccc2F)CC1	216903501	RCXZXTLJSNFVSI-UHFFFAOYSA-N	338.492	3.297	70	40	EGIB	
O=C(/C=C/c1ccccc1)NC[C@H]1CCCN(c2nccs2)C1	218115210	XYDORZKCVWYSPB-ROJDOSBLSA-N	327.453	3.189	70	40	EGIB	
CC[C@@H](NC(=O)/C=C/c1ccccc1)c1ccc(S(C)(=O)=O)cc1	217885807	RVVPYZPEDASULS-MOVXZBDNSA-N	343.448	3.371	70	40	EGIB	
O=C(CCSc1ccccc1)Nc1cnn(CC2CCOCC2)c1	218222194	NTWQUGBXGAYVFV-UHFFFAOYSA-N	345.468	3.431	70	40	EGIB	
O=C(NCc1ccc(Cl)cc1)Nc1cnn(CC2CCOCC2)c1	218236435	LNXIFKVHSVOHDE-UHFFFAOYSA-N	348.834	3.285	70	40	EGIB	
CC[C@H](Oc1cccc2ccccc12)C(=O)NC1CCN(C)CC1	217027439	RENXGIZAENXVCO-SFHVURJKSA-N	326.440	3.208	70	40	EGIB	
Cc1cc2ccccc2n1CC(=O)Nc1cccc(S(=O)(=O)F)c1	1585438677	IUIMWIKCZRNLOA-UHFFFAOYSA-N	346.383	3.247	70	40	EGIB	
C[C@@](O)(CNC(=O)COc1ccccc1)c1cc2ccccc2s1	217499151	IBUGXAMECCPQTI-LJQANCHMSA-N	341.432	3.304	70	40	EGIB	
O=C(/C=C\c1ccccc1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1	217808649	AKBSZBSTESKPDJ-JXMNSVBMSA-N	337.423	3.442	70	40	EGIB	
O=C(NCC[C@H](O)c1ccsc1)c1ccccc1Br	217532219	JVAWQYZJRRZUOL-ZDUSSCGKSA-N	340.242	3.364	70	40	EGIB	
Cc1cc(S(=O)(=O)Cl)ccc1-n1cc(Br)c(C)n1	103695158	DMOJMDMNPQFRAK-UHFFFAOYSA-N	349.637	3.179	70	40	EGIB	
O=C(CCc1ccccc1)NCCn1ccc(-c2ccsc2)n1	217885524	WJZLFPKLYHSDCA-UHFFFAOYSA-N	325.437	3.361	70	40	EGIB	
CN1CCC[C@H](C(=O)NCCSCc2cccc(Cl)c2)C1	216906199	NUIDYBUXRASCBQ-AWEZNQCLSA-N	326.893	3.031	70	40	EGIB	
Cc1cc(C(=O)N2CC[C@@H](n3cc(-c4ccccc4)nn3)C2)c(C)o1	217654688	QNNWSYWVSYFLTH-MRXNPFEDSA-N	336.395	3.242	70	40	EGIB	
CCOc1ccccc1NC(=O)Nc1cnn(CC2CCOCC2)c1	218236259	REPLXHILAYLDGX-UHFFFAOYSA-N	344.415	3.352	70	40	EGIB	
COc1ccc(OC[C@@H](C)NC(=O)/C=C/c2ccc(F)cc2)cc1	217911326	MYXZAMPEZKHVEP-IMBBRHANSA-N	329.371	3.431	70	40	EGIB	
CC(C)c1ccccc1O[C@H](C)C(=O)NCCC1CCN(C)CC1	217023969	VNPXZFWXOKQSPX-MRXNPFEDSA-N	332.488	3.425	70	40	EGIB	
O=S(=O)(Cl)Cc1c(Br)cccc1Br	113450724	PNAUHAIBOIHXTL-UHFFFAOYSA-N	348.443	3.280	70	40	EGIB	
CN1CCC[C@@H](C(=O)NCCSCc2ccccc2Cl)C1	216906086	FUKXHHNMFDVXOB-CYBMUJFWSA-N	326.893	3.031	70	40	EGIB	
Cc1csc(C(=O)NCCn2nc(-c3ccncc3)cc2C)c1	217869381	MCXTYIRVLHMRLR-UHFFFAOYSA-N	326.425	3.053	70	40	EGIB	
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1ccccc1	217823492	ZVRKXJVVULZFMN-QGZVFWFLSA-N	341.407	3.493	70	40	EGIB	
CN1CCC[C@H](C(=O)NCCCSCc2cccc(Cl)c2)C1	216916928	JAPSLCSMORHYDX-HNNXBMFYSA-N	340.920	3.421	70	40	EGIB	
Cc1nc(Nc2cccc(Cl)c2C)cc(N2CCN(C)CC2)n1	216849141	BKYGDRYDEJFPDO-UHFFFAOYSA-N	331.851	3.242	70	40	EGIB	
CCCCOc1ccc(S(=O)(=O)Cl)cc1C(=O)N1CCCC1	103612884	SZJVHEKULDEJSA-UHFFFAOYSA-N	345.848	3.029	70	40	EGIB	
COc1ccc(CSCC(=O)Nc2ccc3c(c2)OCCO3)cc1	218111422	VRRCVCVISYTDIF-UHFFFAOYSA-N	345.420	3.338	70	40	EGIB	
Cc1nc(Nc2ccc(Cl)cc2C)cc(N2CCN(C)CC2)n1	216849180	YVTPSKKIUWWDGX-UHFFFAOYSA-N	331.851	3.242	70	40	EGIB	
O=C(/C=C/c1ccc(F)cc1)NCc1nc(-c2cccs2)no1	217915298	HUNPDHQSWJZEOA-VMPITWQZSA-N	329.356	3.267	70	40	EGIB	
Cc1cccc(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)c1	216930269	PFNKAAQCDSVQSH-UHFFFAOYSA-N	338.451	3.398	70	40	EGIB	
O=C(Cc1ccccc1Cl)NC[C@@H]1CCCN1c1nccs1	217730653	MLPXXUINNCXXBQ-ZDUSSCGKSA-N	335.860	3.124	70	40	EGIB	
CC(C)Sc1ccc(CC(=O)N2CCC(n3ccnn3)CC2)cc1	217690030	PCXJSEZZPHWSRL-UHFFFAOYSA-N	344.484	3.185	70	40	EGIB	
CCOc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(C)C2)cc1OCC	216911864	PCFMBFCWGROVOR-ZBFHGGJFSA-N	334.460	3.003	70	40	EGIB	
