smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C(F)[C@@](F)(C(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)F	97949936	NUADMSFQLMGZCG-REOHCLBHSA-N	330.099	2.281	70	40	EEIB	
COC(=O)CS[C@@H]1CCN(C(=O)Cc2ccccc2Cl)C1	217553801	VPCXFXHLXCNYTA-GFCCVEGCSA-N	327.833	2.390	70	40	EEIB	
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)F)cc1	100482146	OXXPPRSUWMHQMW-UHFFFAOYSA-N	338.316	2.434	70	40	EEIB	
CC(C)CCc1nc2ccc(S(=O)(=O)Cl)cc2c(=O)n1C	256050606	FSMPQHZFJFTZEZ-UHFFFAOYSA-N	328.821	2.450	70	40	EEIB	
COc1ccc([C@@H]2CCCN2C(=O)N[C@H]2CCc3ncnn3C2)cc1	160988015	PEWOJKUEYCSPMI-HOCLYGCPSA-N	341.415	2.148	70	40	EEIB	
CCS(=O)(=O)N1CCC[C@H](c2nnc(-c3ccc(F)cc3)o2)C1	216641528	GUYLQHCMSXOGLV-LBPRGKRZSA-N	339.392	2.405	70	40	EEIB	
COC(=O)CS[C@H]1CCN(C(=O)c2ccc3ccccc3n2)C1	217565482	RCLRYHMLYSSVQD-ZDUSSCGKSA-N	330.409	2.356	70	40	EEIB	
O=S(=O)(Oc1cncc(C(F)(F)C(F)(F)F)n1)C(F)(F)F	97950052	WCUNYYYVJZQZQP-UHFFFAOYSA-N	346.155	2.359	70	40	EEIB	
O=S(=O)(Nc1cnn(CC2CCOCC2)c1)c1cccc(F)c1	218242871	PNZICDBVFBICPG-UHFFFAOYSA-N	339.392	2.250	70	40	EEIB	
O=S(=O)(OC[C@@H](Br)C(F)(F)F)C(F)(F)F	1083812527	NYSNODPXQQVJHJ-UWTATZPHSA-N	325.024	2.178	70	40	EEIB	
Cc1cc(N2CCC[C@H]2CN2CCOCC2)nc(-c2ccncc2)n1	160405963	VCOXSMFRGBUIHS-KRWDZBQOSA-N	339.443	2.148	70	40	EEIB	
C[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)Cl)cc2)C[C@@H](C)O1	218787112	KUTHAUXBCZLMQO-NXEZZACHSA-N	332.809	2.255	70	40	EEIB	
O=C(Nc1cnn(CC2CCOCC2)c1)c1noc2c1CCCC2	218230146	VHAQDTWVBSSDHS-UHFFFAOYSA-N	330.388	2.429	70	40	EEIB	
O=C(Cn1cc(-c2ccccc2)ncc1=O)NC[C@@H]1C[C@@H]2C=C[C@H]1C2	218231810	VGUASAWZONSYCT-PVAVHDDUSA-N	335.407	2.239	70	40	EEIB	
Cc1c(Cl)cccc1NC(=O)C(=O)NCC[C@H](O)c1cccn1C	217948440	JJESSMZOWTUDHP-HNNXBMFYSA-N	349.818	2.165	70	40	EEIB	
CCc1ncnc(N2CCN(C[C@H](O)c3ccccc3)CC2)c1F	159402278	OOFALEPBTDNJJR-INIZCTEOSA-N	330.407	2.034	70	40	EEIB	
C[C@@H](CNC(=O)Nc1ccnn1C[C@@H]1CCOC1)c1nccs1	159936985	ZYWTYCMGYFMDQE-RYUDHWBXSA-N	335.433	2.301	70	40	EEIB	
CCOP(=O)(OCC)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	217382464	NYIGRAVFMWIUSN-QWHCGFSZSA-N	326.333	2.449	70	40	EEIB	
CS(=O)(=O)N1CCC(c2nnc(-c3ccccc3F)o2)CC1	216629303	WQJLOBMAKKCDIS-UHFFFAOYSA-N	325.365	2.015	70	40	EEIB	
CN1CCC(CCNS(=O)(=O)Cc2cccc(Cl)c2)CC1	216948123	UYEGVCQVHRYPLC-UHFFFAOYSA-N	330.881	2.491	70	40	EEIB	
CCOc1ccccc1NC(=O)C(=O)NCC[C@@H](O)c1ccsc1	217542741	ZDTURLREBSYFDZ-CQSZACIVSA-N	348.424	2.325	70	40	EEIB	
COc1ccc([C@@H]2CCCN2C(=O)N[C@@H]2CCc3ncnn3C2)cc1	160987754	PEWOJKUEYCSPMI-ZBFHGGJFSA-N	341.415	2.148	70	40	EEIB	
CC[C@@H](NC(=O)N1CCN(Cc2ccccn2)CC1)c1ccncc1	160357779	CRMHYATWCFXPIG-GOSISDBHSA-N	339.443	2.455	70	40	EEIB	
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(S(=O)(=O)F)c1	104093115	ORUCOYMKSPVJBT-UHFFFAOYSA-N	338.316	2.434	70	40	EEIB	
COc1ccc(C)cc1S(=O)(=O)NCCSC1CCOCC1	217710248	YJJKVXNZMLKOTP-UHFFFAOYSA-N	345.486	2.194	70	40	EEIB	
O=C(OCc1ccccc1)N1[C@H]2CC[C@H]1[C@@H](S(=O)(=O)Cl)C2	584905818	DLPSVEAQZKXGCJ-AVGNSLFASA-N	329.805	2.497	70	40	EEIB	
O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cccc(S(=O)(=O)F)c1	104170269	DXVWNBNRLBEYDW-UHFFFAOYSA-N	338.316	2.434	70	40	EEIB	
CCS(=O)(=O)N1CCC[C@@H](c2nnc(-c3ccccc3F)o2)C1	216643624	BOXKYHMASUPLAL-LLVKDONJSA-N	339.392	2.405	70	40	EEIB	
O=C(NCCC[C@@H]1CCCCO1)N1CCN(Cc2ccccn2)CC1	161254982	LUSJKIXASMWEHC-SFHVURJKSA-N	346.475	2.258	70	40	EEIB	
O=S(=O)(c1cccs1)N1CC(n2cc(-c3ccccc3)nn2)C1	217673765	GDIPPDFBGCMYAW-UHFFFAOYSA-N	346.437	2.252	70	40	EEIB	
CC(=O)OC(C)(C)C(=O)N1CCC[C@H](Cc2nc(C3CC3)no2)C1	217816566	XJXIOFKDIPYFOZ-GFCCVEGCSA-N	335.404	2.070	70	40	EEIB	
CCOC(=O)[C@H](CCc1ccccc1)OS(=O)(=O)C(F)(F)F	72400332	UDJNHUAEPSYCRU-NSHDSACASA-N	340.319	2.417	70	40	EEIB	in-vitro
O=C(Nc1ccc(S(=O)(=O)Cl)cc1Cl)N1CCOCC1	95698273	UKGKRQCAONOPSF-UHFFFAOYSA-N	339.200	2.132	70	40	EEIB	
O=C(NCC[C@@H](O)C1CCOCC1)c1cc(Br)cs1	217921274	OMFGXBCACHPAQE-LLVKDONJSA-N	348.262	2.418	70	40	EEIB	
CN1CCC(CCNS(=O)(=O)Cc2ccc(Cl)cc2)CC1	216948259	OSRGXPZFMNSRSA-UHFFFAOYSA-N	330.881	2.491	70	40	EEIB	
Cc1noc(C)c1[C@H](C)NC(=O)N1CCN(Cc2ccccn2)CC1	160210672	YYQZSPPPNKTPPJ-ZDUSSCGKSA-N	343.431	2.275	70	40	EEIB	
COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1ccoc1	217965503	ZGVSLRLYAKWIAJ-JSGCOSHPSA-N	333.315	2.254	70	40	EEIB	
O=C(Cc1c(F)cccc1Cl)NCC[C@H](O)C1CCOCC1	217920985	FSCKDTHYULYBNR-HNNXBMFYSA-N	329.799	2.315	70	40	EEIB	
O=C(F)[C@](F)(C(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)F	97949935	NUADMSFQLMGZCG-UWTATZPHSA-N	330.099	2.281	70	40	EEIB	
Cc1ccc(S(=O)(=O)NCC[C@@H](O)C2CCOCC2)cc1Cl	217924162	ISYBZAWUVZJXAQ-OAHLLOKOSA-N	347.864	2.104	70	40	EEIB	
Cc1cc2ncc3c(n2n1)CCN(C(=O)CCc1c(C)noc1C)C3	217711679	SRFRLRPCDSHEIC-UHFFFAOYSA-N	339.399	2.160	70	40	EEIB	
C[C@@]1(CNC(=O)N2CCN(Cc3ccccn3)CC2)CCCS1	160708432	CYXUZNJPKFWXTI-KRWDZBQOSA-N	334.489	2.195	70	40	EEIB	
COc1ccc(Nc2cc(N3CCN(C)CC3)nc(C)n2)cc1OC	216849981	WOGYSCDJVIBIQH-UHFFFAOYSA-N	343.431	2.298	70	40	EEIB	
CN(C)CCN(C(=O)c1ccc2ccccc2n1)C1CCOCC1	217284268	IQBWNCJGXNNFGO-UHFFFAOYSA-N	327.428	2.418	70	40	EEIB	
O=C(NCCn1cnc(C2CCCC2)cc1=O)NCc1ccccc1	217477769	HQBUGUNGGFKANI-UHFFFAOYSA-N	340.427	2.400	70	40	EEIB	
O=C(c1ccc(-c2ccsc2)cc1)N1CC(N2C(=O)CCC2=O)C1	217716029	WCJRRPRMAPDIQE-UHFFFAOYSA-N	340.404	2.389	70	40	EEIB	
O=C(/C=C/c1ccco1)N[C@H](CN1C(=O)COC1=O)c1ccccc1	217979461	VKNKSZRCFRTJOP-XVJNWHFHSA-N	340.335	2.129	70	40	EEIB	
O=C(CCN1C(=O)CC2(CCCC2)C1=O)NC[C@@H]1C[C@@H]2C=C[C@@H]1C2	218072161	YFEONNGHNCKWDH-KFWWJZLASA-N	330.428	2.024	70	40	EEIB	
Cn1cccc1[C@H](O)CCNC(=O)c1ccc(Br)o1	217936137	KBZWMNAJAKVMQZ-SNVBAGLBSA-N	327.178	2.234	70	40	EEIB	
COC(=O)c1ccc(Nc2cc(N3CCN(C)CC3)nc(C)n2)cc1	216850180	ZBOGNTKGOKRUNB-UHFFFAOYSA-N	341.415	2.067	70	40	EEIB	
CC(=O)Nc1ccc(CC(=O)NCCSC2CCOCC2)cc1	217704678	IXUXZKHSWOYBHV-UHFFFAOYSA-N	336.457	2.216	70	40	EEIB	
CS(=O)(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1	216671577	JUBJMPILZHQKBV-NSHDSACASA-N	325.365	2.015	70	40	EEIB	
O=S(=O)(NCCSC1CCOCC1)c1c(F)cccc1F	217710017	GNWYVPBAZPTUNN-UHFFFAOYSA-N	337.413	2.155	70	40	EEIB	
Cc1ccc(NC(=O)CN2CCOC[C@H]2C[C@H](O)c2ccco2)cc1	159598657	DHSOJMFERXAQFR-SJORKVTESA-N	344.411	2.351	70	40	EEIB	
CS(=O)(=O)N1CCC[C@H](c2nnc(-c3ccccc3F)o2)C1	216643556	YWBCWNQBYPVRJS-JTQLQIEISA-N	325.365	2.015	70	40	EEIB	
