smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COC(=O)c1c(C)[nH]c(C)c1/C=C(\C#N)C(=O)c1ccc(OC)cc1	4363464	MKUSZGHGHUOMRO-NTEUORMPSA-N	338.363	3.217	50	30	EGGC	
N#CC(C#N)=Cc1ccccc1N1CCN(Cc2ccccc2)CC1	63608910	WDQCUGKFCUNDMR-UHFFFAOYSA-N	328.419	3.439	50	30	EGGC	
O=C(NNC(=O)c1cccn1-c1ccc(F)cc1)Nc1ccccc1	110702	JKLIHCFYFIHOTJ-UHFFFAOYSA-N	338.342	3.083	50	30	EGGC	
CCOc1ccc(Br)cc1C=NNC(=O)c1cccnc1	254620611	VDMUFJGPNSEKFI-UHFFFAOYSA-N	348.200	3.007	50	30	EGGC	
CNc1ccc(Cl)cc1C(=O)N/N=C/c1ccc(N(C)C)cc1	4307042	WGZZKURUUZCEGM-RGVLZGJSSA-N	330.819	3.212	50	30	EGGC	
CSc1sc(C(=O)NN)c2c1C1(CCC2)SCCS1	4351386	QZWYADYTGKLZQS-UHFFFAOYSA-N	332.541	3.043	50	30	EGGC	
C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4C(O)=C(C#N)C[C@]35C)[C@@H]1CC[C@H]2O	122222524	KVJXBPDAXMEYOA-URIMXACDSA-N	329.440	3.467	50	30	EGGC	
CCCCO[Si](CCCNCCN)(OCCCC)OCCCC	195772419	UTQYJVXHFBBNJJ-UHFFFAOYSA-N	348.604	3.314	50	30	EGGC	
COc1ccc(C(=O)NNC(=S)Nc2ccc(C(C)C)cc2)cc1	67308	UPDRAJKLUBOVHU-UHFFFAOYSA-N	343.452	3.450	50	30	EGGC	
CC(C)(C)c1cc(C(=O)NN)n(Cc2ccc(Cl)cc2Cl)n1	128362	QZTPHSIBWMQJLD-UHFFFAOYSA-N	341.242	3.139	50	30	EGGC	
CC(C)(C)[Si](OCCCCO)(c1ccccc1)c1ccccc1	196119841	WGBBKMOBGARXLF-UHFFFAOYSA-N	328.528	3.336	50	30	EGGC	
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)CBr	2559582	CNNTUEOUWGOIHI-GFCCVEGCSA-N	342.233	3.086	50	30	EGGC	
Cc1ccc(-c2cc(-c3ccco3)c3c(N)c(C(=O)NN)oc3n2)cc1	159780	YYLIKJRUDUVNBZ-UHFFFAOYSA-N	348.362	3.249	50	30	EGGC	
C/C(NNc1cc(C(F)(F)F)ccc1Cl)=C(/C#N)C(N)=S	126776	NPEAZZSVONBRPY-SOFGYWHQSA-N	334.754	3.359	50	30	EGGC	
O=C=Nc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl	8698481	BRUPJCNFXFDDRU-UHFFFAOYSA-N	348.811	3.449	50	30	EGGC	
O=C(NCCCCI)OCc1ccccc1	198645843	HNYONNPYIRAQQH-UHFFFAOYSA-N	333.169	3.128	50	30	EGGC	
CC[C@H](C)[C@@H](C(=O)O)N(Cc1ccccc1)NC(=O)OC(C)(C)C	4262349	VOVAEVRERZBTPA-ZFWWWQNUSA-N	336.432	3.428	50	30	EGGC	
CCOC(=O)/C(C#N)=C/Nc1ccc(Oc2cncc(Cl)c2)nc1	6146370	QRFIQQOQTWVHBU-YRNVUSSQSA-N	344.758	3.305	50	30	EGGC	
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)CBr	38260431	CNNTUEOUWGOIHI-LBPRGKRZSA-N	342.233	3.086	50	30	EGGC	