Cc1ccc(Cn2cc([C@H]3OCCN3c3cccc(C)c3)nn2)cc1	216758983	WMNDCSOWDJVRCU-HXUWFJFHSA-N	334.423	3.479	70	40	EGIB	
CCSc1ccc(Cl)cc1NC(=O)NCc1nc(C)no1	159748459	QSSJCQNANSCIRG-UHFFFAOYSA-N	326.809	3.465	70	40	EGIB	
COc1ccc(CCCNC(=O)/C=C/c2ccccc2OC)cc1	217965215	PVCIFVMKGCMKLV-SDNWHVSQSA-N	325.408	3.466	70	40	EGIB	
COc1ccccc1-c1nnc(C2CCN(C(=O)C(C)C)CC2)o1	216640235	XQYYNQIVJIDFHY-UHFFFAOYSA-N	329.400	3.107	70	40	EGIB	
O=C(Nc1cnn(CC2CCOCC2)c1)c1nc2ccccc2s1	218220408	PZOZVLQKHPAWTK-UHFFFAOYSA-N	342.424	3.172	70	40	EGIB	
O=C(c1ccc(Cl)s1)N1CC(n2cc(-c3ccccc3)nn2)C1	217671072	CHLMRGJDGSZVIF-UHFFFAOYSA-N	344.827	3.357	70	40	EGIB	
COc1cc(CNC(=O)COc2ccccc2C)ccc1OC(C)C	217825080	NBIMARUSTSIBIG-UHFFFAOYSA-N	343.423	3.486	70	40	EGIB	
COc1ccc(OC[C@H](C)NC(=O)/C=C/c2ccccc2OC)cc1	217965412	NLSKKQRQJBUDJJ-NRUITVPNSA-N	341.407	3.301	70	40	EGIB	
Cc1csc(C(=O)N2CCC[C@@H](Cc3nc(C4CC4)no3)C2)c1	217813844	GOOLROHFTHEJQK-LBPRGKRZSA-N	331.441	3.412	70	40	EGIB	
Cn1cccc1[C@H](O)CCNC(=O)Nc1cccc(C(F)(F)F)c1	217951183	QXKZXMSVSXKJMR-CQSZACIVSA-N	341.333	3.289	70	40	EGIB	
Clc1ccc(Cn2cc([C@@H]3OCCN3Cc3ccco3)nn2)cc1	216780010	QAHUQKLOLVSIMG-KRWDZBQOSA-N	344.802	3.104	70	40	EGIB	
Cc1noc(C)c1C(=O)NC[C@@](C)(O)c1cc2ccccc2s1	217509339	VTADHAHIKRVPPN-QGZVFWFLSA-N	330.409	3.144	70	40	EGIB	
COc1cc(OC)cc(C(=O)N[C@H](C)COc2ccc(C)cc2)c1	218174989	NONXQTQUNDVRNZ-CQSZACIVSA-N	329.396	3.210	70	40	EGIB	
O=C1CCc2cc(S(=O)(=O)Cl)ccc2N1Cc1ccccc1	218780258	ZBRRSBNKJMUSII-UHFFFAOYSA-N	335.812	3.094	70	40	EGIB	
CNCc1ccc(CNC(=O)Cc2ccccc2C(F)(F)F)cc1	160857078	MQGLDLODCBTALD-UHFFFAOYSA-N	336.357	3.284	70	40	EGIB	
COc1cccc2cc(C(=O)NCC[C@@H](O)c3ccsc3)oc12	217531702	MPAMPXKTOGJLKR-CYBMUJFWSA-N	331.393	3.356	70	40	EGIB	
CC[C@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)Cl)cc2)C1	110167379	RQKAWDHDFRLXAJ-NSHDSACASA-N	330.837	3.268	70	40	EGIB	
O=S(=O)(Cl)c1c(Cl)cc(Br)nc1Cl	257198086	SFDYMJFMJQVJKG-UHFFFAOYSA-N	325.398	3.078	70	40	EGIB	
COc1cccc(CCCNC(=O)COc2cc(C)cc(C)c2)c1	218692412	KRKXITXKWXHGME-UHFFFAOYSA-N	327.424	3.440	70	40	EGIB	
CN1CCC(CC(=O)NCCCSCc2ccc(F)cc2)CC1	216903554	RIPWGOGPLLRDTJ-UHFFFAOYSA-N	338.492	3.297	70	40	EGIB	
CSc1nc(Nc2ccc(C)cc2)cc(N2CCN(C)CC2)n1	216850636	IACJTAURNRZCQU-UHFFFAOYSA-N	329.473	3.002	70	40	EGIB	
COCCN1C(=O)CS[C@@H]1c1ccn(-c2ccccc2Cl)c1	216678453	DKPVLBBDPVGJSD-MRXNPFEDSA-N	336.844	3.351	70	40	EGIB	
Cc1[nH]c2ccccc2c(=O)c1CCC(=O)NCCc1ccccc1	217433113	QTALDGXDXIKUPC-UHFFFAOYSA-N	334.419	3.128	70	40	EGIB	
COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)Nc1ccccc1F	218013142	IGVBMLQLQCTQCE-IBGZPJMESA-N	344.386	3.180	70	40	EGIB	
O=S(=O)(OC1=C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)C(F)(F)F	100086695	GBUXWXWPNDHMRG-QWHCGFSZSA-N	347.358	3.173	70	40	EGIB	
CN(C)C(=O)Sc1cc(Cl)c(S(=O)(=O)F)cc1Cl	104162015	ORQMKUZHYYKHEV-UHFFFAOYSA-N	332.205	3.425	70	40	EGIB	
CC(=O)NC1CCC(Nc2cccc(OC[C@H]3CCCO3)c2)CC1	161137463	QSGCHJZMMIRAAX-LADRWXRNSA-N	332.444	3.104	70	40	EGIB	
Cc1cccc(CSCCCNC(=O)CC2CCN(C)CC2)c1	216903238	SOVIGCFVJCOMCF-UHFFFAOYSA-N	334.529	3.466	70	40	EGIB	
Cc1ccccc1-c1nnc(C2CCN(C(=O)c3cccnc3)CC2)o1	216632305	MGSNEFYDOKWORR-UHFFFAOYSA-N	348.406	3.460	70	40	EGIB	
CC[C@H](C(=O)NCCn1ccnc1-c1ccccn1)c1ccccc1	217859577	WHHBCKMEDXPTOD-KRWDZBQOSA-N	334.423	3.255	70	40	EGIB	
COCCN1C(=O)CS[C@H]1c1ccn(-c2ccc(Cl)cc2)c1	216678719	MUGKYTLRGDUNKA-INIZCTEOSA-N	336.844	3.351	70	40	EGIB	