O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)[C@H]1CSCN1	159997028	YZWGFYUCFXPUDN-GFCCVEGCSA-N	342.346	2.492	70	40	EEIB	
Cc1cc(N2CCCCS2(=O)=O)cc(C)c1S(=O)(=O)Cl	100647000	AKVPVDUAZAKMMW-UHFFFAOYSA-N	337.850	2.161	70	40	EEIB	
Cc1cc(O[C@@H]2CCN(C(=O)c3ccc(F)c(F)c3)C2)cc(=O)n1C	217771250	LXCLSBGXIGCLJK-CYBMUJFWSA-N	348.349	2.265	70	40	EEIB	
CN1CCC(CCNS(=O)(=O)Cc2ccccc2Cl)CC1	216947976	GKOXMQKXXYNYED-UHFFFAOYSA-N	330.881	2.491	70	40	EEIB	
O=C(c1ccc(Br)o1)N1CC(Oc2nccs2)C1	218783543	BGIUNPUBWSGEBY-UHFFFAOYSA-N	329.175	2.402	70	40	EEIB	
O=C(c1cccc(Cl)c1)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1	217731722	RIYQKUBTKJMJMH-HUUCEWRRSA-N	344.798	2.116	70	40	EEIB	
CC(C)c1cc(CNC(=O)N2CCN(Cc3ccccn3)CC2)on1	160224969	IPMOMYYMGACGBV-UHFFFAOYSA-N	343.431	2.220	70	40	EEIB	
Cc1cccc(CS(=O)(=O)NCCSC2CCOCC2)c1	217709583	KGGWAZWXNYAOOO-UHFFFAOYSA-N	329.487	2.327	70	40	EEIB	
COC(=O)CS[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)C1	217562601	GKEMSRNSXRZGOE-CYBMUJFWSA-N	345.424	2.197	70	40	EEIB	
O=S(=O)(Cl)c1cccc(S(=O)(=O)N2CCCCCC2)c1	100641868	HNDYNMXDKGPIJL-UHFFFAOYSA-N	337.850	2.179	70	40	EEIB	
O=C(CCc1ccccc1F)N1CC[C@H](N2C(=O)CSC2=O)C1	217783812	XLXIJPNDPMXLDN-LBPRGKRZSA-N	336.388	2.055	70	40	EEIB	
Cc1nnsc1C(=O)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1	217811484	HXVPYTGSUNHMAZ-JTQLQIEISA-N	333.417	2.202	70	40	EEIB	
COC(=O)CS[C@@H]1CCN(S(=O)(=O)c2cccc(Cl)c2)C1	217567563	UNPLYHTZAFGQTM-LLVKDONJSA-N	349.861	2.009	70	40	EEIB	
COc1ccc(S(=O)(=O)Cl)cc1CCC(=O)N1CCCC1	100026982	FMTPXRQKBJWVIE-UHFFFAOYSA-N	331.821	2.178	70	40	EEIB	
COC(CN1CCCN(C(=O)c2ccc(Cl)cc2)CC1)OC	160683303	WQUFHXXVKZBGNK-UHFFFAOYSA-N	326.824	2.107	70	40	EEIB	
Cc1nnsc1C(=O)N1CCC[C@H](Cc2nc(C3CC3)no2)C1	217811399	HXVPYTGSUNHMAZ-SNVBAGLBSA-N	333.417	2.202	70	40	EEIB	
O=C(COc1ccc(F)cc1)NCCn1ccnc1-c1cccnc1	217867260	PCMSCEXAIVRIOM-UHFFFAOYSA-N	340.358	2.279	70	40	EEIB	
CC[C@@H](NCc1ccc(N2CCN(CC)CC2)nc1)c1cnn(C)c1	159465262	LQJQPDISYGNTJX-GOSISDBHSA-N	342.491	2.198	70	40	EEIB	
O=S(=O)(Cc1ccccc1)Nc1cnn(CC2CCOCC2)c1	218241392	CYRCVGKUCHUPDC-UHFFFAOYSA-N	335.429	2.252	70	40	EEIB	
COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1ccoc1	217965678	ZGVSLRLYAKWIAJ-OCCSQVGLSA-N	333.315	2.254	70	40	EEIB	
C1CCC(CNC2CCC3(CC2)OCCO3)(N2CCOCC2)CC1	161243229	MRQIMMYIGZKHCA-UHFFFAOYSA-N	338.492	2.297	70	40	EEIB	
Cc1cc(O[C@@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)cc(=O)n1C	217771062	OPOOUBBFCLROIF-MRXNPFEDSA-N	344.386	2.055	70	40	EEIB	
Cc1cc(O[C@H]2CCN(C(=O)c3ccc(F)c(F)c3)C2)cc(=O)n1C	217771351	LXCLSBGXIGCLJK-ZDUSSCGKSA-N	348.349	2.265	70	40	EEIB	
Cc1noc(C)c1CCC(=O)Nc1cnn(CC2CCOCC2)c1	218200893	WKRUUPWWMKBADR-UHFFFAOYSA-N	332.404	2.486	70	40	EEIB	
O=C(/C=C/c1ccccc1Cl)N1CC(N2C(=O)CSC2=O)C1	217746090	ISACRTIZORZPLG-AATRIKPKSA-N	336.800	2.259	70	40	EEIB	
O=[N+]([O-])c1c2c(cc(F)c1OS(=O)(=O)C(F)(F)F)CCC2	2088617631	ITTMHGGVYRAJDE-UHFFFAOYSA-N	329.227	2.451	70	40	EEIB	
Cc1cc(OC2CCN(C(=O)Cc3cccs3)CC2)cc(=O)n1C	217776249	SBYFPUYSOUKYNN-UHFFFAOYSA-N	346.452	2.368	70	40	EEIB	
COc1ccccc1[C@H](O)CNS(=O)(=O)c1cc(C)ccc1C	159379450	DOPMGYSAIJCNCT-OAHLLOKOSA-N	335.425	2.324	70	40	EEIB	
COc1ccc(NC(=O)[C@H]2CC[C@H](Cn3cnnn3)CC2)c(OC)c1	218108782	QENZKUVMDMQRLF-BETUJISGSA-N	345.403	2.135	70	40	EEIB	
COc1ccc(OC[C@H](C)NC(=O)[C@H]2COc3ccccc3O2)cc1	218298221	PRXJITISNSDSQV-SCLBCKFNSA-N	343.379	2.419	70	40	EEIB	
CS(=O)(=O)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1	217802967	LTMWCSMMYUZJGK-NSHDSACASA-N	339.392	2.090	70	40	EEIB	
O=C1c2cnn(-c3ccncc3)c2-c2cccc(S(=O)(=O)Cl)c21	218817714	IQHZTBKXRBSURT-UHFFFAOYSA-N	345.767	2.406	70	40	EEIB	
Cn1cc(S(=O)(=O)NCC2(c3ccsc3)CCCC2)cn1	217583425	SUCIHPYSXKLFRL-UHFFFAOYSA-N	325.459	2.272	70	40	EEIB	
O=C(Cc1cccc2ccccc12)N1CC(N2C(=O)CSC2=O)C1	217746551	OSHRVWOWOGDAPW-UHFFFAOYSA-N	340.404	2.289	70	40	EEIB	
CCC(=O)c1cccc(S(=O)(=O)Nc2ccc3[nH]nnc3c2)c1	160070201	ZPCJEEPBPKUDSB-UHFFFAOYSA-N	330.369	2.351	70	40	EEIB	
COC(=O)c1cc(F)cc(S(=O)(=O)Cl)c1Br	59261898	MZGZZZUZCZDSRG-UHFFFAOYSA-N	331.546	2.302	70	40	EEIB	in-vitro
CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1	218393706	PZYWAULCDWRFPC-TYNCELHUSA-N	338.835	2.216	70	40	EEIB	
Cn1cc(C(=O)NCCn2nc(-c3ccsc3)cc2C2CC2)nn1	217879829	PMUHYMHVMMIMMQ-UHFFFAOYSA-N	342.428	2.048	70	40	EEIB	
O=C(/C=C/c1ccc2c(c1)OCO2)NCCSC1CCOCC1	217701936	OOKNPNCGBNLZJK-DUXPYHPUSA-N	335.425	2.457	70	40	EEIB	
COC(=O)c1cc(S(=O)(=O)NCc2ccncc2)ccc1Cl	159560900	UUNVIALVAAMKQW-UHFFFAOYSA-N	340.788	2.000	70	40	EEIB	
O=C(NCCn1ccnc1-c1ccccn1)c1ccc2c(c1)OCO2	217858200	TYLGYCYYDCLYKM-UHFFFAOYSA-N	336.351	2.104	70	40	EEIB	
COc1ccc(OC[C@@H](C)NC(=O)[C@H]2COc3ccccc3O2)cc1	218298171	PRXJITISNSDSQV-FZKQIMNGSA-N	343.379	2.419	70	40	EEIB	
COc1cccc(Cl)c1CC(=O)N[C@@](C)(C(N)=O)c1ccccc1	160714034	HTYCKBUCUIORNX-GOSISDBHSA-N	346.814	2.408	70	40	EEIB	
CCS(=O)(=O)N1CCC(c2nnc(-c3ccccc3F)o2)CC1	216629367	XEZWZCZNFFZMIT-UHFFFAOYSA-N	339.392	2.405	70	40	EEIB	
COc1ncccc1C(=O)N1CCC[C@]2(C1)OC(=O)c1ccccc12	217587127	SJUAAWZVMUFRGG-LJQANCHMSA-N	338.363	2.392	70	40	EEIB	
Cc1c(NC(=O)CC2CCN(C)CC2)c(=O)n(-c2ccccc2)n1C	216893342	GZYADFNQOUVFDG-UHFFFAOYSA-N	342.443	2.155	70	40	EEIB	
O=C(COc1ccc(S(=O)(=O)Cl)cc1Cl)N1CCCC1	100010187	QHBDITPKEAEUBD-UHFFFAOYSA-N	338.212	2.269	70	40	EEIB	
Cc1ccccc1OCC(=O)NCCn1ccnc1-c1ccccn1	217859157	WVCLNMNOCRELTK-UHFFFAOYSA-N	336.395	2.449	70	40	EEIB	
CCc1ccc(S(=O)(=O)Cl)c(CC)c1N1C(=O)C=CC1=O	110167180	HPWGOHJKGYVHPS-UHFFFAOYSA-N	327.789	2.168	70	40	EEIB	
COc1ccc([C@@H](O)CNC(=O)c2ccc(F)c(F)c2)cc1OC	217495704	MMSHWDPXPRZEQE-AWEZNQCLSA-N	337.322	2.445	70	40	EEIB	
C[C@H]1CN(C(=O)Nc2ccc(S(=O)(=O)Cl)cc2)C[C@@H](C)O1	218787190	KUTHAUXBCZLMQO-AOOOYVTPSA-N	332.809	2.255	70	40	EEIB	
CNC(=O)[C@H](C)CN(C)Cc1nc2cc(Br)ccc2[nH]1	159988476	YTXJMEKXHHZKGQ-SECBINFHSA-N	339.237	2.139	70	40	EEIB	
O=C(Nc1nc2c(s1)CCCC2)[C@H]1CC[C@H](Cn2cnnn2)CC1	218114900	LMWNEZXYMVHUAG-TXEJJXNPSA-N	346.460	2.454	70	40	EEIB	
CS(=O)(=O)N1CCC[C@@H](c2nnc(-c3ccc(F)cc3)o2)C1	216641380	GEELPZKYKDRERI-LLVKDONJSA-N	325.365	2.015	70	40	EEIB	
O=C(Cn1cc(-c2ccccc2)ncc1=O)NC[C@H]1C[C@@H]2C=C[C@H]1C2	218231892	VGUASAWZONSYCT-HYVNUMGLSA-N	335.407	2.239	70	40	EEIB	
COc1cc(S(=O)(=O)F)ccc1OCc1noc(C2CC2)n1	1615571797	QBMIXPJYOYMBEV-UHFFFAOYSA-N	328.321	2.193	70	40	EEIB	
COC(=O)CS[C@H]1CCN(C(=O)Cc2ccccc2Cl)C1	217553866	VPCXFXHLXCNYTA-LBPRGKRZSA-N	327.833	2.390	70	40	EEIB	
