smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC(C)(C)c1ccc(NC(C#N)=C2C(=O)c3ccccc3C2=O)cc1	105060	UHPRTAWDSSKEEE-UHFFFAOYSA-N	330.387	4.253	50	30	EIGC	
O=C(NNc1c(Cl)cncc1Cl)Nc1ccc(Cl)cc1	75930	GZGBPMQCANTMKZ-UHFFFAOYSA-N	331.590	4.190	50	30	EIGC	
Cc1cc(C(=O)NNc2c(Cl)cccc2Cl)n(C(C)(C)C)n1	122034	ARTFBZDKQJHNGF-UHFFFAOYSA-N	341.242	4.010	50	30	EIGC	
CC1(C)CCc2cc(/C=N/NC(=O)c3ccc(Cl)cc3)ccc2O1	149383	QVLMVVWNYSANQD-CIAFOILYSA-N	342.826	4.208	50	30	EIGC	
N#C/C(=C\Nc1ccccc1)C(=O)c1ccc(OC(F)(F)F)cc1	148959	YZXJWBVGICCZCP-ACCUITESSA-N	332.281	4.287	50	30	EIGC	
CC(C)(C)OO[C@@]1(c2ccc(Cl)cc2)OC(=O)c2ccccc21	100358503	HUIRLOSIYSITTB-GOSISDBHSA-N	332.783	4.458	50	30	EIGC	
CC(C)(C)OC(=O)N(Cc1cccc(F)c1)[C@@H]1C[C@H]1Br	230532419	LDNTXHQUGDOKAL-CHWSQXEVSA-N	344.224	4.099	50	30	EIGC	
CC(C)(C)OC(=O)N(Cc1cccc(F)c1)[C@H]1C[C@@H]1Br	230532390	LDNTXHQUGDOKAL-STQMWFEESA-N	344.224	4.099	50	30	EIGC	
CC(C)(C)OC(=O)N(Cc1cccc(F)c1)[C@H]1C[C@H]1Br	230532458	LDNTXHQUGDOKAL-OLZOCXBDSA-N	344.224	4.099	50	30	EIGC	
CC(=O)c1sc(-c2ccccc2)cc1NC(=O)C(Cl)Cl	81854	JARPWKSRJCOWHX-UHFFFAOYSA-N	328.220	4.360	50	30	EIGC	
N#C/C(N)=C(C#N)\N=C\c1ccccc1Sc1ccc(Cl)cc1	125744	JLSCYHWPFIVNJG-XETXUVPDSA-N	338.823	4.128	50	30	EIGC	
Cc1cc(Cl)ccc1NNC(=O)c1c(-c2ccccc2)noc1C	147521	RUNOOMJUNQRNFM-UHFFFAOYSA-N	341.798	4.369	50	30	EIGC	
OCCOCCO/C(=C(/CCCl)c1ccccc1)c1ccccc1	33754342	JBUHILKFZRTJNH-VXPUYCOJSA-N	346.854	4.209	50	30	EIGC	
CSC(SC)=C(C#N)C(=O)c1ccc(OC(F)(F)F)cc1	149049	WITCZOBDTIBNAK-UHFFFAOYSA-N	333.356	4.229	50	30	EIGC	
C=C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C=C	197637868	MMCLUVJVJHWRRY-UHFFFAOYSA-N	334.713	4.300	50	30	EIGC	
C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@H](Cl)CC[C@@]34C)[C@H]1CC[C@@H]2O	2265352022	YBEIZWWRPNDVCW-UYKRBRGISA-N	326.908	4.112	50	30	EIGC	
CCO[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C	195791077	RXDPPOMCFULIIG-UHFFFAOYSA-N	340.717	4.013	50	30	EIGC	
CC1=C(C#N)[C@H](c2ccc3c(c2)CCC(C)(C)O3)C2=C(CCCC2=O)N1	19834865	YDBUWKZLQVCKNJ-FQEVSTJZSA-N	348.446	4.282	50	30	EIGC	