COc1ccc(O[C@@H](C)C(=O)N[C@@H](C)COc2ccccc2C)cc1	218750370	SSKQKNFZJXSMAA-HOTGVXAUSA-N	343.423	3.355	70	40	EGIB	
CC[C@H](Oc1cccc(C)c1C)C(=O)NCCC1CCN(C)CC1	217028030	YRSQLQCATPSCSJ-SFHVURJKSA-N	332.488	3.309	70	40	EGIB	
COc1ccc(/C=C/C(=O)NCCCc2ccccc2OC)cc1	217917174	PGLPHWWGKLKCMJ-SDNWHVSQSA-N	325.408	3.466	70	40	EGIB	
CC(C)c1ccccc1O[C@@H](C)C(=O)NCCC1CCN(C)CC1	217023932	VNPXZFWXOKQSPX-INIZCTEOSA-N	332.488	3.425	70	40	EGIB	
O=C(Cc1cccs1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1	217809853	MFCSYADVOOBGEA-LBPRGKRZSA-N	331.441	3.032	70	40	EGIB	
CN1CCC(C(=O)NCCSCc2ccc(Cl)cc2)CC1	216919712	MPOOPQLRBSCVSY-UHFFFAOYSA-N	326.893	3.031	70	40	EGIB	
O=C(Nc1cnn(CC2CCOCC2)c1)Nc1c(F)cccc1F	218235481	VPYYWIZBFOJBKJ-UHFFFAOYSA-N	336.342	3.232	70	40	EGIB	
O=C(NCC[C@@H](O)C1CCOCC1)Nc1ccccc1C(F)(F)F	217930627	VYYRXCVJDPBHPQ-CQSZACIVSA-N	346.349	3.005	70	40	EGIB	
CC[C@@H](C)OCc1c(S(=O)(=O)Cl)cnn1CCC(F)(F)F	408716843	RRQAJDGOPUJMNL-MRVPVSSYSA-N	348.774	3.078	70	40	EGIB	
Clc1ccccc1Cn1cc([C@@H]2OCCN2Cc2ccco2)nn1	216779783	PKZZTCJFRLQQBD-KRWDZBQOSA-N	344.802	3.104	70	40	EGIB	
COc1ccc(CCCNC(=O)[C@@H](C)Oc2ccc(OC)cc2)cc1	218749298	SDPVRMMUNCLQHL-OAHLLOKOSA-N	343.423	3.220	70	40	EGIB	
Cc1cccc(N2CCO[C@@H]2c2cn(Cc3ccccc3F)nn2)c1	216759370	CXPGKUBEFJYINE-LJQANCHMSA-N	338.386	3.309	70	40	EGIB	
Cc1ccc([C@H]2[C@@H](C(N)=S)[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1	218552827	WJWVWBUSRABZDL-GVDBMIGSSA-N	345.489	3.145	70	40	EGIB	
CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCN(C)c1ccccc1	218756346	DRBBRTHLYDBHEZ-IBGZPJMESA-N	342.439	3.105	70	40	EGIB	
Cn1nc(CN(Cc2ccco2)C(=O)c2cccnc2)cc1C1CC1	217895429	RRYDDLQLIJENEF-UHFFFAOYSA-N	336.395	3.128	70	40	EGIB	
O=C(NC[C@@](O)(c1ccccc1)C1CC1)c1ccc2ncsc2c1	217576994	RMXGVFAQNMPMLM-LJQANCHMSA-N	338.432	3.324	70	40	EGIB	
CN1CCC(C(=O)NCCSCc2cccc(Cl)c2)CC1	216919668	INHYBEFAKUVXCL-UHFFFAOYSA-N	326.893	3.031	70	40	EGIB	
CCOc1ccccc1C(=O)NC[C@@](C)(O)c1cc2ccccc2o1	217986469	OUVHNILKJVIRRM-HXUWFJFHSA-N	339.391	3.469	70	40	EGIB	
COc1ccc(OC[C@H](C)NC(=O)[C@@H](C)Oc2cccc(C)c2)cc1	218684817	YYXJENULFKWLIR-JKSUJKDBSA-N	343.423	3.355	70	40	EGIB	
CSc1nc(Nc2cccc(C)c2)cc(N2CCN(C)CC2)n1	216850595	URHUPHWDECOSLO-UHFFFAOYSA-N	329.473	3.002	70	40	EGIB	
COc1cccc(NC(=O)NCC[C@H](O)c2ccsc2)c1OC	217547040	JLQUOSPEWQRKHB-ZDUSSCGKSA-N	336.413	3.011	70	40	EGIB	
O=S(=O)(Oc1cc(Cl)ccc1Br)C(F)(F)F	245482659	ZKHKBWQFSCOPRP-UHFFFAOYSA-N	339.516	3.331	70	40	EGIB	
O=C1OC2(CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c2ccccc21	217528036	WRCQJQJIZWKLHH-UHFFFAOYSA-N	346.386	3.470	70	40	EGIB	
CC[C@@H](NC(=O)COc1ccccc1)c1ccc(OC)c(OC)c1	217823980	BPISFEZGPRSYTE-MRXNPFEDSA-N	329.396	3.350	70	40	EGIB	
COc1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(SC)C3)cc1C	217729979	UGUPFVMUEJXJMM-STQMWFEESA-N	341.498	3.051	70	40	EGIB	
O=C(NCCn1ccc(-c2ccsc2)n1)c1c(F)cccc1F	217884290	JMHOPENUKBJKLG-UHFFFAOYSA-N	333.363	3.320	70	40	EGIB	
Cc1ccc(N2CCO[C@H]2c2cn(Cc3cccc(C)c3)nn2)cc1	216760749	NDLWBNLHKGCDHS-FQEVSTJZSA-N	334.423	3.479	70	40	EGIB	
COc1ccccc1CCCNC(=O)COc1ccc(Cl)cc1	217829917	JYAWBNKVZIQVKR-UHFFFAOYSA-N	333.815	3.476	70	40	EGIB	
COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)Nc1ccccc1F	218013217	IGVBMLQLQCTQCE-LJQANCHMSA-N	344.386	3.180	70	40	EGIB	