CC(C)NC(=O)COc1ccc(S(=O)(=O)Cl)cc1Cl	110749210	HNCYGGPUYNJCFI-UHFFFAOYSA-N	326.201	2.171	70	40	EEIB	
COC(=O)CS[C@@H]1CCN(C(=O)COc2ccc(Cl)cc2)C1	217555874	JZOICJBYNYQZCD-CYBMUJFWSA-N	343.832	2.226	70	40	EEIB	
N=C(N)CN(c1cccc(F)c1)S(=O)(=O)c1ccc(F)cc1	217352163	YEUCHQJYANIMFO-UHFFFAOYSA-N	325.340	2.096	70	40	EEIB	
O=C(NCC[C@H](O)c1ccsc1)C(=O)Nc1ccc(F)cc1F	217542093	WDTZTMNQLHWNIW-ZDUSSCGKSA-N	340.351	2.205	70	40	EEIB	
O=C(N1CCC(n2ccnn2)CC1)C1(c2ccccc2)CCOCC1	217689914	VMMFDNMPYOZBKZ-UHFFFAOYSA-N	340.427	2.190	70	40	EEIB	
CCOC(=O)CCC(=O)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1	217807518	XEXOWSONPGXYGT-LBPRGKRZSA-N	335.404	2.071	70	40	EEIB	
O=C(NCc1cc(F)ccc1F)N1CCN(Cc2ccccn2)CC1	160074821	RJLQLCCXLHWENV-UHFFFAOYSA-N	346.381	2.387	70	40	EEIB	
COC(=O)CS[C@@H]1CCN(C(=O)c2ccc3ccccc3n2)C1	217565414	RCLRYHMLYSSVQD-CYBMUJFWSA-N	330.409	2.356	70	40	EEIB	
CN1CCC(CC(=O)NCc2ccccc2CN2CCCC2=O)CC1	216904246	XUGXOEGXQLZGQJ-UHFFFAOYSA-N	343.471	2.157	70	40	EEIB	
COc1ccccc1CC(=O)Nc1cnn(CC2CCOCC2)c1	218228404	QXKHLZXQORMNRO-UHFFFAOYSA-N	329.400	2.500	70	40	EEIB	
O=C1CC2(CCCC2)C(=O)N1c1ccc(S(=O)(=O)Cl)cc1	100012491	MZHDMPSNJZWYSL-UHFFFAOYSA-N	327.789	2.438	70	40	EEIB	
COc1ccc(S(=O)(=O)NCC[C@H](O)c2ccsc2)cc1C	217536734	IYIUSWNRCMSMRY-AWEZNQCLSA-N	341.454	2.467	70	40	EEIB	
Cc1c(Cl)cccc1NC(=O)C(=O)NCC[C@@H](O)c1cccn1C	217948518	JJESSMZOWTUDHP-OAHLLOKOSA-N	349.818	2.165	70	40	EEIB	
O=C(NCCC[C@H]1CCCCO1)N1CCN(Cc2ccccn2)CC1	161255114	LUSJKIXASMWEHC-GOSISDBHSA-N	346.475	2.258	70	40	EEIB	
COC(=O)CS[C@H]1CCN(C(=O)COc2ccc(Cl)cc2)C1	217555974	JZOICJBYNYQZCD-ZDUSSCGKSA-N	343.832	2.226	70	40	EEIB	
COc1nn(C)cc1C(=O)NC[C@](C)(O)c1cc2ccccc2s1	217500064	RXSKLXJBBXHEIL-KRWDZBQOSA-N	345.424	2.281	70	40	EEIB	
O=C(NCC[C@H](O)C1CCOCC1)c1cccc(Br)c1	217919855	HBLDAXOSDGQXRB-AWEZNQCLSA-N	342.233	2.357	70	40	EEIB	
COc1ccc([C@H](O)CNC(=O)c2ccc(F)c(F)c2)cc1OC	217495610	MMSHWDPXPRZEQE-CQSZACIVSA-N	337.322	2.445	70	40	EEIB	
CC(C)(C)c1nsc(N2CCCC[C@H]2CCNS(C)(=O)=O)n1	159843220	FLOFKNSDNUPNJT-NSHDSACASA-N	346.522	2.134	70	40	EEIB	
CCN(C(=O)NC1CCOCC1)[C@@H]1CCN(Cc2ccccc2)C1	159445430	LWPCSMOZZUWSBW-GOSISDBHSA-N	331.460	2.471	70	40	EEIB	
C[C@](O)(CNC(=O)C(=O)Nc1ccccc1)c1cc2ccccc2o1	218002253	LREKKHGMJQNROF-IBGZPJMESA-N	338.363	2.395	70	40	EEIB	
CCS(=O)(=O)N1CCC[C@@H](c2nnc(-c3ccc(F)cc3)o2)C1	216641486	GUYLQHCMSXOGLV-GFCCVEGCSA-N	339.392	2.405	70	40	EEIB	
O=S(=O)(/C=C/c1ccccc1)NCCSC1CCOCC1	217709473	KBZHWOWIOBBETK-MDWZMJQESA-N	327.471	2.489	70	40	EEIB	
O=S(=O)(Cc1ccccc1)NCCn1ccnc1-c1ccccn1	217863869	IREILWXWUOFFTL-UHFFFAOYSA-N	342.424	2.065	70	40	EEIB	
COC(=O)CS[C@@H]1CCN(C(=O)c2nc3ccccc3s2)C1	217554320	CENHIYASXIIKGY-SNVBAGLBSA-N	336.438	2.417	70	40	EEIB	
Cc1nn(C)c(C)c1C(=O)NC[C@@](C)(O)c1cc2ccccc2o1	217995581	ULOCFZKLKQYEQL-GOSISDBHSA-N	327.384	2.421	70	40	EEIB	
Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H](C)c2ccccc2)cc1	217495365	WITPNCPOSYVJAA-AWEZNQCLSA-N	332.425	2.151	70	40	EEIB	
CCOc1ncccc1C(=O)Nc1cnn(CC2CCOCC2)c1	218229858	GLRVDMZZRAVLLT-UHFFFAOYSA-N	330.388	2.356	70	40	EEIB	
Cc1c(Cl)cccc1S(=O)(=O)NCC[C@H](O)c1cccn1C	217943067	QEHJYYIKEBTUAM-AWEZNQCLSA-N	342.848	2.389	70	40	EEIB	
Cn1cc(CC(=O)N2CC(Oc3nccs3)C2)c2ccccc21	218780098	VUONLDNALLGADE-UHFFFAOYSA-N	327.409	2.467	70	40	EEIB	
CC(C)c1nnc(NC(=O)[C@H]2CC[C@H](Cn3cnnn3)CC2)s1	218343077	XTRRVCASQQNNAR-PHIMTYICSA-N	335.437	2.093	70	40	EEIB	
Cc1cc(C)c(S(=O)(=O)NCC[C@H](O)c2cccn2C)cc1C	217942280	FKJFFASSEKNCBU-INIZCTEOSA-N	336.457	2.352	70	40	EEIB	
O=S(=O)(OC[C@H](Br)C(F)(F)F)C(F)(F)F	1083812526	NYSNODPXQQVJHJ-REOHCLBHSA-N	325.024	2.178	70	40	EEIB	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1S(=O)(=O)Cl	100556458	SCFZJFOAZSSAPL-UHFFFAOYSA-N	337.850	2.097	70	40	EEIB	in-vitro
Cc1nn(C)c(C)c1C(=O)NCCn1ccc(-c2ccsc2)n1	217889693	FFSRZLVANSBJCS-UHFFFAOYSA-N	329.429	2.392	70	40	EEIB	
COc1nn(C)cc1C(=O)NC[C@@](C)(O)c1cc2ccccc2s1	217499982	RXSKLXJBBXHEIL-QGZVFWFLSA-N	345.424	2.281	70	40	EEIB	
O=C(CCN1C(=O)CC2(CCCC2)C1=O)NC[C@@H]1C[C@H]2C=C[C@@H]1C2	218072079	YFEONNGHNCKWDH-ZNMIVQPWSA-N	330.428	2.024	70	40	EEIB	
CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)OC1(C)C)c1nnc2ccccn12	218296940	IBOWSSSYXJUXCC-STQMWFEESA-N	344.415	2.274	70	40	EEIB	
CN1CCC(CC(=O)NCc2cccc(N3CCCC3=O)c2)CC1	216904148	KZNGQJVGRFKEHY-UHFFFAOYSA-N	329.444	2.162	70	40	EEIB	
CCc1ccc(C(=O)N2CCN(c3cnnc(N(C)C)c3)CC2)cc1	217586157	ANQONUXVMFRVMD-UHFFFAOYSA-N	339.443	2.067	70	40	EEIB	
Cc1nn(C)c(C)c1C(=O)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1	217817360	MLXTVTOHXRMIHZ-ZDUSSCGKSA-N	343.431	2.392	70	40	EEIB	
COc1cc(CNC(=O)CC2CCN(C)CC2)cc(OC)c1OC	216900686	CJXQFEHMIAWLRJ-UHFFFAOYSA-N	336.432	2.061	70	40	EEIB	
Nc1cc(OC(F)(F)F)ccc1OS(=O)(=O)C(F)(F)F	103630870	NFVYMROIMQELGF-UHFFFAOYSA-N	325.186	2.396	70	40	EEIB	
Cc1cc(OC2CN(C(=O)c3ccc(Cl)s3)C2)cc(=O)n1C	217755060	JQNLYKMYMZUFIP-UHFFFAOYSA-N	338.816	2.312	70	40	EEIB	
COc1ncccc1C(=O)NC[C@H]1CCCN(c2nccs2)C1	218148596	PTEDNDSUOBATJC-GFCCVEGCSA-N	332.429	2.193	70	40	EEIB	
O=C(Cc1cccnc1)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1	217665169	YRSCLBPNYQJHPO-KRWDZBQOSA-N	333.395	2.356	70	40	EEIB	
Cc1nc(CNC(=O)N2CCN(Cc3ccccn3)CC2)sc1C	160507828	KXZVNOBXLCJWOI-UHFFFAOYSA-N	345.472	2.182	70	40	EEIB	
C[C@@H](NC(=O)C(=O)NCC[C@@H](O)c1ccsc1)c1ccccc1	217541420	GXGTYQSJWGGOEF-IUODEOHRSA-N	332.425	2.165	70	40	EEIB	
COc1cccc(NC(=O)NCC[C@H](O)C2CCOCC2)c1OC	217930146	QRHRFCOYTMYDFP-AWEZNQCLSA-N	338.404	2.003	70	40	EEIB	
CCN(CC)S(=O)(=O)c1ccc(Cl)c(S(=O)(=O)Cl)c1	100562788	SKKHYTKNCZQJJY-UHFFFAOYSA-N	346.257	2.298	70	40	EEIB	
COc1cccc(OCc2nc(C)cc(N3CCN(C)CC3)n2)c1	216845803	KXTXWDYVVFCKNV-UHFFFAOYSA-N	328.416	2.124	70	40	EEIB	
CCn1cnnc1[C@@H]1CCCN(C(=O)[C@@H]2OCCc3ccccc32)C1	159386962	DWXDJMIUDPRPAS-NVXWUHKLSA-N	340.427	2.318	70	40	EEIB	
O=C(NCC[C@@H](O)C1CCOCC1)c1ccc(OC(F)(F)F)cc1	217920864	XAIKMFPQCHCRHO-CQSZACIVSA-N	347.333	2.493	70	40	EEIB	
O=C(c1ccco1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1	217841874	PEYBDBFALPEFKA-GFCCVEGCSA-N	339.355	2.215	70	40	EEIB	
CC[C@H](NCc1ccc(N2CCN(CC)CC2)nc1)c1cnn(C)c1	159465133	LQJQPDISYGNTJX-SFHVURJKSA-N	342.491	2.198	70	40	EEIB	
O=C(COC(=O)c1ccccc1O)OCCCCBr	114079871	HMEWOGHVRCOUOG-UHFFFAOYSA-N	331.162	2.267	70	40	EEIB	
Cc1cccc(NC(=O)N2CC(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)C2)c1	217736767	LZPQHBKWOWHYHO-HOTGVXAUSA-N	339.395	2.162	70	40	EEIB	