CC(=NNC(=O)Nc1ccc(Cl)cc1)c1ccc(CC#N)s1	254846555	VYJZSLJGQHKWCO-UHFFFAOYSA-N	332.816	4.013	50	30	EIGC	
Cc1cc(/C=C(/C#N)S(C)(=O)=O)c2c(C)ccc(C(C)C)cc1-2	33365167	AANYXOAZGLBFRK-MFOYZWKCSA-N	327.449	4.441	50	30	EIGC	
CC(=O)N[C@@H](C(C)C)P(=O)(O[Si](C)(C)C)O[Si](C)(C)C	195782512	QTVHRMHCPDRUQK-GFCCVEGCSA-N	339.521	4.001	50	30	EIGC	
O=C(NCCBr)c1ccc(N=Nc2ccccc2)cc1	263613244	ZBCKKGZHAGVDDR-UHFFFAOYSA-N	332.201	4.227	50	30	EIGC	
Cc1onc(-c2ccccc2)c1C(=O)NNc1ccc(Cl)cc1	152309	VJIRFNUCIVAFJX-UHFFFAOYSA-N	327.771	4.060	50	30	EIGC	
CC(C)(C)OO[C@]1(c2ccc(Cl)cc2)OC(=O)c2ccccc21	100358506	HUIRLOSIYSITTB-SFHVURJKSA-N	332.783	4.458	50	30	EIGC	
Fc1cc(Br)cc(Br)c1CBr	2506849	QJBGMUDKJYQBBA-UHFFFAOYSA-N	346.819	4.246	50	30	EIGC	
CCC[C@H](NC(C)=O)P(=O)(O[Si](C)(C)C)O[Si](C)(C)C	195784628	XBLIXEWXKLIVMW-GFCCVEGCSA-N	339.521	4.145	50	30	EIGC	
COc1ccc(Br)c(C(=O)/C(C#N)=C/c2cccs2)c1	4322780	ZCABVEWGFRBFID-JXMROGBWSA-N	348.221	4.309	50	30	EIGC	
N#C/C(=C\Nc1ccc(OC(F)(F)F)cc1)C(=O)c1cccs1	125730	QTPRZYIEJOCKKZ-MDZDMXLPSA-N	338.310	4.349	50	30	EIGC	
Cc1ccc(C)n1-c1ccc(/C=C(/C#N)S(=O)(=O)C(C)(C)C)cc1	12368905	IZASEWBQTASXBE-PDGQHHTCSA-N	342.464	4.172	50	30	EIGC	
OCCCCCCCCC[C@@H](Br)CBr	5113123	XYZSWTZGRJFHST-LLVKDONJSA-N	330.104	4.258	50	30	EIGC	
CCSC(=O)Oc1c([C@@H](C)CC)cc([N+](=O)[O-])cc1[N+](=O)[O-]	2034229	QKKGMEKXCCXHKQ-QMMMGPOBSA-N	328.346	4.268	50	30	EIGC	
CC(=NNC(=O)c1sccc1-n1cccc1)c1ccc(Cl)cc1	725274080	MSGLCKZKEDQMBB-UHFFFAOYSA-N	343.839	4.346	50	30	EIGC	
Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)C(Cl)(Cl)[C@H]1Cl	267324819	DWMMFAQCEHVJPE-IYJRPRHRSA-N	325.277	4.211	50	30	EIGC	
O=C(CBr)c1cc(-c2ccccc2)nc2ccccc12	91363982	WNRFEPTYQNPOSC-UHFFFAOYSA-N	326.193	4.479	50	30	EIGC	
CCSC(=O)Oc1c([C@H](C)CC)cc([N+](=O)[O-])cc1[N+](=O)[O-]	2034227	QKKGMEKXCCXHKQ-MRVPVSSYSA-N	328.346	4.268	50	30	EIGC	
Cl[C@H]1[C@H](Cl)[C@H](Cl)C(Cl)(Cl)[C@H](Cl)[C@H]1Cl	267324818	DWMMFAQCEHVJPE-FNIQGMNXSA-N	325.277	4.211	50	30	EIGC	
CC(C)(C)[Si](C)(C)Oc1cc(O)ccc1CCC(=O)N1CCCC1	1535640738	ZAUCWXCQSQZEAT-UHFFFAOYSA-N	349.547	4.331	50	30	EIGC	