CN1C(=O)CS[C@H]1c1ccn(-c2cccc(Br)c2)c1	216705271	XAXIUOLTUIMASG-AWEZNQCLSA-N	337.242	3.444	70	40	EGIB	
CSc1nc(Nc2cccc(Cl)c2)cc(N2CCN(C)CC2)n1	216851186	JDEHMAYWLFHRBH-UHFFFAOYSA-N	349.891	3.347	70	40	EGIB	
CC[C@@H](C)n1cc(S(=O)(=O)Cl)c(COCCC(F)(F)F)n1	408716241	KHQLDWQMGZOYCR-MRVPVSSYSA-N	348.774	3.251	70	40	EGIB	
Cc1nc(-c2ccccc2Cl)sc1CNC(=O)c1ncccn1	217478545	ACSKJJUABZZKBP-UHFFFAOYSA-N	344.827	3.492	70	40	EGIB	
Clc1ccc(Cn2cc([C@H]3OCCN3Cc3ccco3)nn2)cc1	216780048	QAHUQKLOLVSIMG-QGZVFWFLSA-N	344.802	3.104	70	40	EGIB	
CN1CCN(c2cc(Nc3cccc(Cl)c3Cl)ncn2)CC1	216846882	RDLDHYQZNPHTLN-UHFFFAOYSA-N	338.242	3.279	70	40	EGIB	
[N-]=[N+]=NC(=O)c1cccc2c1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2	16930128	CWWXPXTZXAJCFZ-UHFFFAOYSA-N	339.223	3.165	70	40	EGIB	
COc1cccc(-c2noc(CNC(=O)/C=C/c3ccc(C)cc3)n2)c1	218181681	YMNOISPUGAWJCD-ZHACJKMWSA-N	349.390	3.383	70	40	EGIB	
CCOc1ccc(-c2nc(C(C)C)no2)cc1S(=O)(=O)Cl	59826038	ZSKUGFBUZMGVRM-UHFFFAOYSA-N	330.793	3.186	70	40	EGIB	
CN1CCC(CC(=O)NCCSCc2cccc(Cl)c2)CC1	216892905	OCQCFISGDLALFE-UHFFFAOYSA-N	340.920	3.421	70	40	EGIB	
CSc1ccc(/C=C/C(=O)NCC[C@@H](O)c2cccn2C)cc1	217939977	CTHOBYAESVQARB-PYUISTEWSA-N	330.453	3.000	70	40	EGIB	
COc1ccc(/C=C/C(=O)NCc2nc(-c3ccc(C)cc3)no2)cc1	217920685	IKPRVFHFPYJLBB-KPKJPENVSA-N	349.390	3.383	70	40	EGIB	
O=C1O[C@]2(CCCN(C(=O)CSC3CCCC3)C2)c2ccccc21	217594391	LOPPXJFVFXKAGM-IBGZPJMESA-N	345.464	3.351	70	40	EGIB	
CCCC(=O)N1CCC(c2nnc(-c3ccccc3OC)o2)CC1	216634212	OCWSAHXEUFWEGO-UHFFFAOYSA-N	329.400	3.251	70	40	EGIB	
CN1C(=O)CS[C@@H]1c1ccn(-c2cccc(Br)c2)c1	216705222	XAXIUOLTUIMASG-CQSZACIVSA-N	337.242	3.444	70	40	EGIB	
O=[N+]([O-])c1cc(S(=O)(=O)Cl)ccc1OCCC1CCCC1	103695073	YBNGFEFETHILKD-UHFFFAOYSA-N	333.793	3.481	70	40	EGIB	
CCCN(C[C@H]1CCCCO1)C(=O)Nc1ccc([S@@](C)=O)cc1	161124575	LWBONVVACYGPAP-CMJOXMDJSA-N	338.473	3.237	70	40	EGIB	
COc1ccc(-c2nnc([C@@H]3CCCN(C(=O)C(C)C)C3)o2)cc1	216663578	HBRAERLVKNFMJQ-CQSZACIVSA-N	329.400	3.107	70	40	EGIB	
O=C(c1ccc(F)cc1F)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1	217810927	HKTMIFPTTCXAPL-NSHDSACASA-N	347.365	3.320	70	40	EGIB	
CCCc1nc(-c2cc(S(=O)(=O)Cl)ccc2OCC)no1	59825956	DKIIDTNKWRXWIP-UHFFFAOYSA-N	330.793	3.015	70	40	EGIB	
CSc1nc(Nc2ccc(Cl)cc2)cc(N2CCN(C)CC2)n1	216851225	WOQQXBMBBRHZCQ-UHFFFAOYSA-N	349.891	3.347	70	40	EGIB	
Cc1cccc(C)c1OCC(=O)n1c(C)c(C(N)=O)c2ccccc21	218737396	DCWWDPNVVTYINU-UHFFFAOYSA-N	336.391	3.385	70	40	EGIB	
O=C(NCCn1ccnc1-c1ccccn1)c1cc2ccccc2o1	217860392	AHZPCNMNNYXJLH-UHFFFAOYSA-N	332.363	3.121	70	40	EGIB	
CCOc1ccc(CCCNC(=O)c2ccc(OC)c(OC)c2)cc1	217879236	NVISNFTWHKDBSS-UHFFFAOYSA-N	343.423	3.465	70	40	EGIB	
CSc1ccccc1Nc1cc(N2CCN(C)CC2)nc(C)n1	216850399	WNZYFAYMTOPUEX-UHFFFAOYSA-N	329.473	3.002	70	40	EGIB	
COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)Nc1ccccc1C	218013047	RJUSXGIRFAERCS-FQEVSTJZSA-N	340.423	3.349	70	40	EGIB	
CCc1ccc([C@H]2[C@@H](C(N)=S)[C@@H]2S(=O)(=O)c2ccccc2)cc1	218616905	SDPKDTJNWJCDHA-GVDBMIGSSA-N	345.489	3.091	70	40	EGIB	
CN1CCC[C@@H](C(=O)NCCSCc2cccc(Cl)c2)C1	216906165	NUIDYBUXRASCBQ-CQSZACIVSA-N	326.893	3.031	70	40	EGIB	
COc1ccc2c(c1)[C@H](NC(=O)CC1CCN(C)CC1)CC(C)(C)O2	216904860	KLWABUMZSHCIFU-QGZVFWFLSA-N	346.471	3.146	70	40	EGIB	
COC(=O)c1scc(-c2ccccc2F)c1S(=O)(=O)Cl	100027223	PEHMDALEKJPOAH-UHFFFAOYSA-N	334.777	3.268	70	40	EGIB	