O=C(N[C@H](CN1C(=O)COC1=O)c1ccccc1)c1ccccc1F	217979625	JIUOGLPBJDZQIK-OAHLLOKOSA-N	342.326	2.276	70	40	EEIB	
CCS(=O)(=O)NCCn1nc(-c2ccsc2)cc1C1CC1	217881765	OZZOZHYQUSSTCM-UHFFFAOYSA-N	325.459	2.428	70	40	EEIB	
CCOC(=O)CCC(=O)N1CCC[C@H](Cc2nc(C3CC3)no2)C1	217807475	XEXOWSONPGXYGT-GFCCVEGCSA-N	335.404	2.071	70	40	EEIB	
Cn1nnnc1COc1ccc(C(C)(C)C)cc1S(=O)(=O)Cl	110749412	FUKDXBWYZDZBSG-UHFFFAOYSA-N	344.824	2.014	70	40	EEIB	
Cc1cc(C)c(S(=O)(=O)N(CCS(C)(=O)=O)C(C)C)c(C)c1	159687957	DAJBWJVBPMYAGG-UHFFFAOYSA-N	347.502	2.056	70	40	EEIB	
CC(=O)c1cccc(NC(=O)[C@H]2CC[C@H](Cn3cnnn3)CC2)c1	218275263	HJSILMMQLMQMNP-OKILXGFUSA-N	327.388	2.321	70	40	EEIB	
CN(C(=O)CCc1cncc(F)c1)c1cccc(S(C)(=O)=O)c1	159641848	MFKYMPZVOMRTJW-UHFFFAOYSA-N	336.388	2.220	70	40	EEIB	
Cc1nn(C)c(C)c1C(=O)N1CCC[C@H](Cc2nc(C3CC3)no2)C1	217817296	MLXTVTOHXRMIHZ-CYBMUJFWSA-N	343.431	2.392	70	40	EEIB	
Cc1ncncc1-c1nnc([C@H]2CCCN(C(=O)c3ccco3)C2)o1	216661357	UJFHHKYVEKHVBD-LBPRGKRZSA-N	339.355	2.448	70	40	EEIB	
Cc1noc(C)c1S(=O)(=O)NCCOc1ccccc1Cl	160081964	UKPNZXYREFJBNI-UHFFFAOYSA-N	330.793	2.302	70	40	EEIB	
Cc1csc([C@H](C)NC(=O)N2CCN(Cc3ccccn3)CC2)n1	160002582	FGSQMUQZDSCGFI-AWEZNQCLSA-N	345.472	2.435	70	40	EEIB	
Cc1ccc(NC(=O)C(=O)NCC[C@H](O)c2ccsc2)cc1F	217541890	WFOUNOYVIJGMDW-AWEZNQCLSA-N	336.388	2.374	70	40	EEIB	
COC(=O)CS[C@@H]1CCN(C(=O)Cc2c[nH]c3ccccc23)C1	217565027	PSHNTEQDNOJXTL-CYBMUJFWSA-N	332.425	2.218	70	40	EEIB	
CS(=O)(=O)N1CCC[C@@H](c2nc(-c3ccccc3F)no2)C1	216671423	HUONPCIELYFBTC-SNVBAGLBSA-N	325.365	2.015	70	40	EEIB	
Cc1ccc(NC(=O)C(=O)NCC[C@@H](O)c2ccsc2)cc1F	217541985	WFOUNOYVIJGMDW-CQSZACIVSA-N	336.388	2.374	70	40	EEIB	
Cc1cc(C[C@@H](C)NC(=O)Nc2cnn(CC(F)(F)F)c2)n[nH]1	160531086	MMRDLSNKMISEJR-MRVPVSSYSA-N	330.314	2.230	70	40	EEIB	
CS(=O)(=O)N1CCC[C@H](c2nc(-c3ccccc3F)no2)C1	216671472	HUONPCIELYFBTC-JTQLQIEISA-N	325.365	2.015	70	40	EEIB	
c1cc(CCN2CCC(NC3CCC4(CC3)OCCO4)CC2)ccn1	161391667	TXDSXLZHGJFVGJ-UHFFFAOYSA-N	345.487	2.364	70	40	EEIB	
COC(=O)CS[C@H]1CCN(C(=O)c2nc3ccccc3s2)C1	217554394	CENHIYASXIIKGY-JTQLQIEISA-N	336.438	2.417	70	40	EEIB	
O=C(CCc1cc(Cl)no1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	217899234	CDICFMITILLBEM-NWDGAFQWSA-N	347.802	2.068	70	40	EEIB	
COCCCNC(=O)c1ccccc1NC(=O)CC1CCN(C)CC1	216896518	QOESWKOZAHDTPD-UHFFFAOYSA-N	347.459	2.123	70	40	EEIB	
Cc1ncncc1-c1nnc([C@@H]2CCCN(C(=O)c3ccco3)C2)o1	216661316	UJFHHKYVEKHVBD-GFCCVEGCSA-N	339.355	2.448	70	40	EEIB	
CCc1ccc(Cn2cc([C@@H]3SCC(=O)N3CCOC)nn2)cc1	216688347	AYRORGPIUVWMCM-KRWDZBQOSA-N	346.456	2.109	70	40	EEIB	
O=S(=O)(NC[C@@H]1CCCN(c2nccs2)C1)c1ccccc1	218174279	AYYBXJSHOKHDIR-ZDUSSCGKSA-N	337.470	2.338	70	40	EEIB	
CN(C)C(=O)OCCN1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1	159550152	HMLZMEYNXVYWCJ-CQSZACIVSA-N	329.404	2.307	70	40	EEIB	
O=C(COc1ccc(S(=O)(=O)Cl)cc1F)N1CCCCC1	110749232	BKHJQCUFDPGQMI-UHFFFAOYSA-N	335.784	2.145	70	40	EEIB	
C[C@H](NC(=O)C(=O)NCC[C@H](O)c1ccsc1)c1ccccc1	217541161	GXGTYQSJWGGOEF-WFASDCNBSA-N	332.425	2.165	70	40	EEIB	
Cc1cc(C)c(S(=O)(=O)NCC[C@@H](O)c2cccn2C)cc1C	217942373	FKJFFASSEKNCBU-MRXNPFEDSA-N	336.457	2.352	70	40	EEIB	
O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)F)cc1	100478512	UGYNYWAGJKDOTO-UHFFFAOYSA-N	338.316	2.434	70	40	EEIB	
COc1ncccc1C(=O)N1CCC[C@@]2(C1)OC(=O)c1ccccc12	217587213	SJUAAWZVMUFRGG-IBGZPJMESA-N	338.363	2.392	70	40	EEIB	
O=C(N[C@@H](CN1C(=O)COC1=O)c1ccccc1)c1ccccc1F	217979717	JIUOGLPBJDZQIK-HNNXBMFYSA-N	342.326	2.276	70	40	EEIB	
COC(=O)c1cc(S(=O)(=O)Cl)c(F)cc1Br	59261977	XCQAFMNYQYVXGS-UHFFFAOYSA-N	331.546	2.302	70	40	EEIB	in-vitro
COCCOc1ccc(S(=O)(=O)Cl)cc1Br	59100010	JGNFIQCRKAISHH-UHFFFAOYSA-N	329.599	2.402	70	40	EEIB	
Cc1ncc(-c2nnc(C3CCN(C(=O)c4ccco4)CC3)o2)cn1	216637979	RSMJNDJWHRSPQS-UHFFFAOYSA-N	339.355	2.448	70	40	EEIB	
COc1ncccc1C(=O)NC[C@@H]1CCCN(c2nccs2)C1	218148545	PTEDNDSUOBATJC-LBPRGKRZSA-N	332.429	2.193	70	40	EEIB	
COC(=O)CS[C@H]1CCN(S(=O)(=O)c2ccccc2Cl)C1	217567827	URMDIUZNJJDGBB-JTQLQIEISA-N	349.861	2.009	70	40	EEIB	
COc1ccc(C(=O)N2CC[C@H](n3cc(-c4ccccc4)nn3)C2)cn1	217665635	YAEFUKKJPRMNDL-INIZCTEOSA-N	349.394	2.436	70	40	EEIB	
O=S(=O)(NCC[C@H](O)C1CCOCC1)c1cccc2ccccc12	217924292	PZEXWZWZPQKWKK-KRWDZBQOSA-N	349.452	2.296	70	40	EEIB	
O=C(COc1ccc(Cl)cc1)NCC[C@H](O)C1CCOCC1	217918680	WNMAZKGQEKJGQZ-HNNXBMFYSA-N	327.808	2.013	70	40	EEIB	
O=S(=O)(Cl)c1cnn(CC(F)(F)F)c1Br	408715795	DUMZZMUAQLOONZ-UHFFFAOYSA-N	327.509	2.135	70	40	EEIB	
Cn1cccc(C(=O)NC[C@](C)(O)c2cc3ccccc3s2)c1=O	217499674	HXLFGYYUHYNALB-SFHVURJKSA-N	342.420	2.238	70	40	EEIB	
COC(=O)CS[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2)C1	217567636	UNPLYHTZAFGQTM-NSHDSACASA-N	349.861	2.009	70	40	EEIB	
CCOC(=O)CCc1cc(OC)c(OC)cc1S(=O)(=O)Cl	100026951	XHBPELUXOLULSW-UHFFFAOYSA-N	336.793	2.127	70	40	EEIB	
O=C(OCc1ccccc1)N1[C@H]2CC[C@H]1[C@H](S(=O)(=O)Cl)C2	584905819	DLPSVEAQZKXGCJ-RWMBFGLXSA-N	329.805	2.497	70	40	EEIB	
C[C@](O)(CNC(=O)C(=O)NC1CCCC1)c1cc2ccccc2s1	217517417	PHXICSALBHZVPV-SFHVURJKSA-N	346.452	2.284	70	40	EEIB	
COc1ccc(OC[C@@H](C)NC(=O)[C@@H]2COc3ccccc3O2)cc1	218298073	PRXJITISNSDSQV-ACJLOTCBSA-N	343.379	2.419	70	40	EEIB	
O=C(c1cccc(Cl)c1)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1	217731633	RIYQKUBTKJMJMH-GJZGRUSLSA-N	344.798	2.116	70	40	EEIB	
Cc1ccc(C(=O)CCN2CCN(C(=O)c3ccncc3)CC2)cc1	161287017	LAGMCVORGLZESG-UHFFFAOYSA-N	337.423	2.421	70	40	EEIB	
Cc1ccc(S(=O)(=O)Nc2cnn(CC3CCOCC3)c2)s1	218242553	DBTPCBSYJKPPDK-UHFFFAOYSA-N	341.458	2.480	70	40	EEIB	
CC(C)Cn1ncc(S(=O)(=O)Cl)c1I	408717869	YNDKBWHIDZAIHP-UHFFFAOYSA-N	348.593	2.071	70	40	EEIB	
COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1ccoc1	217965781	ZGVSLRLYAKWIAJ-TZMCWYRMSA-N	333.315	2.254	70	40	EEIB	
Cc1cccc(NC(=O)N2CC(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)C2)c1	217736852	LZPQHBKWOWHYHO-HZPDHXFCSA-N	339.395	2.162	70	40	EEIB	
CNC(=O)[C@@H](C)CN(C)Cc1nc2cc(Br)ccc2[nH]1	159988358	YTXJMEKXHHZKGQ-VIFPVBQESA-N	339.237	2.139	70	40	EEIB	
Cn1cccc1[C@H](O)CCNS(=O)(=O)c1ccc(F)c(Cl)c1	217943244	ZAUOYDZGSDOHSW-CQSZACIVSA-N	346.811	2.220	70	40	EEIB	
Cn1cccc1[C@@H](O)CCNS(=O)(=O)c1ccc(F)c(Cl)c1	217943320	ZAUOYDZGSDOHSW-AWEZNQCLSA-N	346.811	2.220	70	40	EEIB	
COc1ccc([C@H]2CCCN2C(=O)N[C@@H]2CCc3ncnn3C2)cc1	160987884	PEWOJKUEYCSPMI-GDBMZVCRSA-N	341.415	2.148	70	40	EEIB	