CC(C)(C)OC(=O)N1CCC2(CCC[C@H]2CBr)CC1	757196021	RPHTYTZWGPROBW-LBPRGKRZSA-N	332.282	4.199	50	30	EIGC	
C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@H](Cl)CC[C@@]34C)[C@@H]1CC[C@@H]2O	2265352021	YBEIZWWRPNDVCW-KMSCNQLFSA-N	326.908	4.112	50	30	EIGC	
CC(=O)N[C@H](C(C)C)P(=O)(O[Si](C)(C)C)O[Si](C)(C)C	195782510	QTVHRMHCPDRUQK-LBPRGKRZSA-N	339.521	4.001	50	30	EIGC	
CC(=O)NNc1ncnc2cc(-c3ccc(C(C)(C)C)cc3)sc12	117011	XXXYQLWQJNGASP-UHFFFAOYSA-N	340.452	4.119	50	30	EIGC	
Cc1cc(Cl)ccc1NNC(=O)c1sccc1Br	147705	PQLIGIYUBVJYPG-UHFFFAOYSA-N	345.649	4.229	50	30	EIGC	
Cc1ccc(NNC(=O)c2sccc2Br)cc1Cl	147481	QBGOGEHWWJAZDC-UHFFFAOYSA-N	345.649	4.229	50	30	EIGC	
O=C(NNc1ccc(-c2csnn2)cc1)Nc1ccc(Cl)cc1	106726	VQGLTPLKBOBFGH-UHFFFAOYSA-N	345.815	4.007	50	30	EIGC	
CN(CBr)CCOC(c1ccccc1)c1ccccc1	59969496	DEOAZTOHRSGMST-UHFFFAOYSA-N	334.257	4.077	50	30	EIGC	
O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)C(Cl)Cl	94585	RSZLFJSGIRUKCA-UHFFFAOYSA-N	342.609	4.313	50	30	EIGC	
C[Si](C)(C)OC(=O)C1(c2ccccc2)CCN([Si](C)(C)C)CC1	195808079	BUEFNVGBEGGYEU-UHFFFAOYSA-N	349.623	4.233	50	30	EIGC	
CC(C)(C)OC(=O)N1CCC(=C(C#N)c2ccc(F)cc2F)CC1	888084753	MTLZSMSTSRAKSR-UHFFFAOYSA-N	334.366	4.273	50	30	EIGC	
CCCS(=O)(=O)/C(C#N)=C/c1ccc(-c2ccc(OC)cc2)s1	110535	DTPLJSHOZQRWGX-LFIBNONCSA-N	347.461	4.113	50	30	EIGC	
O=C(NNc1cccc(Cl)c1)c1cccnc1Oc1ccccc1	4325173	FKYVJOXYVBBQOX-UHFFFAOYSA-N	339.782	4.284	50	30	EIGC	
CC(C)(C)O/C(O)=N/C[C@H](CBr)c1ccc(F)cc1	328579538	OANOJKAXOQQSNN-NSHDSACASA-N	332.213	4.033	50	30	EIGC	
C[C@H](Cl)COP(=O)(OC[C@H](C)Cl)OC[C@@H](C)Cl	1605784	GTRSAMFYSUBAGN-XHNCKOQMSA-N	327.572	4.026	50	30	EIGC	
CCOC(=O)N/N=C(\C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	4389463	WUHKUPBFKGZOAO-IFRROFPPSA-N	342.239	4.194	50	30	EIGC	
CC1=C(C#N)[C@@H](c2ccc3c(c2)CCC(C)(C)O3)C2=C(CCCC2=O)N1	19834863	YDBUWKZLQVCKNJ-HXUWFJFHSA-N	348.446	4.282	50	30	EIGC	
CC(C)(C)OC(=O)N(Cc1cccc(F)c1)[C@@H]1C[C@@H]1Br	230532357	LDNTXHQUGDOKAL-QWHCGFSZSA-N	344.224	4.099	50	30	EIGC	