Fc1ccc(N2CCO[C@H]2c2cn(Cc3ccccc3F)nn2)cc1	216770632	KHJQBMIRNSVHQA-SFHVURJKSA-N	342.349	3.140	70	40	EGIB	
O=C(Nc1cccnc1)Nc1ccc(S(=O)(=O)Cl)c(Cl)c1	95698250	VPWAYIVVEMOPIO-UHFFFAOYSA-N	346.195	3.307	70	40	EGIB	
O=S(=O)(Oc1ccc(OC(F)(F)F)c(Cl)c1)C(F)(F)F	245482341	LJQUENIOWSONKA-UHFFFAOYSA-N	344.616	3.467	70	40	EGIB	
COC(=O)CS[C@H]1CCN(C(=O)c2ccc(C(C)(C)C)cc2)C1	217565789	NHDYRWAIMOIHLI-HNNXBMFYSA-N	335.469	3.105	70	40	EGIB	
Cc1ccc([C@@H]2[C@@H](C(N)=S)[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1	218552752	WJWVWBUSRABZDL-BRWVUGGUSA-N	345.489	3.145	70	40	EGIB	
O=C1O[C@@]2(CCCN(C(=O)NCc3cccs3)C2)c2ccccc21	217610037	FHMQRXWAXFHAKF-GOSISDBHSA-N	342.420	3.119	70	40	EGIB	
COc1ccc(CCCNC(=O)/C=C/c2ccc3c(c2)OCO3)cc1	217928362	JDKDVBHFVCTLAY-YRNVUSSQSA-N	339.391	3.186	70	40	EGIB	
Cc1cc(C(=O)NCCn2nc(-c3ccsc3)cc2C2CC2)no1	217879111	GQNCFRJOTFFRLP-UHFFFAOYSA-N	342.424	3.215	70	40	EGIB	
Cc1ccccc1Cn1cc([C@@H]2OCCN2Cc2ccccc2)nn1	216771852	ZFRKJRPKDMQRLY-FQEVSTJZSA-N	334.423	3.166	70	40	EGIB	
O=[N+]([O-])c1ccc(N2CCc3ccccc32)c(CS(=O)(=O)F)c1	585135542	PRCNQVTXPJONNI-UHFFFAOYSA-N	336.344	3.088	70	40	EGIB	
CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCC1CCN(C)CC1	217035069	WSXAJYZZHQEQAU-KRWDZBQOSA-N	338.879	3.346	70	40	EGIB	
CN1CCN(c2cc(Nc3cc(Cl)cc(Cl)c3)ncn2)CC1	216847010	RWGJJMZWHZRDMI-UHFFFAOYSA-N	338.242	3.279	70	40	EGIB	
CC[C@H]1CCCCCN1C(=O)Cc1cccc(S(=O)(=O)CC)c1	160317330	FYNSKFNGSJFNGE-INIZCTEOSA-N	337.485	3.204	70	40	EGIB	
CSCC[C@@H](CO)NC(=O)c1cc(CC(C)C)nc2ccccc12	217707340	HUEKJPBWDGNDEQ-AWEZNQCLSA-N	346.496	3.277	70	40	EGIB	biogenic
CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCC1CCN(C)CC1	217026251	BTAUPGUOYCRROD-KRWDZBQOSA-N	338.879	3.346	70	40	EGIB	
CC[C@H](NC(=O)CCc1ccccc1)c1ccc(S(C)(=O)=O)cc1	218173661	BMBDATYCURSLMS-SFHVURJKSA-N	345.464	3.290	70	40	EGIB	
O=C(NCC[C@@H](O)c1ccsc1)c1ccccc1Br	217532310	JVAWQYZJRRZUOL-CYBMUJFWSA-N	340.242	3.364	70	40	EGIB	
COc1ccc([C@@H]2SCCN2C(=O)Cc2c(C)noc2C)cc1	217628855	SOAIPFRCCKFWAS-KRWDZBQOSA-N	332.425	3.117	70	40	EGIB	
C[C@@H]1[C@@H](c2ccccc2)O[B-](c2ccccc2)(c2ccccc2)N1C	221565865	SFIQEHFTNZMTTP-GCJKJVERSA-N	328.244	3.335	70	40	EGIB	
COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Cl	101374373	ABYSYBYMFKPVGA-UHFFFAOYSA-N	330.814	3.438	70	40	EGIB	
CC[C@@H](C)OCc1nn(CCC(F)(F)F)cc1S(=O)(=O)Cl	408715186	DWWSMTLKGFOILV-MRVPVSSYSA-N	348.774	3.078	70	40	EGIB	
COc1ccccc1CCCNC(=O)/C=C/c1ccc2c(c1)OCO2	217928152	ZUIGUXGSLAMFDF-PKNBQFBNSA-N	339.391	3.186	70	40	EGIB	
CSc1nc(Nc2ccc(C)c(C)c2)cc(N2CCN(C)CC2)n1	216850796	RUJRHJBECNFBNV-UHFFFAOYSA-N	343.500	3.311	70	40	EGIB	
CN1CCC(CCNC(=O)COc2ccc(C(C)(C)C)cc2)CC1	217011081	GDBARAFXQDFOLJ-UHFFFAOYSA-N	332.488	3.211	70	40	EGIB	
COc1ccc(OC[C@@H](C)NC(=O)Cc2ccc(Cl)cc2)cc1	218528529	MJBHBYCXXIGEEW-CYBMUJFWSA-N	333.815	3.475	70	40	EGIB	
O=C(NCCSC1CCOCC1)c1cccc(C(F)(F)F)c1	217701602	HZYVKEBCSJCEEP-UHFFFAOYSA-N	333.375	3.347	70	40	EGIB	
Cc1ccc(CSCCCNC(=O)CC2CCN(C)CC2)cc1	216903294	CWEWJCWUBNPPHH-UHFFFAOYSA-N	334.529	3.466	70	40	EGIB	
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1ccccc1	217823405	ZVRKXJVVULZFMN-KRWDZBQOSA-N	341.407	3.493	70	40	EGIB	
O=C(c1ccco1)N1CCC(c2nnc(-c3ccccc3F)o2)CC1	216630905	MMJAOWMZRLGSNV-UHFFFAOYSA-N	341.342	3.489	70	40	EGIB	
CCCCOC(=O)c1ccc(NC(=O)CC2CCN(C)CC2)cc1	216897316	MNNLZQHUDWFXBQ-UHFFFAOYSA-N	332.444	3.314	70	40	EGIB	