Cc1cc(OC2CN(C(=O)CCc3ccccc3F)C2)cc(=O)n1C	217756061	QKSMABMGMPWCJL-UHFFFAOYSA-N	344.386	2.055	70	40	EEIB	
O=S(=O)(NC[C@H](O)Cc1ccccc1)c1cccc2cccnc12	217574308	CUFQGSGYOIOQBC-MRXNPFEDSA-N	342.420	2.117	70	40	EEIB	
O=C(NOCc1ccccc1)N1CCN(Cc2ccccn2)CC1	160058855	HVNNHVYMNGVXBR-UHFFFAOYSA-N	326.400	2.041	70	40	EEIB	
O=C(c1cccc(Cl)c1)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1	217731551	RIYQKUBTKJMJMH-GASCZTMLSA-N	344.798	2.116	70	40	EEIB	
COc1ccc(OC)c(NC(=O)[C@H]2CC[C@H](Cn3cnnn3)CC2)c1	218269584	OTJISGCRKLCTEX-BETUJISGSA-N	345.403	2.135	70	40	EEIB	
O=C([C@H]1CC[C@H](Cn2cnnn2)CC1)N1CCc2ccccc2C1	217958654	YMSYQUCHZLBFNO-FZNQNYSPSA-N	325.416	2.064	70	40	EEIB	
Cn1nc(CN(C(=O)N2CCOCC2)C2CCCC2)c2c1CCC2	217912161	RGLAFCCOVQVLNA-UHFFFAOYSA-N	332.448	2.106	70	40	EEIB	
Cc1c(Cl)cccc1S(=O)(=O)NCC[C@@H](O)c1cccn1C	217943148	QEHJYYIKEBTUAM-CQSZACIVSA-N	342.848	2.389	70	40	EEIB	
COC(=O)CS[C@@H]1CCN(C(=O)c2cc(Cl)ccc2OC)C1	217556154	XDAGPDGPNYBVEC-LLVKDONJSA-N	343.832	2.469	70	40	EEIB	
CS(=O)(=O)N1CCC[C@H](c2nnc(-c3ccc(F)cc3)o2)C1	216641424	GEELPZKYKDRERI-NSHDSACASA-N	325.365	2.015	70	40	EEIB	
O=c1cccc2n1C[C@H]1C[C@@H]2CN(Cc2nc(-c3ccco3)no2)C1	217566065	JGMZQIFGNWRPLG-QWHCGFSZSA-N	338.367	2.111	70	40	EEIB	
COC1CCN(C2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)CC1	217754662	IRDBDQOOJYCVSQ-UHFFFAOYSA-N	345.487	2.468	70	40	EEIB	
O=C(NCC[C@@H](O)c1ccsc1)C(=O)Nc1ccc(F)cc1F	217542182	WDTZTMNQLHWNIW-CYBMUJFWSA-N	340.351	2.205	70	40	EEIB	
CCOC(=O)[C@H]1CCCN(C(=O)c2cccc([B-](F)(F)F)c2)C1	216631496	AFXGCPFYLBKYJS-LBPRGKRZSA-N	328.119	2.156	70	40	EEIB	
O=S(=O)(NC[C@@H](O)Cc1ccccc1)c1cccc2cccnc12	217574235	CUFQGSGYOIOQBC-INIZCTEOSA-N	342.420	2.117	70	40	EEIB	
CCN(CC)C(=O)CCc1cc(S(=O)(=O)Cl)ccc1OC	100026978	HPRIUTKYYFKEKA-UHFFFAOYSA-N	333.837	2.424	70	40	EEIB	
COc1ccccc1/C=C/CN1CCN(C(=O)[C@H]2CCCO2)CC1	161004185	LJOZTYSLJIVVOE-WEBJUUICSA-N	330.428	2.032	70	40	EEIB	
Cc1ncc(-c2nnc([C@@H]3CCCN(C(=O)c4ccco4)C3)o2)cn1	216658652	UJWPUMZGRDPVBA-GFCCVEGCSA-N	339.355	2.448	70	40	EEIB	
CC(C)(C)NC(=O)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1	217848305	SJWXBNPNXSXBAI-LBPRGKRZSA-N	344.419	2.289	70	40	EEIB	
CC(=O)Nc1cccc(NC(=O)[C@H]2CC[C@H](Cn3cnnn3)CC2)c1	218313952	FVYHDBBKYREQEQ-OKILXGFUSA-N	342.403	2.077	70	40	EEIB	
O=C(NCC[C@H](O)C1CCOCC1)c1ccc(C(F)(F)F)nc1	217922941	LWULIUQWXWUYME-LBPRGKRZSA-N	332.322	2.008	70	40	EEIB	
CC[C@@H](C)[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1	218393633	PZYWAULCDWRFPC-LALPHHSUSA-N	338.835	2.216	70	40	EEIB	
O=S(=O)(Cl)c1ccc(S(=O)(=O)N2CCCCCC2)cc1	100642260	QXWSQILZGKVQDT-UHFFFAOYSA-N	337.850	2.179	70	40	EEIB	
Cc1csc([C@@H](C)NC(=O)N2CCN(Cc3ccccn3)CC2)n1	160002480	FGSQMUQZDSCGFI-CQSZACIVSA-N	345.472	2.435	70	40	EEIB	
Cc1cc(OC2CN(C(=O)c3c[nH]c4ccccc34)C2)cc(=O)n1C	217756685	ZWVNTTQYXYRRTN-UHFFFAOYSA-N	337.379	2.078	70	40	EEIB	
COc1ccccc1/C=C/CN1CCN(C(=O)[C@@H]2CCCO2)CC1	161004058	LJOZTYSLJIVVOE-UKTKYZJWSA-N	330.428	2.032	70	40	EEIB	
CCOc1ccccc1NC(=O)C(=O)NCC[C@H](O)c1ccsc1	217542649	ZDTURLREBSYFDZ-AWEZNQCLSA-N	348.424	2.325	70	40	EEIB	
COC1CCN(C2CCN(C(=O)c3cc(C4CC4)on3)CC2)CC1	217761189	OLUGKKTVJXDPMU-UHFFFAOYSA-N	333.432	2.267	70	40	EEIB	
CCOC(=O)c1ccc(Nc2cc(N3CCN(C)CC3)ncn2)cc1	216847873	AREDRZSKLUHVQY-UHFFFAOYSA-N	341.415	2.149	70	40	EEIB	
CC(=O)Nc1ccc(NC(=O)[C@H]2CC[C@H](Cn3cnnn3)CC2)cc1	217997170	RJMCAUJLLVAZHA-OKILXGFUSA-N	342.403	2.077	70	40	EEIB	
Cc1cc(C[C@H](C)NC(=O)Nc2cnn(CC(F)(F)F)c2)n[nH]1	160531226	MMRDLSNKMISEJR-QMMMGPOBSA-N	330.314	2.230	70	40	EEIB	
N=C(N)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1	217352047	WOHIBWDMKWEFFN-UHFFFAOYSA-N	325.340	2.096	70	40	EEIB	
COc1ccc(S(=O)(=O)NCC[C@H](O)c2ccsc2)c(C)c1	217537135	QNYYUGICMONUTF-AWEZNQCLSA-N	341.454	2.467	70	40	EEIB	
CCS(=O)(=O)N1CCC[C@H](c2nnc(-c3ccccc3F)o2)C1	216643668	BOXKYHMASUPLAL-NSHDSACASA-N	339.392	2.405	70	40	EEIB	
O=C(c1ccc2ccccc2c1)N1CC(N2C(=O)CSC2=O)C1	217746875	MRSAKVKFUXTBKD-UHFFFAOYSA-N	326.377	2.360	70	40	EEIB	
CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)Cl)c21	100357373	OCQLARLEGOFXFN-UHFFFAOYSA-N	338.610	2.286	70	40	EEIB	
O=C(NCC[C@@H](O)C1CCOCC1)c1ccc(C(F)(F)F)nc1	217923027	LWULIUQWXWUYME-GFCCVEGCSA-N	332.322	2.008	70	40	EEIB	
O=S(=O)(c1ccccc1Br)N1CCc2oncc2C1	217695100	WBRVSNJPVZLPAX-UHFFFAOYSA-N	343.202	2.184	70	40	EEIB	
O=C(/C=C/c1ccco1)N[C@@H](CN1C(=O)COC1=O)c1ccccc1	217979539	VKNKSZRCFRTJOP-HVHJFMEUSA-N	340.335	2.129	70	40	EEIB	
COC(=O)CS[C@@H]1CCN(C(=O)CSCc2ccccc2)C1	217555478	RYUFCHKGQBJHEM-CQSZACIVSA-N	339.482	2.427	70	40	EEIB	
CC(C)(C)NC(=O)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1	217848216	SJWXBNPNXSXBAI-GFCCVEGCSA-N	344.419	2.289	70	40	EEIB	
Cc1ccc(S(=O)(=O)Cl)cc1S(=O)(=O)N1CCCCC1	100551537	SVHSWYSSFGPWDD-UHFFFAOYSA-N	337.850	2.097	70	40	EEIB	
C[C@H](CNC(=O)Nc1ccnn1C[C@H]1CCOC1)c1nccs1	159937346	ZYWTYCMGYFMDQE-VXGBXAGGSA-N	335.433	2.301	70	40	EEIB	
CC(=O)N1CCc2cc(Br)c(S(=O)(=O)Cl)cc21	100586758	IHNBWFJSLLIAPD-UHFFFAOYSA-N	338.610	2.286	70	40	EEIB	
COCCNC(=O)Nc1ccc(S(=O)(=O)Cl)c(Cl)c1	95698287	AHNZMHHTZJYHJF-UHFFFAOYSA-N	327.189	2.035	70	40	EEIB	
Cc1ccc(CCNC(=O)N2CCN(Cc3ccccn3)CC2)cc1	160251300	AHQWFHRQEXPIGU-UHFFFAOYSA-N	338.455	2.460	70	40	EEIB	
COc1ccc(S(=O)(=O)NCC[C@@H](O)c2ccsc2)c(C)c1	217537216	QNYYUGICMONUTF-CQSZACIVSA-N	341.454	2.467	70	40	EEIB	
COc1ccc(C(C)C)cc1S(=O)(=O)NC1CCN(C)CC1	216795773	HHJWDDQFLUQQSF-UHFFFAOYSA-N	326.462	2.191	70	40	EEIB	
CC(C)(C)OC(=O)N1CCC=C(OS(=O)(=O)C(F)(F)F)C1	97950112	JWIOZKDQPDVJNT-UHFFFAOYSA-N	331.312	2.377	70	40	EEIB	
O=C1c2ccccc2C(=O)N1Cc1ccc(S(=O)(=O)Cl)cc1	104427111	YRTKQKYYOCBYAB-UHFFFAOYSA-N	335.768	2.410	70	40	EEIB	
O=C(N1CC(Oc2nccs2)C1)C1(c2ccccc2)CCOCC1	217685296	VBUKFKDXPPIBCF-UHFFFAOYSA-N	344.436	2.481	70	40	EEIB	
O=C(NCCn1ccnc1-c1cccnc1)c1ccc2c(c1)OCO2	217866518	LHTDJXZKAYXSQK-UHFFFAOYSA-N	336.351	2.104	70	40	EEIB	
COc1cccc(Cn2cc([C@@H]3OCCN3Cc3ccco3)nn2)c1	216780917	DUUUGSBAPHKRTA-SFHVURJKSA-N	340.383	2.459	70	40	EEIB	
Cn1cc(NC(=O)C(=O)N2CCC[C@H]2c2ccccc2Cl)cn1	160687369	MBPFWCWHWGZFAZ-AWEZNQCLSA-N	332.791	2.376	70	40	EEIB	
Brc1ccc([SiH2]c2ccc(Br)cc2)cc1	195753528	QJYOKELFWSYHQT-UHFFFAOYSA-N	342.106	2.331	70	40	EEIB	
O=C(NCC[C@H](O)C1CCOCC1)c1ccc(OC(F)(F)F)cc1	217920777	XAIKMFPQCHCRHO-AWEZNQCLSA-N	347.333	2.493	70	40	EEIB	