CCOC(=O)c1sc2ncccc2c1NC(=O)C(Cl)Cl	81934	JUJMFMOYXCXMOC-UHFFFAOYSA-N	333.196	3.215	50	30	EGGC	
O=C(NCCBr)NC(c1ccccc1)c1ccccc1	33639100	ZIIBSXCDMUVOLI-UHFFFAOYSA-N	333.229	3.470	50	30	EGGC	
O=C(N[C@H](CCl)C(=O)c1ccc(Cl)cc1)C(Cl)Cl	3647462	MLVKMSCFQIQULM-MRVPVSSYSA-N	329.010	3.050	50	30	EGGC	in-man
O=C(C=Cc1ccc(Cl)cc1)NNC(=O)c1ccc(Cl)cc1	2265241343	SXPFYRMJGNBAIB-UHFFFAOYSA-N	335.190	3.468	50	30	EGGC	
O=C(NN=Cc1cccs1)C(=O)Nc1cc(Cl)ccc1Cl	254832847	QUCDEELFGASPRD-UHFFFAOYSA-N	342.207	3.144	50	30	EGGC	
CCOC(=O)/C(C#N)=C/C=C(/c1ccc(Cl)cc1)N1CCOCC1	2388833	WZICQINJSZMXTB-XXKNDPKBSA-N	346.814	3.026	50	30	EGGC	
COc1cccc(/C=N/NC(=O)COc2ccc(C)c3c2CCC3)c1	81003	IJNUBQPXKZFDAK-CIAFOILYSA-N	338.407	3.021	50	30	EGGC	
CC(=O)Nc1cccc(OC(=O)c2ccccc2)c1C(=O)CCl	39123907	NOJNXJUJRJXWJP-UHFFFAOYSA-N	331.755	3.286	50	30	EGGC	
CC(=O)NNC(=O)c1cc2c(s1)-c1cc(Cl)ccc1SC2	107733	SCMDFDCNXOFLFI-UHFFFAOYSA-N	338.841	3.455	50	30	EGGC	
CS(=O)(=O)/C(C#N)=C/c1cccn1-c1ccc(C(F)(F)F)cc1	112426	DVFFJMLEIJTWOX-NTEUORMPSA-N	340.326	3.405	50	30	EGGC	
CC1=C(C#N)S(=O)(=O)[C@@H](C#N)[C@H](c2cccc(C(F)(F)F)c2)C1	142889	SOTSTEDQHVJLMG-JSGCOSHPSA-N	340.326	3.297	50	30	EGGC	
CCOC(=O)[C@@H](Br)c1nc(Br)sc1C	390822019	ISPQIKDGYXCCRK-YFKPBYRVSA-N	343.040	3.213	50	30	EGGC	
CC1(C)C[C@@H](N=C=O)C[C@@](C)(CNC(=O)N2CCCCCC2=O)C1	38642809	UTXHODYEQYVYHR-RDTXWAMCSA-N	335.448	3.019	50	30	EGGC	
CCCCC#Cc1ccc(C(=O)NNC(=O)Nc2ccccc2)o1	4364210	VZMYQQFTTDQZAS-UHFFFAOYSA-N	325.368	3.288	50	30	EGGC	
CC1=C(C#N)S(=O)(=O)[C@@H](C#N)[C@@H](c2cccc(C(F)(F)F)c2)C1	142884	SOTSTEDQHVJLMG-OCCSQVGLSA-N	340.326	3.297	50	30	EGGC	
CN(C)n1cccc1/C=C(\C#N)C(=O)c1cccc(C(F)(F)F)c1	4351067	CWAROMXWHGGMKK-JLHYYAGUSA-N	333.313	3.494	50	30	EGGC	
COC(=O)[C@H](Br)c1ccc(F)c(Br)c1	126596011	JDZXEBKAUYNVQO-MRVPVSSYSA-N	325.959	3.197	50	30	EGGC	
C[C@H](CO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C	196206749	UZZUJVWXCWFVAK-QGZVFWFLSA-N	328.528	3.191	50	30	EGGC	
CC(C)=NNC(=O)CSc1cc(Oc2ccc(F)cc2)ncn1	33892200	IJDPVAIJEKZOCY-UHFFFAOYSA-N	334.376	3.012	50	30	EGGC	
CC(C)(C)OOc1nc(OOC(C)(C)C)nc(OOC(C)(C)C)n1	95713317	NSWXQQHHYHEEES-UHFFFAOYSA-N	345.396	3.198	50	30	EGGC	
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H]2CI	1535644647	LPTBRFBUACUIOQ-AEJSXWLSSA-N	337.201	3.209	50	30	EGGC	