CC[C@H](C)OCc1nn(CCC(F)(F)F)cc1S(=O)(=O)Cl	408715187	DWWSMTLKGFOILV-QMMMGPOBSA-N	348.774	3.078	70	40	EGIB	
COc1ccccc1NC(=O)NC[C@@](C)(O)c1cc2ccccc2o1	218004373	QTDWBGGKEGNPBE-LJQANCHMSA-N	340.379	3.471	70	40	EGIB	
CN1CCC[C@H](C(=O)NCCCSc2ccc(Cl)cc2)C1	216916413	HSQJOEFCAPVKAR-ZDUSSCGKSA-N	326.893	3.280	70	40	EGIB	
Cc1ccc([C@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1C	218403286	WVYCKKJIAFPJEJ-AWEZNQCLSA-N	346.452	3.166	70	40	EGIB	
CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCC1CCN(C)CC1	217026211	BTAUPGUOYCRROD-QGZVFWFLSA-N	338.879	3.346	70	40	EGIB	
CCCN(C[C@@H]1CCCCO1)C(=O)Nc1ccc([S@@](C)=O)cc1	161124457	LWBONVVACYGPAP-WNSKOXEYSA-N	338.473	3.237	70	40	EGIB	
O=C(CCSc1ccccc1)NCCSC1CCOCC1	217701380	PQSJEHLNFDIIKA-UHFFFAOYSA-N	325.499	3.197	70	40	EGIB	
Cc1noc(C)c1CC(=O)NCc1cncc(-c2ccsc2)c1	217691147	VOGYESVNWGINMX-UHFFFAOYSA-N	327.409	3.274	70	40	EGIB	
O=C(NC[C@H]1CCCN(c2nccs2)C1)c1cc2ccccc2[nH]1	218147903	XWSHWXWQFFUXOC-CYBMUJFWSA-N	340.452	3.271	70	40	EGIB	
CN1CCC(C(=O)NCCCSCc2cccc(Cl)c2)CC1	216923780	VQGSJZKGXDCZBQ-UHFFFAOYSA-N	340.920	3.421	70	40	EGIB	
Cc1ccc(Cn2cc([C@@H]3OCCN3c3ccc(C)cc3)nn2)cc1	216760812	JBZDRTLOZMPGDU-FQEVSTJZSA-N	334.423	3.479	70	40	EGIB	
Cc1ccc(Cn2cc([C@@H]3OCCN3c3ccc(F)cc3)nn2)cc1	216770127	LFZGDCMANPNYSY-IBGZPJMESA-N	338.386	3.309	70	40	EGIB	
O=C(Cc1ccccc1Cl)Nc1cnn(CC2CCOCC2)c1	218219408	KJOTTYCFSXMZJF-UHFFFAOYSA-N	333.819	3.144	70	40	EGIB	
O=C(NC[C@](O)(c1ccccc1)C1CC1)c1ccc2ncsc2c1	217576909	RMXGVFAQNMPMLM-IBGZPJMESA-N	338.432	3.324	70	40	EGIB	
Cc1ccc([C@@H]2[C@H](C(N)=S)[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1	218552626	WJWVWBUSRABZDL-IXDOHACOSA-N	345.489	3.145	70	40	EGIB	
O=C(Cc1cccc2ccccc12)NCCSC1CCOCC1	217707025	LRIPZIQGDSSPHK-UHFFFAOYSA-N	329.465	3.411	70	40	EGIB	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NCCC1CCN(C)CC1	217014493	UNAMWIOPSSKJBE-INIZCTEOSA-N	340.467	3.455	70	40	EGIB	
COc1ccc(/C=C/C(=O)NCCCc2cccc(OC)c2)cc1	217917250	HKQQXPKQUBKYRK-JLHYYAGUSA-N	325.408	3.466	70	40	EGIB	
O=C(Nc1cccnc1)C(=O)N1CCC[C@@H]1c1ccccc1Cl	160689839	QZKLDRNQHNHBNU-OAHLLOKOSA-N	329.787	3.037	70	40	EGIB	
Cc1ccc(OCC(=O)n2c(C)c(C(N)=O)c3ccccc32)cc1C	218738603	TVVCYLOXZMILCZ-UHFFFAOYSA-N	336.391	3.385	70	40	EGIB	
Cn1cccc1[C@@H](O)CCNC(=O)Nc1cccc(C(F)(F)F)c1	217951261	QXKZXMSVSXKJMR-AWEZNQCLSA-N	341.333	3.289	70	40	EGIB	
Cc1cccc(Cn2cc([C@@H]3OCCN3Cc3ccccc3)nn2)c1	216771970	PHZSZFCXEUSLES-FQEVSTJZSA-N	334.423	3.166	70	40	EGIB	
CC[C@@H](NC(=O)N1CCN(Cc2ccccn2)CC1)c1cccs1	159500515	YGJRSTTZCLBRFA-MRXNPFEDSA-N	344.484	3.122	70	40	EGIB	
CN1CCC[C@H](C(=O)NCCCSCc2ccccc2Cl)C1	216916866	DJFOGBKYSBSFDQ-AWEZNQCLSA-N	340.920	3.421	70	40	EGIB	
CN(Cc1nc2cc(Br)ccc2[nH]1)CC1CCOCC1	161352260	YBXJDWPPGYGPGS-UHFFFAOYSA-N	338.249	3.184	70	40	EGIB	
CC(C)COc1ccc(S(=O)(=O)Cl)c(Br)c1	59107094	ITTQJQBFCMJIHF-UHFFFAOYSA-N	327.627	3.411	70	40	EGIB	
COc1ccccc1CCCNC(=O)COc1cc(C)cc(C)c1	218692328	DZVBRIPVTAKVEP-UHFFFAOYSA-N	327.424	3.440	70	40	EGIB	
CCOC(=O)c1c(S(=O)(=O)Cl)c(C)n(-c2ccccc2)c1C	95707904	BVFOSADNTRNLQQ-UHFFFAOYSA-N	341.816	3.198	70	40	EGIB	
CCc1ccc([C@@H]2[C@H](C(N)=S)[C@@H]2S(=O)(=O)c2ccccc2)cc1	218616666	SDPKDTJNWJCDHA-IXDOHACOSA-N	345.489	3.091	70	40	EGIB	
Cc1nc(-c2ccncc2)sc1C(=O)NC[C@@H]1C[C@@H]2C=C[C@H]1C2	218257633	YGVGZBUWXZIGMK-SNPRPXQTSA-N	325.437	3.456	70	40	EGIB	