N#CC(=C1SCCCCS1)S(=O)(=O)c1ccc(Cl)cc1	149541	RNCIQASENHNPIB-UHFFFAOYSA-N	345.898	4.067	50	30	EIGC	
CC(C)(C)c1csc(-c2ccc(/C=C(\C#N)S(C)(=O)=O)cc2)n1	126414	HAXDIFLGDNSXBZ-NTEUORMPSA-N	346.477	4.017	50	30	EIGC	
FC(F)(F)Oc1ccc(CBr)c(Br)c1	616576678	XWOASPVOKNZLLP-UHFFFAOYSA-N	333.929	4.243	50	30	EIGC	
Cc1ccc(COC(=O)OOC(=O)OCc2ccc(C)cc2)cc1	201171592	GKUJEKYUEIUEHS-UHFFFAOYSA-N	330.336	4.225	50	30	EIGC	
N#C/C(=C\c1cc2ccccc2o1)S(=O)(=O)c1ccc(Cl)cc1	107462	KXUAXHRVSGHSHT-MHWRWJLKSA-N	343.791	4.425	50	30	EIGC	
CCCCOC(=O)CC(CC)(OOC(C)(C)C)OOC(C)(C)C	103840336	XNRJBTFAPRFYIA-UHFFFAOYSA-N	334.453	4.320	50	30	EIGC	
N#C/C(=C\N1CCc2ccccc21)C(=O)c1cccc(C(F)(F)F)c1	149488	ZTPZRKPDQRKQPG-NTCAYCPXSA-N	342.320	4.358	50	30	EIGC	
COc1cccc(/C=C(\C#N)C(=O)c2ccc(C(C)(C)C)cc2)c1O	4344611	YWJPTCGJWCNWNB-FOWTUZBSSA-N	335.403	4.488	50	30	EIGC	
C[C@@H](Cl)COP(=O)(OC[C@@H](C)Cl)OC[C@@H](C)Cl	2545291	GTRSAMFYSUBAGN-IWSPIJDZSA-N	327.572	4.026	50	30	EIGC	
O=C(NN=Cc1c(F)cccc1Cl)c1ccccc1-n1cccc1	254405310	TXDKKKVSSBIOSX-UHFFFAOYSA-N	341.773	4.034	50	30	EIGC	
CN(C)/C=C(\C#N)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	33365459	XDPWOGMEHPKRKV-ACCUITESSA-N	333.313	4.319	50	30	EIGC	
CC(C)(C)OC(=O)N1C[C@H]1[C@@H](CCl)O[Si](C)(C)C(C)(C)C	198122201	YQCBNZGNJSFHIJ-KJJPGHAQSA-N	335.948	4.235	50	30	EIGC	in-vitro
C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@H](Cl)CC[C@]34C)[C@H]1CC[C@@H]2O	2265352020	YBEIZWWRPNDVCW-HJXPGTNHSA-N	326.908	4.112	50	30	EIGC	
CC(C)(C)CN/C(C#N)=C(C#N)\N=C\c1c(Cl)cccc1Cl	20432603	GOJZYLVOQXNXCJ-RXDWQSKCSA-N	335.238	4.307	50	30	EIGC	
C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@@H](Cl)c1ccnc2ccc(OC)cc12	256069327	KQRKDUSVAAFOOA-NIHZBZNOSA-N	342.870	4.420	50	30	EIGC	
CC(C)(C)OC(=O)N(CCCBr)Cc1ccccc1	72266136	DKSVBVQZGRVSKM-UHFFFAOYSA-N	328.250	4.209	50	30	EIGC	
FC(F)(F)c1cc(CBr)cc(CBr)c1	238566537	CMBMHSJAXXBWOL-UHFFFAOYSA-N	331.957	4.495	50	30	EIGC	
C[C@H](Cl)COP(=O)(OC[C@H](C)Cl)OC[C@H](C)Cl	238808970	GTRSAMFYSUBAGN-CIUDSAMLSA-N	327.572	4.026	50	30	EIGC	