Cc1cc(N2CCC[C@@H]2CN2CCOCC2)nc(-c2ccncc2)n1	160405842	VCOXSMFRGBUIHS-QGZVFWFLSA-N	339.443	2.148	70	40	EEIB	
O=S(=O)(NCCSC1CCOCC1)c1ccc(F)c(F)c1	217709915	CDQQTLBFZQWYHB-UHFFFAOYSA-N	337.413	2.155	70	40	EEIB	
C[C@H](CNC(=O)Nc1ccnn1C[C@@H]1CCOC1)c1nccs1	159937099	ZYWTYCMGYFMDQE-NEPJUHHUSA-N	335.433	2.301	70	40	EEIB	
O=S(=O)(NCC[C@@H](O)c1ccsc1)c1c(F)cccc1F	217536251	XCUMXKRBKMCXGJ-GFCCVEGCSA-N	333.381	2.428	70	40	EEIB	
Cc1noc(C)c1CC(=O)NC[C@H]1CCCN(c2nccs2)C1	218151553	PJMQARBDKXJMIL-CYBMUJFWSA-N	334.445	2.323	70	40	EEIB	
CS(=O)(=O)N1CCC[C@@H](c2nnc(-c3ccccc3F)o2)C1	216643514	YWBCWNQBYPVRJS-SNVBAGLBSA-N	325.365	2.015	70	40	EEIB	
C[C@H]1CN(C(=O)Nc2ccc(S(=O)(=O)Cl)cc2)C[C@H](C)O1	218787265	KUTHAUXBCZLMQO-UWVGGRQHSA-N	332.809	2.255	70	40	EEIB	
C[C@@](O)(CNS(=O)(=O)c1cccnc1)c1cc2ccccc2s1	217511096	SIKOQCPWCAJGSW-MRXNPFEDSA-N	348.449	2.482	70	40	EEIB	
O=S(=O)(NCC[C@H](O)c1ccsc1)c1c(F)cccc1F	217536168	XCUMXKRBKMCXGJ-LBPRGKRZSA-N	333.381	2.428	70	40	EEIB	
COC(=O)c1cc(S(=O)(=O)Cl)c(Br)cc1F	59262012	AZHWNKSWWMAMNS-UHFFFAOYSA-N	331.546	2.302	70	40	EEIB	in-vitro
C[C@](O)(CNS(=O)(=O)c1cccnc1)c1cc2ccccc2s1	217511164	SIKOQCPWCAJGSW-INIZCTEOSA-N	348.449	2.482	70	40	EEIB	
COc1ccc(F)cc1S(=O)(=O)NCC[C@H](O)c1ccsc1	217537324	YJTBNVITSPRIGK-LBPRGKRZSA-N	345.417	2.298	70	40	EEIB	
CCn1cnnc1[C@H]1CCCN(C(=O)[C@@H]2OCCc3ccccc32)C1	159387087	DWXDJMIUDPRPAS-DOTOQJQBSA-N	340.427	2.318	70	40	EEIB	
C[C@]1(CNC(=O)N2CCN(Cc3ccccn3)CC2)CCCS1	160708293	CYXUZNJPKFWXTI-QGZVFWFLSA-N	334.489	2.195	70	40	EEIB	
N=C(N)CN(c1ccccc1F)S(=O)(=O)c1ccc(F)cc1	217352278	KZMRJCGGRCDOMJ-UHFFFAOYSA-N	325.340	2.096	70	40	EEIB	
Cn1cnnc1CN1CCN(c2cccc(C(F)(F)F)c2)CC1	160680313	IHPXDUIVQCVFRC-UHFFFAOYSA-N	325.338	2.156	70	40	EEIB	
O=C(Nc1ccc(S(=O)(=O)Cl)c(Cl)c1)N1CCOCC1	95698274	COFSBAXMEIDCQM-UHFFFAOYSA-N	339.200	2.132	70	40	EEIB	
Cc1ncc(-c2nnc([C@H]3CCCN(C(=O)c4ccco4)C3)o2)cn1	216658696	UJWPUMZGRDPVBA-LBPRGKRZSA-N	339.355	2.448	70	40	EEIB	
O=C1NCCN1C(=O)NCCn1nc(-c2ccsc2)cc1C1CC1	217881662	SUBKAZIYZWYKNJ-UHFFFAOYSA-N	345.428	2.224	70	40	EEIB	
CS(=O)(=O)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1	217802878	LTMWCSMMYUZJGK-LLVKDONJSA-N	339.392	2.090	70	40	EEIB	
CC[C@H](NC(=O)N1CCN(Cc2ccccn2)CC1)c1ccncc1	160357684	CRMHYATWCFXPIG-SFHVURJKSA-N	339.443	2.455	70	40	EEIB	
C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NCCc1ccc2c(c1)OCO2	161140111	MMEZOPIAQKQLAW-NJAFHUGGSA-N	346.471	2.437	70	40	EEIB	
O=S(=O)(Cl)c1cn(CC(F)(F)F)nc1Br	408717064	VLUVDXUYUTVUBU-UHFFFAOYSA-N	327.509	2.135	70	40	EEIB	
Cc1cc(OC2CN(C(=O)c3cc4ccccc4o3)C2)cc(=O)n1C	217754957	CFXZOOFDMILCNC-UHFFFAOYSA-N	338.363	2.343	70	40	EEIB	
Cc1cnc(C(=O)N2CC[C@@H](n3cc(-c4ccccc4)nn3)C2)cn1	217662418	FPVHJQNPDXYPSH-OAHLLOKOSA-N	334.383	2.131	70	40	EEIB	
CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc([B-](F)(F)F)c2)C1	216631449	AFXGCPFYLBKYJS-GFCCVEGCSA-N	328.119	2.156	70	40	EEIB	
Cn1cccc(C(=O)NC[C@@](C)(O)c2cc3ccccc3s2)c1=O	217499580	HXLFGYYUHYNALB-GOSISDBHSA-N	342.420	2.238	70	40	EEIB	
CCc1ccc(OCC(=O)N2CCN(C)CC2)c(Br)c1	217009677	PVKCYRVBVVFLLR-UHFFFAOYSA-N	341.249	2.164	70	40	EEIB	
O=C(Nc1cnn(CC2CCOCC2)c1)[C@@H]1COc2ccccc2O1	218218906	ZSVFWXMGOJPKAA-KRWDZBQOSA-N	343.383	2.088	70	40	EEIB	
O=S(=O)(Cl)c1ccc2[nH]nc(I)c2c1	675081487	DZRXPUBTWXSTIX-UHFFFAOYSA-N	342.545	2.095	70	40	EEIB	
COc1ccc(C(=O)CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1	217562225	IIKBYURVRVKHGI-GOEBONIOSA-N	338.407	2.159	70	40	EEIB	
COc1cccc(Cn2cc([C@H]3OCCN3Cc3ccco3)nn2)c1	216780962	DUUUGSBAPHKRTA-GOSISDBHSA-N	340.383	2.459	70	40	EEIB	
CCOc1ccc(S(=O)(=O)NC2CCN(C)CC2)cc1Cl	216796128	IOVSTIFSKVBPGQ-UHFFFAOYSA-N	332.853	2.111	70	40	EEIB	
Cc1cc(O[C@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)cc(=O)n1C	217771132	OPOOUBBFCLROIF-INIZCTEOSA-N	344.386	2.055	70	40	EEIB	
Cc1nn(C)c(C)c1C(=O)NC[C@](C)(O)c1cc2ccccc2o1	217995508	ULOCFZKLKQYEQL-SFHVURJKSA-N	327.384	2.421	70	40	EEIB	
O=C(c1ccco1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1	217841935	PEYBDBFALPEFKA-LBPRGKRZSA-N	339.355	2.215	70	40	EEIB	
COc1ccc(OC[C@H](C)NC(=O)[C@@H]2COc3ccccc3O2)cc1	218298114	PRXJITISNSDSQV-UGSOOPFHSA-N	343.379	2.419	70	40	EEIB	
CN(CC1CCN(C(=O)C(C)(C)C)CC1)CC(C)(C)S(C)(=O)=O	161298838	JUIWSXXEBPWRES-UHFFFAOYSA-N	346.537	2.026	70	40	EEIB	
CC(=O)OC(C)(C)C(=O)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1	217816647	XJXIOFKDIPYFOZ-LBPRGKRZSA-N	335.404	2.070	70	40	EEIB	
O=S(=O)(Cl)c1cn(C(F)F)nc1COCC(F)(F)F	408716264	KRYMDZRZKLFZLU-UHFFFAOYSA-N	328.646	2.285	70	40	EEIB	
COC(=O)CS[C@H]1CCN(C(=O)Cc2c[nH]c3ccccc23)C1	217565100	PSHNTEQDNOJXTL-ZDUSSCGKSA-N	332.425	2.218	70	40	EEIB	
C[C@@H](CNC(=O)Nc1ccnn1C[C@H]1CCOC1)c1nccs1	159937227	ZYWTYCMGYFMDQE-NWDGAFQWSA-N	335.433	2.301	70	40	EEIB	
O=C(NCc1ccc(Cl)cc1)[C@H]1CC[C@H](Cn2cnnn2)CC1	217968997	NSLJNTLPCZYMRI-OKILXGFUSA-N	333.823	2.449	70	40	EEIB	
O=C(NC[C@H]1CCCN1c1nccs1)c1ccc2nccnc2c1	217770600	PUIZFVPBNLEPED-CYBMUJFWSA-N	339.424	2.485	70	40	EEIB	
CCOC(=O)CCC(=O)NCCn1nc(-c2cccs2)cc1C	217873079	PDEAMQJBBDXRFH-UHFFFAOYSA-N	335.429	2.380	70	40	EEIB	
O=C(NC[C@@H]1CCCN1c1nccs1)c1ccc2nccnc2c1	217770525	PUIZFVPBNLEPED-ZDUSSCGKSA-N	339.424	2.485	70	40	EEIB	
Cc1noc(-c2c(NC(=O)c3ccno3)sc3c2CCOC3)n1	217962670	WIKQEMGOBDNPHB-UHFFFAOYSA-N	332.341	2.420	70	40	EEIB	
O=C(NCCSC1CCOCC1)c1cncc(Br)c1	217705434	ZUFXRCCHGNIYSU-UHFFFAOYSA-N	345.262	2.486	70	40	EEIB	
Cc1cc(S(=O)(=O)Cl)ccc1OCC(=O)N1CCCCC1	100010216	KSEDMYIWLOOBDA-UHFFFAOYSA-N	331.821	2.314	70	40	EEIB	
O=S(=O)(NC[C@H]1CCCN(c2nccs2)C1)c1ccccc1	218174356	AYYBXJSHOKHDIR-CYBMUJFWSA-N	337.470	2.338	70	40	EEIB	
c1ccc([C@@H](CN2CCOCC2)NC2CCC3(CC2)OCCO3)cc1	161237647	SXWLIPOECOCKMF-LJQANCHMSA-N	346.471	2.335	70	40	EEIB	
Cc1noc(C)c1CC(=O)NCCn1nc(-c2ccncc2)cc1C	217869663	LMHFFTDVVFFCOH-UHFFFAOYSA-N	339.399	2.217	70	40	EEIB	
Cc1cc(OC2CN(C(=O)c3cc4ccccc4[nH]3)C2)cc(=O)n1C	217756373	IDQALEANDSGMBH-UHFFFAOYSA-N	337.379	2.078	70	40	EEIB	
Cn1cc(NC(=O)C(=O)N2CCC[C@@H]2c2ccccc2Cl)cn1	160687239	MBPFWCWHWGZFAZ-CQSZACIVSA-N	332.791	2.376	70	40	EEIB	
COc1ccc(F)cc1S(=O)(=O)NCC[C@@H](O)c1ccsc1	217537409	YJTBNVITSPRIGK-GFCCVEGCSA-N	345.417	2.298	70	40	EEIB	
O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)[C@@H]1CSCN1	159996881	YZWGFYUCFXPUDN-LBPRGKRZSA-N	342.346	2.492	70	40	EEIB	
O=C(Cc1cccnc1)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1	217665082	YRSCLBPNYQJHPO-QGZVFWFLSA-N	333.395	2.356	70	40	EEIB	