O=C(NC(c1ccccc1)c1ccccc1)N1CC[C@@H](n2ccnn2)C1	217688739	DNORGPRBXJWOAP-GOSISDBHSA-N	347.422	3.024	70	40	EGIB	
CSC1C[C@@H]2CC[C@H](C1)N2C(=O)c1cncc(Br)c1	217685771	SCPXTBKFSIYYEI-FUNVUKJBSA-N	341.274	3.343	70	40	EGIB	
Cc1noc(C)c1C(=O)NC[C@](C)(O)c1cc2ccccc2s1	217509252	VTADHAHIKRVPPN-KRWDZBQOSA-N	330.409	3.144	70	40	EGIB	
C[Si](Cl)(O[Si](C)(Cl)c1ccccc1)c1ccccc1	195773700	AUWRUFAJYVQXSH-UHFFFAOYSA-N	327.359	3.439	70	40	EGIB	
Cc1noc(-c2c(NC(=O)c3ccoc3)sc3c2CCOC3)n1	217965252	OLYDVNWLVNJQIU-UHFFFAOYSA-N	331.353	3.025	70	40	EGIB	
COc1cccc(CCCNC(=O)COc2ccc(Cl)cc2)c1	217830033	ILMGUOPGALTHSK-UHFFFAOYSA-N	333.815	3.476	70	40	EGIB	
COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)/C=C/c1ccccc1	218006365	IRFMQQMJOZVYDH-VZOQVYJPSA-N	337.419	3.049	70	40	EGIB	
COC(=O)c1scc(-c2cccc(F)c2)c1S(=O)(=O)Cl	100027246	ISRQZZLNMYYJHR-UHFFFAOYSA-N	334.777	3.268	70	40	EGIB	in-vitro
Cc1ccc(CN2CCO[C@H]2c2cn(Cc3ccc(C)cc3)nn2)cc1	216773890	HSVASVKYKQNITK-NRFANRHFSA-N	348.450	3.474	70	40	EGIB	
CN1CCC[C@H](C(=O)NCCSCc2ccccc2Cl)C1	216906118	FUKXHHNMFDVXOB-ZDUSSCGKSA-N	326.893	3.031	70	40	EGIB	
CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCC1CCN(C)CC1	217027010	WUAHBULQFDXRFE-LJQANCHMSA-N	332.488	3.309	70	40	EGIB	
Cc1cccc(N2CCO[C@H]2c2cn(Cc3ccccc3C)nn2)c1	216758769	DMTFHHUQMQXYFE-FQEVSTJZSA-N	334.423	3.479	70	40	EGIB	
O=C1O[C@@]2(CCCN(C(=O)c3c[nH]c4ccccc34)C2)c2ccccc21	217597420	CBOSPKWXBISRQU-OAQYLSRUSA-N	346.386	3.470	70	40	EGIB	
Cc1nn(-c2cc(C)c3ccccc3n2)c(C)c1S(=O)(=O)Cl	103612875	SOFACWAPGAHRFM-UHFFFAOYSA-N	335.816	3.273	70	40	EGIB	
COc1ccc(CCCNC(=O)COc2ccc(Cl)cc2)cc1	217830146	KZGPFHRWGDSNSS-UHFFFAOYSA-N	333.815	3.476	70	40	EGIB	
COc1ccccc1CCCNC(=O)c1ccc(OC)c(OC)c1	217878996	VVLUTOBQVGQXBO-UHFFFAOYSA-N	329.396	3.075	70	40	EGIB	
CCOc1ccc(CNC(=O)c2ccccc2OC)cc1OCC	218167740	WMWKVRJSGOPFAP-UHFFFAOYSA-N	329.396	3.423	70	40	EGIB	
CCOc1ccc([C@H](C)NC(=O)C2CCN(C)CC2)cc1OCC	216921711	YHSQEFZPNCSDFF-AWEZNQCLSA-N	334.460	3.003	70	40	EGIB	
C[C@](O)(CNC(=O)c1cc(C2CC2)on1)c1cc2ccccc2s1	217506531	SEWUHJIBSSVIKY-SFHVURJKSA-N	342.420	3.404	70	40	EGIB	
Cc1cccc(OCC(=O)n2c(C)c(C(N)=O)c3ccccc32)c1C	216725648	WFAWMWJUGDRACJ-UHFFFAOYSA-N	336.391	3.385	70	40	EGIB	
Cc1cc(C(=O)NCc2nn(C3CCCC3)c3c2COCC3)c(C)o1	217586575	WLVJCKQIQFRZEB-UHFFFAOYSA-N	343.427	3.211	70	40	EGIB	
CSc1nc(C)cc(Nc2ccc(S(=O)(=O)Cl)cc2)n1	226105412	CGVOYBFOZLKQOZ-UHFFFAOYSA-N	329.834	3.178	70	40	EGIB	
CC[C@@H](NC(=O)CCc1ccccc1)c1ccc(S(C)(=O)=O)cc1	218173587	BMBDATYCURSLMS-GOSISDBHSA-N	345.464	3.290	70	40	EGIB	
COc1ccc(O[C@H](C)C(=O)N[C@H](C)COc2ccc(C)cc2)cc1	218750701	RDQKQWUYLVDUQZ-HZPDHXFCSA-N	343.423	3.355	70	40	EGIB	
Fc1ccc(N2CCO[C@@H]2c2cn(Cc3ccccc3F)nn2)cc1	216770584	KHJQBMIRNSVHQA-GOSISDBHSA-N	342.349	3.140	70	40	EGIB	
CSc1nc(Nc2cc(C)cc(C)c2)cc(N2CCN(C)CC2)n1	216850833	XSWMAZQRQSPZEE-UHFFFAOYSA-N	343.500	3.311	70	40	EGIB	
COc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1	218698836	PPZOXMGGUUWDFB-ZIAGYGMSSA-N	347.386	3.185	70	40	EGIB	
CSc1nc(Nc2ccccc2Cl)cc(N2CCN(C)CC2)n1	216851152	MAJNXQORVJMKPD-UHFFFAOYSA-N	349.891	3.347	70	40	EGIB	
COc1ccc(OC[C@H](C)NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1	218699065	PPZOXMGGUUWDFB-KBPBESRZSA-N	347.386	3.185	70	40	EGIB	
Cc1ccc(OC[C@H](C)NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1	218700923	KJWRCPITSVKZBQ-LSDHHAIUSA-N	331.387	3.485	70	40	EGIB	