COC(C=CNc1ccc(OCc2ccccc2)cc1)=C(C#N)C#N	2265276396	JMMXWQNXWJXRTE-UHFFFAOYSA-N	331.375	4.139	50	30	EIGC	
N#C/C(=C\Nc1ccc(OC(F)(F)F)cc1)c1nc2ccccc2[nH]1	6146377	TZJBIANRTFVWKM-ZHACJKMWSA-N	344.296	4.438	50	30	EIGC	
C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@H](Cl)CC[C@]34C)[C@@H]1CC[C@@H]2O	2265352023	YBEIZWWRPNDVCW-XNDGPHOHSA-N	326.908	4.112	50	30	EIGC	
O=C(NNc1c(Cl)cncc1Cl)c1cc2ccccc2s1	146792	IWKVFDKNFXRNNR-UHFFFAOYSA-N	338.219	4.360	50	30	EIGC	
C=C(OCC)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	111878597	JIZMJWKMHIWDGU-UHFFFAOYSA-N	333.391	4.488	50	30	EIGC	
O=C(Oc1ccc([N+](=O)[O-])cc1)c1cccnc1Oc1ccccc1	150730	KMXQZQIEMWKHMJ-UHFFFAOYSA-N	336.303	4.001	50	30	EIGC	
C[Si](C)(C)NCCP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	195809960	YRFXTYXVBFLDPF-UHFFFAOYSA-N	341.613	4.307	50	30	EIGC	
CN(C)C(C=CNc1cc(C(F)(F)F)ccc1Cl)=C(C#N)C#N	2265279359	GCTOQRWYWXNMBK-UHFFFAOYSA-N	340.736	4.147	50	30	EIGC	
CCOC(=O)/C(C#N)=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1	106186	APLBONRLRBTABJ-YCRREMRBSA-N	337.219	4.194	50	30	EIGC	
N#C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(F)c1F	93262	LXWQSPYGOUSKLT-JXMROGBWSA-N	336.700	4.303	50	30	EIGC	
CC(C)(C)c1ccc(-c2nnc(NC(=O)C(Cl)Cl)s2)cc1	115129	GOYUYNDJINQYAA-UHFFFAOYSA-N	344.267	4.245	50	30	EIGC	
N#C/C(=C\c1c(Cl)cccc1Cl)S(=O)(=O)c1cccs1	96490	VYLWLUCWSVWEKV-VQHVLOKHSA-N	344.244	4.393	50	30	EIGC	
COc1ccc(NNC(=O)c2sc3ccccc3c2Cl)cc1	148303	JCXAVMPKGAGLNX-UHFFFAOYSA-N	332.812	4.320	50	30	EIGC	
Cc1ccc(C(=O)NNc2ncnc3cc(C(C)(C)C)sc23)cc1	117080	QWNJWSWNAFNPIN-UHFFFAOYSA-N	340.452	4.054	50	30	EIGC	
OCCCCCCCCC[C@H](Br)CBr	5113118	XYZSWTZGRJFHST-NSHDSACASA-N	330.104	4.258	50	30	EIGC	
CC(C)(C)[Si](C)(C)O[C@H]1CCC=C(CCBr)[C@@H]1O	2265352212	WEDPWKSQROXBHH-STQMWFEESA-N	335.358	4.243	50	30	EIGC	
CCOC(=O)C[C@H](CC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C	197336276	YMWRRNKSXGCJGA-CYBMUJFWSA-N	346.540	4.062	50	30	EIGC	
FC(F)(F)c1nn(-c2ccccc2)c(Cl)c1CBr	90627491	UAXQPXGYYNUYAL-UHFFFAOYSA-N	339.542	4.439	50	30	EIGC	