Cn1cccc1[C@@H](O)CCNC(=O)c1ccc(Br)o1	217936221	KBZWMNAJAKVMQZ-JTQLQIEISA-N	327.178	2.234	70	40	EEIB	
COCCOc1ccc(S(=O)(=O)Cl)c(Br)c1	59108404	ROJYQSJIEWJPEE-UHFFFAOYSA-N	329.599	2.402	70	40	EEIB	
COc1ccc(S(=O)(=O)NCC[C@@H](O)c2ccsc2)cc1C	217536816	IYIUSWNRCMSMRY-CQSZACIVSA-N	341.454	2.467	70	40	EEIB	
COC(=O)c1ccc2[nH]cc(C(=O)CN(C)c3cnn(C)c3)c2c1	161404097	NBNXMOKYUIYQQS-UHFFFAOYSA-N	326.356	2.007	70	40	EEIB	
Cc1noc(C)c1CC(=O)NC[C@@H]1CCCN(c2nccs2)C1	218151466	PJMQARBDKXJMIL-ZDUSSCGKSA-N	334.445	2.323	70	40	EEIB	
COc1ccc(C(=O)N2CC[C@@H](n3cc(-c4ccccc4)nn3)C2)cn1	217665713	YAEFUKKJPRMNDL-MRXNPFEDSA-N	349.394	2.436	70	40	EEIB	
CCc1ncnc(N2CCN(C[C@@H](O)c3ccccc3)CC2)c1F	159402431	OOFALEPBTDNJJR-MRXNPFEDSA-N	330.407	2.034	70	40	EEIB	
COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1ccoc1	217965584	ZGVSLRLYAKWIAJ-GXTWGEPZSA-N	333.315	2.254	70	40	EEIB	
COc1cccc(Cl)c1CC(=O)N[C@](C)(C(N)=O)c1ccccc1	160714162	HTYCKBUCUIORNX-SFHVURJKSA-N	346.814	2.408	70	40	EEIB	
Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCc2oncc2C1	217692941	XEMJYDAVABIPKU-UHFFFAOYSA-N	326.331	2.413	70	40	EEIB	
COc1ccc(NC(=O)Cc2cc(OC)c(OC)cc2N)cc1OC	217672782	QOIACKCGGLTUQR-UHFFFAOYSA-N	346.383	2.484	70	40	EEIB	
O=C(NCC[C@H](O)C1CCOCC1)c1cc(Br)cs1	217921187	OMFGXBCACHPAQE-NSHDSACASA-N	348.262	2.418	70	40	EEIB	
O=C(NC12CC3CC(CC(C3)C1)C2)N1CC(N2C(=O)CSC2=O)C1	217748381	IJBFAEPZAINVSF-UHFFFAOYSA-N	349.456	2.044	70	40	EEIB	
CCc1cc(S(=O)(=O)Cl)ccc1OCC(=O)N(CC)CC	100857838	ZODVZVKOMHOBDP-UHFFFAOYSA-N	333.837	2.424	70	40	EEIB	
O=S(=O)(NCCn1ccnc1-c1ccccn1)c1ccccc1F	217864221	DPEBPZQPRHBYGM-UHFFFAOYSA-N	346.387	2.063	70	40	EEIB	
CC(C)(C)c1nsc(N2CCCC[C@@H]2CCNS(C)(=O)=O)n1	159843071	FLOFKNSDNUPNJT-LLVKDONJSA-N	346.522	2.134	70	40	EEIB	
O=C(Cc1c[nH]c2ccccc12)N1CC[C@H](N2C(=O)CSC2=O)C1	217785950	NMPPNIJQOTZRHX-LBPRGKRZSA-N	343.408	2.007	70	40	EEIB	
O=C1CCC(=O)N1C1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1	217760589	YFWCJGGYBVMJSZ-NBWZEKGRSA-N	338.407	2.371	70	40	EEIB	
Cc1noc(C)c1[C@@H](C)NC(=O)N1CCN(Cc2ccccn2)CC1	160210540	YYQZSPPPNKTPPJ-CYBMUJFWSA-N	343.431	2.275	70	40	EEIB	
COc1ccc(Nc2cc(N3CCN(C)CC3)nc(C)n2)c(OC)c1	216849903	PMBLGWZQKOLCTL-UHFFFAOYSA-N	343.431	2.298	70	40	EEIB	
COc1ccc(OC)c(Nc2cc(N3CCN(C)CC3)nc(C)n2)c1	216849944	XLNBYTHXJBKYRF-UHFFFAOYSA-N	343.431	2.298	70	40	EEIB	
CO[C@H](CNC(=O)C(=O)NCc1ccco1)c1ccccc1Cl	218343802	LVBYTYZDUPHJEA-CQSZACIVSA-N	336.775	2.053	70	40	EEIB	
O=C(COc1ccc(F)cc1)NCCn1ccnc1-c1ccccn1	217859264	NQFILRGYGVTECA-UHFFFAOYSA-N	340.358	2.279	70	40	EEIB	
Cn1cccc1[C@H](O)CCNC(=O)c1ccc(C(F)(F)F)nc1	217940342	UMANGHOQURIAIZ-GFCCVEGCSA-N	327.306	2.292	70	40	EEIB	
CCCCc1nnc(NC(=O)[C@H]2CC[C@H](Cn3cnnn3)CC2)s1	218119075	NGAHHVUBFWTRCC-TXEJJXNPSA-N	349.464	2.312	70	40	EEIB	
CCn1cnnc1[C@@H]1CCCN(C(=O)[C@H]2OCCc3ccccc32)C1	159386696	DWXDJMIUDPRPAS-WBVHZDCISA-N	340.427	2.318	70	40	EEIB	
CO[C@@H](CNC(=O)C(=O)NCc1ccco1)c1ccccc1Cl	218343720	LVBYTYZDUPHJEA-AWEZNQCLSA-N	336.775	2.053	70	40	EEIB	
COC(=O)c1ccc(C(=O)Nc2cnn(CC3CCOCC3)c2)cc1	218201220	NHHYZSGQNBGDIB-UHFFFAOYSA-N	343.383	2.349	70	40	EEIB	
COc1ccc(S(=O)(=O)Cl)cc1CN(C)C(=O)C(F)(F)F	110749354	ZKHWPQLLRDJZBE-UHFFFAOYSA-N	345.726	2.143	70	40	EEIB	
CS(=O)(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1	216671533	JUBJMPILZHQKBV-LLVKDONJSA-N	325.365	2.015	70	40	EEIB	
CCN(C(=O)NC1CCOCC1)[C@H]1CCN(Cc2ccccc2)C1	159445550	LWPCSMOZZUWSBW-SFHVURJKSA-N	331.460	2.471	70	40	EEIB	
O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)Cl	100492384	FZZLKBDEGCRLMW-UHFFFAOYSA-N	329.805	2.412	70	40	EEIB	
COc1ncccc1C(=O)N1CCC2(CC1)OC(=O)c1ccccc12	217528383	PAFXHWKFHODCQG-UHFFFAOYSA-N	338.363	2.392	70	40	EEIB	
COc1cc(S(=O)(=O)Cl)c(OC)cc1NC(=O)C1CCC1	218746256	JDVJYPONMIUTGC-UHFFFAOYSA-N	333.793	2.370	70	40	EEIB	
O=C(Cc1c[nH]c2ccccc12)N1CC[C@@H](N2C(=O)CSC2=O)C1	217786024	NMPPNIJQOTZRHX-GFCCVEGCSA-N	343.408	2.007	70	40	EEIB	
C[Si](C)(C)OC(O[Si](C)(C)C)[SiH2]CCCOC[C@@H]1CO1	604940583	ONJNVUKFLIAXNA-GFCCVEGCSA-N	336.653	2.366	70	40	EEIB	
Cc1nnsc1C(=O)NCc1nn(C2CCCC2)c2c1COCC2	217586788	MJVIYORLJDBPOX-UHFFFAOYSA-N	347.444	2.161	70	40	EEIB	
COc1ccc(S(=O)(=O)Cl)cc1NC(=O)c1ccccn1	59095524	SLRUNCYZZXSEHA-UHFFFAOYSA-N	326.761	2.270	70	40	EEIB	in-vitro
COc1ncccc1C(=O)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1	217806735	YUPGMGIEOMIKAT-LBPRGKRZSA-N	342.399	2.446	70	40	EEIB	
O=S(=O)(Cl)c1cn(CCF)nc1COCCC(F)(F)F	408716573	OJWLGJZAJAMMIA-UHFFFAOYSA-N	338.710	2.249	70	40	EEIB	
CCc1ccc(Cn2cc([C@H]3SCC(=O)N3CCOC)nn2)cc1	216688396	AYRORGPIUVWMCM-QGZVFWFLSA-N	346.456	2.109	70	40	EEIB	
O=C(Nc1nnc(S(=O)(=O)Cl)s1)c1ccccc1Cl	225298679	YDIWPDTWBXRCSH-UHFFFAOYSA-N	338.197	2.371	70	40	EEIB	
COC(=O)CS[C@H]1CCN(C(=O)c2ccc(Br)o2)C1	217564539	NALUHWRTKKCYQV-QMMMGPOBSA-N	348.218	2.163	70	40	EEIB	
CCc1ccccc1Cn1cc([C@H]2SCC(=O)N2CCOC)nn1	216688733	CKONENNOYDTITE-QGZVFWFLSA-N	346.456	2.109	70	40	EEIB	
COc1cccc(NC(=O)NCC[C@@H](O)C2CCOCC2)c1OC	217930228	QRHRFCOYTMYDFP-CQSZACIVSA-N	338.404	2.003	70	40	EEIB	
O=S(=O)(Cl)c1cn(CC(F)F)nc1COCC(F)(F)F	408715307	ARYQPLGUWXMUJK-UHFFFAOYSA-N	342.673	2.155	70	40	EEIB	
COc1ccc(CCCNC(=O)CC2CCN(C)CC2)cc1OC	216903809	ACEOMLVYCQKRHE-UHFFFAOYSA-N	334.460	2.485	70	40	EEIB	
CC(C)C[C@H](NC(=O)[C@H]1CC(=O)OC1(C)C)c1nnc2ccccn12	218296993	IBOWSSSYXJUXCC-OLZOCXBDSA-N	344.415	2.274	70	40	EEIB	
CCn1cnnc1[C@H]1CCCN(C(=O)[C@H]2OCCc3ccccc32)C1	159386826	DWXDJMIUDPRPAS-RDJZCZTQSA-N	340.427	2.318	70	40	EEIB	
O=S(=O)(NCC[C@@H](O)C1CCOCC1)c1cccc2ccccc12	217924373	PZEXWZWZPQKWKK-QGZVFWFLSA-N	349.452	2.296	70	40	EEIB	
NC(=O)c1ccc2c(c1)CCCN2Cc1ncn(-c2ccccc2)n1	160817922	ACPHMKRTKVHYIQ-UHFFFAOYSA-N	333.395	2.319	70	40	EEIB	
CCCc1nnsc1C(=O)NCCn1ccnc1-c1ccccn1	217861868	NASYNEGVCVXFMN-UHFFFAOYSA-N	342.428	2.179	70	40	EEIB	
CC(C)Cc1cc(C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)[nH]n1	217716062	GKWHENHEYCEFQT-UONOGXRCSA-N	340.427	2.029	70	40	EEIB	
O=C(NCC[C@@H](O)C1CCOCC1)c1cccc(Br)c1	217919931	HBLDAXOSDGQXRB-CQSZACIVSA-N	342.233	2.357	70	40	EEIB	
O=C(Nc1nnc(S(=O)(=O)Cl)s1)c1ccc(Cl)cc1	225298730	MYLVAHKEHIOCNS-UHFFFAOYSA-N	338.197	2.371	70	40	EEIB	
COC(=O)CS[C@@H]1CCN(S(=O)(=O)c2ccccc2Cl)C1	217567734	URMDIUZNJJDGBB-SNVBAGLBSA-N	349.861	2.009	70	40	EEIB	