COc1ccccc1OCC(=O)NCCCc1ccc(Cl)cc1	217945391	ZVMBHCAZPZNGNE-UHFFFAOYSA-N	333.815	3.476	70	40	EGIB	
Cc1nc(Nc2ccc(F)c(Cl)c2)cc(N2CCN(C)CC2)n1	216849449	ZTFVOZMUNXATTA-UHFFFAOYSA-N	335.814	3.073	70	40	EGIB	
Cc1ccccc1Cn1cc([C@@H]2OCCN2c2ccc(F)cc2)nn1	216769913	AJUFFYSVCNUXLK-IBGZPJMESA-N	338.386	3.309	70	40	EGIB	
Cc1cc(-c2cccs2)nn1CCNC(=O)Cc1ccsc1	217875153	PPHZYWVHLCUVCT-UHFFFAOYSA-N	331.466	3.340	70	40	EGIB	
CC1(C)[C@@H]2CC[C@]1(C)[C@H](NC(=O)[C@]13CC[C@@](C)(C(=O)O1)C3(C)C)C2	217532065	UZYILRDLSOMIFM-DWPFRNKMSA-N	333.472	3.439	70	40	EGIB	
O=C(NCC[C@H](O)c1ccsc1)c1cc(-c2ccccc2)on1	217531027	REXPPEYIXZHEJB-HNNXBMFYSA-N	328.393	3.257	70	40	EGIB	
CCc1ccc(OCC(=O)n2c(C)c(C(N)=O)c3ccccc32)cc1	216724636	SAFUZYYSTJAXBJ-UHFFFAOYSA-N	336.391	3.330	70	40	EGIB	
Cc1cc(C)cc(CSCC(=O)NCCC2CCN(C)CC2)c1	216928626	FFQZMEQHHSDKQK-UHFFFAOYSA-N	334.529	3.385	70	40	EGIB	
CCOc1ccc(-c2noc(C(C)(C)C)n2)cc1S(=O)(=O)Cl	59826091	NUMXQMMDCDRSSC-UHFFFAOYSA-N	344.820	3.360	70	40	EGIB	
COc1ccc(OC[C@H](C)NC(=O)CSc2ccccc2)cc1	217971160	MAHFZJPQWQJAJE-AWEZNQCLSA-N	331.437	3.371	70	40	EGIB	
Cc1ccc([C@H](C)NC(=O)c2ccccc2NS(C)(=O)=O)cc1C	218397971	BBPCHWPHAXMALG-AWEZNQCLSA-N	346.452	3.166	70	40	EGIB	
Cc1nnsc1C(=O)N(Cc1cc(C2CC2)n(C)n1)C1CCCC1	217899810	KGNUQVGBTGSJSY-UHFFFAOYSA-N	345.472	3.042	70	40	EGIB	
O=C1O[C@]2(CCCN(C(=O)c3cc4ccccc4[nH]3)C2)c2ccccc21	217586480	UMOBCAACLHCLGT-NRFANRHFSA-N	346.386	3.470	70	40	EGIB	
CCOc1cc(-c2nnc(N)o2)ccc1OCc1cccc(F)c1	216823358	BDDGFCGBHBAQKT-UHFFFAOYSA-N	329.331	3.436	70	40	EGIB	
C[C@](O)(CNC(=O)COc1ccccc1)c1cc2ccccc2s1	217499253	IBUGXAMECCPQTI-IBGZPJMESA-N	341.432	3.304	70	40	EGIB	
CCCCn1c(=O)n(CCCC)c2cc(S(=O)(=O)Cl)ccc21	222646986	NPDRZIJDZKUUMZ-UHFFFAOYSA-N	344.864	3.331	70	40	EGIB	
CC(C)(C)c1ccc(NC(=O)NCC[C@@H](O)C2CCOCC2)cc1	217929851	RZHVUWKLNTZADW-QGZVFWFLSA-N	334.460	3.283	70	40	EGIB	
Cc1csc(C(=O)N2CCC[C@H](Cc3nc(C4CC4)no3)C2)c1	217813781	GOOLROHFTHEJQK-GFCCVEGCSA-N	331.441	3.412	70	40	EGIB	
CC(C)COc1ccc(Br)c(S(=O)(=O)Cl)c1	103700325	UKRIKWDDOLNAAY-UHFFFAOYSA-N	327.627	3.411	70	40	EGIB	
COc1ccc(C(=O)NC[C@](C)(O)c2cc3ccccc3o2)cc1F	217994276	TUTQEMMKSPDNJD-IBGZPJMESA-N	343.354	3.218	70	40	EGIB	
O=C(Nc1ccc(S(=O)(=O)F)cc1)[C@H]1C[C@@H]1c1ccc(F)cc1	97977143	FJOZYXBFCPEGRF-CABCVRRESA-N	337.347	3.226	70	40	EGIB	
O=C(NCC[C@H](O)c1ccsc1)NC12CC3CC(CC(C3)C1)C2	217546912	KRUQTACOYRZIAP-IEKYFPHUSA-N	334.485	3.440	70	40	EGIB	
COc1cccc(N2CCN(Cc3csc(C4CC4)n3)CC2)c1	161286390	GDTQGNHHONNVET-UHFFFAOYSA-N	329.469	3.351	70	40	EGIB	
CN(C)c1ccc(-c2nnc(-c3ccc(S(=O)(=O)F)cc3)o2)cc1	33354500	MRSFLTNXXCHBKQ-UHFFFAOYSA-N	347.371	3.128	70	40	EGIB	
CCCC(=O)N1CCC[C@@H](c2nnc(-c3ccc(OC)cc3)o2)C1	216656256	WXPXVZZCMNREDY-CQSZACIVSA-N	329.400	3.251	70	40	EGIB	
O=C(NCCCc1ccc(Cl)cc1)[C@H]1COc2ccccc2O1	218297756	BJCXLOLPQCHMSE-QGZVFWFLSA-N	331.799	3.229	70	40	EGIB	
COc1cccc(-c2nnc([C@@H]3CCCN(C(=O)C(C)C)C3)o2)c1	216663253	XDLPPJPQGBWFAA-CQSZACIVSA-N	329.400	3.107	70	40	EGIB	
Cc1ccc([C@H]2[C@H](C(N)=S)[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1	218552690	WJWVWBUSRABZDL-YESZJQIVSA-N	345.489	3.145	70	40	EGIB	
COc1ccccc1NC(=O)NCCn1ccc(-c2ccsc2)n1	217890037	VBQBUSMTJGZWHR-UHFFFAOYSA-N	342.424	3.442	70	40	EGIB	
Cc1cc(C)c(S(=O)(=O)NCC[C@H](O)c2ccsc2)cc1C	217536553	NSCPDKWAHWBOOO-HNNXBMFYSA-N	339.482	3.075	70	40	EGIB