COCCCn1c(CCl)csc1=Nc1cccc(Cl)c1	725274017	VGWKYSJIBOLPFG-UHFFFAOYSA-N	331.268	4.211	50	30	EIGC	
N#C/C(=C\c1ccc(OC(=O)c2cccs2)cc1)c1ccccn1	4347856	RGUSELSZHHYJGB-NTCAYCPXSA-N	332.384	4.426	50	30	EIGC	
Clc1ccc(C2(CBr)OCCO2)c(Cl)c1Cl	6091738	PFSSVZKNVAXVRA-UHFFFAOYSA-N	346.435	4.241	50	30	EIGC	
CN(C(=O)CBr)c1cc(Cl)c(Cl)cc1Cl	2015086	DLPGMQDDSGDXES-UHFFFAOYSA-N	331.424	4.005	50	30	EIGC	
O=C(NN=C1CCCc2ccccc21)c1sccc1-n1cccc1	725274081	NODIPLBFCUGHRQ-UHFFFAOYSA-N	335.432	4.009	50	30	EIGC	
CC(C)(C)OC(=O)N1CCC2(CCC[C@@H]2CBr)CC1	757196009	RPHTYTZWGPROBW-GFCCVEGCSA-N	332.282	4.199	50	30	EIGC	
CC(C)(C)c1ccc(NC(=O)C(Cl)Cl)c(Br)c1	76147	XEGWDJAZDBJYDH-UHFFFAOYSA-N	339.060	4.489	50	30	EIGC	
C=C[C@@H]1CN2CC[C@H]1C[C@@H]2[C@H](Cl)c1ccnc2ccc(OC)cc12	256069328	KQRKDUSVAAFOOA-RYMBOPBQSA-N	342.870	4.420	50	30	EIGC	
Cc1ccc(NNC(=O)c2c(-c3ccccc3)noc2C)cc1Cl	147475	BRMBYNVLUFOTKL-UHFFFAOYSA-N	341.798	4.369	50	30	EIGC	
N#C/C(=C\c1ccc(C#N)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1	90685	ATRBGWOSFOAWMO-WLRTZDKTSA-N	342.185	4.411	50	30	EIGC	
O=C(NCCBr)Nc1ccc(Cl)c2ccccc12	33639098	NEBWHEWBRVODCI-UHFFFAOYSA-N	327.609	4.010	50	30	EIGC	
Cc1nc(Cc2ccccc2)c2c(c1OCCCCCl)COC2	38646414	IMKUBGIAGNRTLM-UHFFFAOYSA-N	331.843	4.409	50	30	EIGC	
Cc1cc(C)cc(N/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)c1	2158453	WOJSXPCJMXFBLN-GZTJUZNOSA-N	346.839	4.208	50	30	EIGC	
O=C(NNc1nc(-c2cccs2)cs1)c1ccc(Cl)cc1	131398	PIZRULWFHMYRPY-UHFFFAOYSA-N	335.841	4.282	50	30	EIGC	
Cc1ccc(OC[C@H]2O[C@@H](Cl)C[C@@H]2Oc2ccc(C)cc2)cc1	27889529	VJQUMYQNPLTFOB-IPMKNSEASA-N	332.827	4.484	50	30	EIGC	
C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@H](Cl)c1ccnc2ccc(OC)cc12	256069325	KQRKDUSVAAFOOA-BBNYVJOESA-N	342.870	4.420	50	30	EIGC	
O=C(NNc1nc(-c2ccc(F)cc2)cs1)c1ccc(Cl)cc1	119057	FVBIPONWFAFCQS-UHFFFAOYSA-N	347.802	4.360	50	30	EIGC	
N#C/C(=C\c1cc(Cl)sc1Cl)S(=O)(=O)c1ccccc1	107993	KXMLHPLOOFYXCT-IZZDOVSWSA-N	344.244	4.393	50	30	EIGC	
COCP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1	113929983	HWSRCQCLMVFRQK-UHFFFAOYSA-N	342.806	4.274	50	30	EIGC	