COC(=O)CS[C@H]1CCN(C(=O)c2cc(Cl)ccc2OC)C1	217556068	XDAGPDGPNYBVEC-NSHDSACASA-N	343.832	2.469	70	40	EEIB	
O=C(c1ccccc1Cl)N1Cc2cnc(N3CCOCC3)nc2C1	217612109	MIPGMFYLQYCNLM-UHFFFAOYSA-N	344.802	2.123	70	40	EEIB	
c1ccc([C@H](CN2CCOCC2)NC2CCC3(CC2)OCCO3)cc1	161237766	SXWLIPOECOCKMF-IBGZPJMESA-N	346.471	2.335	70	40	EEIB	
Cc1cccc(NC(=O)N2CC(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)C2)c1	217736688	LZPQHBKWOWHYHO-IYBDPMFKSA-N	339.395	2.162	70	40	EEIB	
Cc1ncncc1-c1nnc(C2CCN(C(=O)c3ccco3)CC2)o1	216639322	MYHPDZPDZVVYEF-UHFFFAOYSA-N	339.355	2.448	70	40	EEIB	
CN(C)C(=O)OCCN1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1	159550287	HMLZMEYNXVYWCJ-AWEZNQCLSA-N	329.404	2.307	70	40	EEIB	
NC(=O)[C@H]1CCCN1C(=O)c1cc(-c2ccccn2)nc2ccccc12	216694563	APPDHZIGHCNKHF-GOSISDBHSA-N	346.390	2.387	70	40	EEIB	
O=C1c2cnn(-c3ccccn3)c2-c2cccc(S(=O)(=O)Cl)c21	218817618	NFWSTEQNJATBLA-UHFFFAOYSA-N	345.767	2.406	70	40	EEIB	
CC(C)Cn1cc(S(=O)(=O)Cl)c(I)n1	408717857	XZCDWACSMTWMQE-UHFFFAOYSA-N	348.593	2.071	70	40	EEIB	
O=S(=O)(Cl)c1cc(I)cnc1Cl	238520287	OMMAWNYQNKJJCN-UHFFFAOYSA-N	337.953	2.267	70	40	EEIB	
O=C(Nc1cnn(CC2CCOCC2)c1)[C@H]1COc2ccccc2O1	218218826	ZSVFWXMGOJPKAA-QGZVFWFLSA-N	343.383	2.088	70	40	EEIB	
COC1CCN(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)CC1	217753461	LIYBFPCDJPTUST-UHFFFAOYSA-N	334.435	2.470	70	40	EEIB	
O=C(Cn1cnc2ccccc21)Nc1cnn(CC2CCOCC2)c1	218197930	OWMRUDSSNOGXQH-UHFFFAOYSA-N	339.399	2.298	70	40	EEIB	
COc1ncccc1C(=O)N1CCC[C@H](Cc2nc(C3CC3)no2)C1	217806680	YUPGMGIEOMIKAT-GFCCVEGCSA-N	342.399	2.446	70	40	EEIB	
O=C(Cc1c(F)cccc1Cl)NCC[C@@H](O)C1CCOCC1	217921071	FSCKDTHYULYBNR-OAHLLOKOSA-N	329.799	2.315	70	40	EEIB	
COC(=O)c1ccccc1Nc1cc(N2CCN(C)CC2)nc(C)n1	216850136	DQLXJZQTXKFLRN-UHFFFAOYSA-N	341.415	2.067	70	40	EEIB	
C[Si](C)(C)OC(O[Si](C)(C)C)[SiH2]CCCOC[C@H]1CO1	604940585	ONJNVUKFLIAXNA-LBPRGKRZSA-N	336.653	2.366	70	40	EEIB	
O=C(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)S(=O)(=O)F	103623989	QPFHDPIREVZASQ-UHFFFAOYSA-N	346.098	2.212	70	40	EEIB	
COC(=O)CS[C@H]1CCN(C(=O)CSCc2ccccc2)C1	217555565	RYUFCHKGQBJHEM-AWEZNQCLSA-N	339.482	2.427	70	40	EEIB	
COC(=O)CS[C@H]1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)C1	217562682	GKEMSRNSXRZGOE-ZDUSSCGKSA-N	345.424	2.197	70	40	EEIB	
O=C(Nc1ccc(S(=O)(=O)Cl)cc1[N+](=O)[O-])C(F)(F)F	100618963	VFVGZRTZGHMVPZ-UHFFFAOYSA-N	332.643	2.023	70	40	EEIB	in-vitro
COC(CN1CCN(C(=O)c2c(Cl)cccc2Cl)CC1)OC	160659269	SPAXGKFZVWQSSJ-UHFFFAOYSA-N	347.242	2.370	70	40	EEIB	
O=S(=O)(Nc1cnn(CC2CCOCC2)c1)C1CCCCC1	218245457	YVUFWUIPUHCKKA-UHFFFAOYSA-N	327.450	2.384	70	40	EEIB	
O=C(CCc1ccccc1F)N1CC[C@@H](N2C(=O)CSC2=O)C1	217783900	XLXIJPNDPMXLDN-GFCCVEGCSA-N	336.388	2.055	70	40	EEIB	
Cc1cnc(C(=O)N2CC[C@H](n3cc(-c4ccccc4)nn3)C2)cn1	217662333	FPVHJQNPDXYPSH-HNNXBMFYSA-N	334.383	2.131	70	40	EEIB	
CCOc1ccc(Cl)cc1S(=O)(=O)NC1CCN(C)CC1	216796492	SSHIANNLKDBPFJ-UHFFFAOYSA-N	332.853	2.111	70	40	EEIB	
Cn1cccc1[C@@H](O)CCNC(=O)c1ccc(C(F)(F)F)nc1	217940427	UMANGHOQURIAIZ-LBPRGKRZSA-N	327.306	2.292	70	40	EEIB	
O=c1c(Cl)c(Cl)cnn1-c1ccc(S(=O)(=O)Cl)cc1	100566390	WWYKGUIMLSJYBG-UHFFFAOYSA-N	339.587	2.467	70	40	EEIB	
CCc1cc(S(=O)(=O)Cl)ccc1OCC(=O)N1CCCC1	110749256	OJFZHBDICNDFHD-UHFFFAOYSA-N	331.821	2.178	70	40	EEIB	
Cn1cccc1[C@H](O)CCNC(=O)/C=C/c1ccc2c(c1)OCO2	217936328	USGIGJOLRPUESF-KEDPEKRHSA-N	328.368	2.007	70	40	EEIB	
C[C@@H](NC(=O)C(=O)NCC[C@H](O)c1ccsc1)c1ccccc1	217541240	GXGTYQSJWGGOEF-DOMZBBRYSA-N	332.425	2.165	70	40	EEIB	
Cn1cnc(S(=O)(=O)NCC2(c3ccsc3)CCCC2)c1	217569851	UDVWXMVIRSBUSP-UHFFFAOYSA-N	325.459	2.272	70	40	EEIB	
O=C(c1ccc2c(c1)OCO2)N1CC(n2cc(-c3ccccc3)nn2)C1	217671179	ZZUMQQCKAQPUSZ-UHFFFAOYSA-N	348.362	2.371	70	40	EEIB	
Cn1cccc1[C@@H](O)CCNC(=O)/C=C/c1ccc2c(c1)OCO2	217936408	USGIGJOLRPUESF-ZKKXHLJNSA-N	328.368	2.007	70	40	EEIB	
C[C@@](O)(CNC(=O)C(=O)NC1CCCC1)c1cc2ccccc2s1	217517327	PHXICSALBHZVPV-GOSISDBHSA-N	346.452	2.284	70	40	EEIB	
COc1ccc([C@H]2CCCN2C(=O)N[C@H]2CCc3ncnn3C2)cc1	160988141	PEWOJKUEYCSPMI-GOEBONIOSA-N	341.415	2.148	70	40	EEIB	
COC(=O)CS[C@@H]1CCN(C(=O)c2ccc(Br)o2)C1	217564452	NALUHWRTKKCYQV-MRVPVSSYSA-N	348.218	2.163	70	40	EEIB	
O=C(Cc1ccc2c(c1)OCO2)Nc1cnn(CC2CCOCC2)c1	218228799	PRNLUHQCDISCOV-UHFFFAOYSA-N	343.383	2.220	70	40	EEIB	
CC(=O)c1cccc(Nc2cc(N3CCN(C)CC3)nc(C)n2)c1	216850327	FVDZIVVJSPOZCI-UHFFFAOYSA-N	325.416	2.483	70	40	EEIB	
Cc1ccc(S(=O)(=O)NCC(=O)Nc2c(F)cccc2F)cc1	217489788	NIDVTGCXOOTIMP-UHFFFAOYSA-N	340.351	2.190	70	40	EEIB	
COc1ccccc1[C@@H](O)CNS(=O)(=O)c1cc(C)ccc1C	159379316	DOPMGYSAIJCNCT-HNNXBMFYSA-N	335.425	2.324	70	40	EEIB	
O=C(COc1ccc(Cl)cc1)NCC[C@@H](O)C1CCOCC1	217918764	WNMAZKGQEKJGQZ-OAHLLOKOSA-N	327.808	2.013	70	40	EEIB	
C[C@@](O)(CNC(=O)C(=O)Nc1ccccc1)c1cc2ccccc2o1	218002176	LREKKHGMJQNROF-LJQANCHMSA-N	338.363	2.395	70	40	EEIB	
O=C(Oc1ccc([N+](=O)[O-])cc1)c1cccc(S(=O)(=O)F)c1	104170370	SXVUZBMLAYGSBD-UHFFFAOYSA-N	325.273	2.472	70	40	EEIB	
O=[N+]([O-])c1cc(OCCCI)ccc1CO	83429589	KDXZNKLFBSBYIY-UHFFFAOYSA-N	337.113	2.291	70	40	EEIB	
Cc1ccc(NC(=O)CN2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1	159598503	DHSOJMFERXAQFR-IRXDYDNUSA-N	344.411	2.351	70	40	EEIB	
Cc1ccc(S(=O)(=O)NCC[C@H](O)C2CCOCC2)cc1Cl	217924088	ISYBZAWUVZJXAQ-HNNXBMFYSA-N	347.864	2.104	70	40	EEIB	
CCc1ccccc1Cn1cc([C@@H]2SCC(=O)N2CCOC)nn1	216688693	CKONENNOYDTITE-KRWDZBQOSA-N	346.456	2.109	70	40	EEIB	
O=c1cccc2n1C[C@H]1C[C@@H]2CN(C(=S)N[C@@H]2C[C@@H]3CC[C@H]2C3)C1	217463316	ZXDYINSNNCZYMI-LYYZXLFJSA-N	343.496	2.331	70	40	EEIB	
CN1CCC(CC(=O)NCc2cccc(CN3CCCC3=O)c2)CC1	216904197	QTZGUTXQFXXWMH-UHFFFAOYSA-N	343.471	2.157	70	40	EEIB	
CCCCOc1ccc(NC(=O)N2CC(N3C(=O)CCC3=O)C2)cc1	217717168	PINXBQGCIAYLLY-UHFFFAOYSA-N	345.399	2.231	70	40	EEIB	
CCc1nc(C)sc1C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	217585080	LNTLNQBSMBWNEV-QWHCGFSZSA-N	343.452	2.435	70	40	EEIB	
COc1ccc(CN(C)C(=O)C(F)(F)F)cc1S(=O)(=O)Cl	110749404	DZQUSFPMGUOEAZ-UHFFFAOYSA-N	345.726	2.143	70	40	EEIB	
C[C@H](NC(=O)C(=O)NCC[C@@H](O)c1ccsc1)c1ccccc1	217541335	GXGTYQSJWGGOEF-SWLSCSKDSA-N	332.425	2.165	70	40	EEIB	
CN1CCN(CCCNC(=O)CCSCc2ccccc2)CC1	217013890	KKMJQAWRJHCIBW-UHFFFAOYSA-N	335.517	2.064	70	40	EEIB	
COc1ccc(CNC(=O)CC2CCN(C)CC2)c(OC)c1OC	216898310	AYUBYPHWMTXVCF-UHFFFAOYSA-N	336.432	2.061	70	40	EEIB	
COCCC(=O)N1CCC(Nc2nc(C(C)(C)C)ns2)CC1	160014546	CKTLMRBLRLLOTG-UHFFFAOYSA-N	326.466	2.275	70	40	EEIB