CC(C)(C)O/C(O)=N/C[C@@H](CBr)c1ccc(F)cc1	328579537	OANOJKAXOQQSNN-LLVKDONJSA-N	332.213	4.033	50	30	EIGC	
Cc1ccc(N/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1	2158508	OGFJYYUVSULLJH-LFIBNONCSA-N	346.839	4.208	50	30	EIGC	
Cc1cc(C(=O)N/N=C/C(C)(C)C)nn1-c1ccc(C(C)C)cc1	115481	OABUXXXTIKDNTJ-UDWIEESQSA-N	326.444	4.066	50	30	EIGC	
CCC[C@@H](NC(C)=O)P(=O)(O[Si](C)(C)C)O[Si](C)(C)C	195784625	XBLIXEWXKLIVMW-LBPRGKRZSA-N	339.521	4.145	50	30	EIGC	
ClC1[C@H](Cl)[C@H](Cl)C(Cl)(Cl)[C@@H](Cl)[C@H]1Cl	267324816	DWMMFAQCEHVJPE-FCAWWPLPSA-N	325.277	4.211	50	30	EIGC	
FC(F)(F)COc1cccc(CBr)c1Br	238512792	APZFVIUDWUSNDI-UHFFFAOYSA-N	347.956	4.285	50	30	EIGC	
BrCc1cccc(Br)c1Br	113531035	LHGCCAHOOWGBKW-UHFFFAOYSA-N	328.829	4.107	50	30	EIGC	
C[C@H](Cl)COP(=O)(OC[C@@H](C)Cl)OC[C@@H](C)Cl	59617405	GTRSAMFYSUBAGN-HLTSFMKQSA-N	327.572	4.026	50	30	EIGC	
COC(=O)c1ccc(SSc2ccc(C(=O)OC)cc2)cc1	2583541	VGCZYLQMVYJBNY-UHFFFAOYSA-N	334.418	4.059	50	30	EIGC	in-vitro
C=C[C@@H]1CN2CC[C@H]1C[C@@H]2[C@@H](Cl)c1ccnc2ccc(OC)cc12	256069326	KQRKDUSVAAFOOA-ITHTXLDVSA-N	342.870	4.420	50	30	EIGC	
N#CC=CC(=CNc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1	2265279017	XGEJXFWFMRFEBX-UHFFFAOYSA-N	344.823	4.147	50	30	EIGC	
CC(C)(CCC(C)(C)OOC(=O)C(C)(C)C)OOC(=O)C(C)(C)C	79638629	AUZOWNCZAHHZQB-UHFFFAOYSA-N	346.464	4.366	50	30	EIGC	
Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)C(Cl)(Cl)[C@H]1Cl	267324821	DWMMFAQCEHVJPE-REJXVDBHSA-N	325.277	4.211	50	30	EIGC	
COC(=C(C#N)C#N)c1c(-c2c(Cl)cccc2Cl)noc1C	1045616	ZCOFIUWALSILHN-UHFFFAOYSA-N	334.162	4.361	50	30	EIGC	
CC(C)(C)OC(=O)Nc1ccc(C(=O)CCl)c(Br)c1	309949736	FNNSHYIIIOQROP-UHFFFAOYSA-N	348.624	4.218	50	30	EIGC	
N#C/C(=C\c1c(F)cccc1Cl)C(=O)Nc1ccc(F)cc1F	167828	XOCAIBIABBOJHI-RMKNXTFCSA-N	336.700	4.303	50	30	EIGC	
O=C(NNc1cc(C(F)(F)F)nc2ccccc12)Nc1ccccc1	169806	RZNDIPUZFLIVTA-UHFFFAOYSA-N	346.312	4.402	50	30	EIGC	
N#CC(C#N)=CN1CCC(C(c2ccccc2)c2ccccc2)CC1	93419	SLROGDCPXKCYBJ-UHFFFAOYSA-N	327.431	4.462	50	30	EIGC