O=C(NNc1ccccc1)c1cccc(I)c1	1854791	JKZZGXXZSADHRO-UHFFFAOYSA-N	338.148	3.048	50	30	EGGC	
N#C/C(C1=N[C@@H](c2ccccc2)CO1)=C1\N[C@@H](c2ccccc2)CO1	100107152	QVVGSAYHUSBCQV-SRKGJJLTSA-N	331.375	3.253	50	30	EGGC	
Cc1c(CC(=O)NNC(=O)NC(C)C)sc2ccc(Cl)cc12	2148640	QWQOGQCLPXFKNM-UHFFFAOYSA-N	339.848	3.144	50	30	EGGC	
O=C1O[C@H](CBr)CN1c1ccc(Br)cc1	307225322	UMAUSHDSKQVKOD-SECBINFHSA-N	334.995	3.169	50	30	EGGC	
CSc1nc(C)nc(N/C=C(\C#N)C(=O)c2ccccc2Cl)n1	3082963	OHPGNGIZCVDRJW-CSKARUKUSA-N	345.815	3.258	50	30	EGGC	
O=C1[C@H](Br)CCCN1c1ccc(Br)cc1	70060787	DKEYXLYPWCGDJW-SNVBAGLBSA-N	333.023	3.339	50	30	EGGC	
COC(=O)[C@H](CO[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(C)C	195858222	HKFBJRUJLJWAJR-NSHDSACASA-N	333.501	3.075	50	30	EGGC	
CCCCC#Cc1cncc(C(=O)NNC(=O)Nc2ccccc2)c1	4364079	FOOQWVQWWJGVGG-UHFFFAOYSA-N	336.395	3.090	50	30	EGGC	
C[C@]12CC[C@@H]3[C@H](CCC4=C/C(=N\NC(N)=O)CC[C@@]43C)[C@H]1CC[C@@H]2O	2265351606	NXPSOHNZCNYPIC-POZUNCIASA-N	345.487	3.334	50	30	EGGC	
CC(C)(C)OC(=O)/C(C#N)=C\[C@H]1CCCN(C(=O)OC(C)(C)C)C1	214467086	KLOYTELVYPQRBU-JFBXQDQPSA-N	336.432	3.425	50	30	EGGC	
Nc1ccccc1C(=O)NNC(=O)c1sc2ccccc2c1Cl	150764	HJXRIBRROSPQQD-UHFFFAOYSA-N	345.811	3.212	50	30	EGGC	
CC1=C(C#N)[C@@H](c2ccccc2N2CCOCC2)C2=C(CCCC2=O)N1	19834898	IEZLORJSXYBMGZ-HXUWFJFHSA-N	349.434	3.015	50	30	EGGC	
N#C/C(=C\N1CCC(C(F)(F)F)CC1)S(=O)(=O)c1ccccc1	33365538	WOZPMOMOPBZUOU-SDNWHVSQSA-N	344.358	3.100	50	30	EGGC	
O=C(NNc1nccc(C(F)(F)F)n1)Nc1cccc(Cl)c1	117427	FNMWNPWNORJRBW-UHFFFAOYSA-N	331.685	3.297	50	30	EGGC	
CC(C)(C)C(=O)NNC(=O)c1cc2sccc2nc1C(F)(F)F	1495730	CTXDLEKMQILFIS-UHFFFAOYSA-N	345.346	3.122	50	30	EGGC	
CS(=O)(=O)/C(C#N)=C/c1ccc(OCc2cc(F)cc(F)c2)cc1	113065	VSAHYUJBFFWWJE-CAOOACKPSA-N	349.358	3.453	50	30	EGGC	
NNC(=O)c1cccc(COc2ccc(C3SCCS3)cc2)c1	131261	BMJZPXOOMJSQJT-UHFFFAOYSA-N	346.477	3.348	50	30	EGGC	
CC1(C)C[C@@H](N=C=O)C[C@](C)(CNC(=O)N2CCCCCC2=O)C1	38642815	UTXHODYEQYVYHR-KDOFPFPSSA-N	335.448	3.019	50	30	EGGC	
Cn1nc(C(C)(C)C)cc1C(=O)NNc1c(Cl)cncc1Cl	147550	IKTQHIIVYUVVNV-UHFFFAOYSA-N	342.230	3.176	50	30	EGGC	
C[C@]12CC[C@@H]3[C@H](CCC4=C/C(=N\NC(N)=O)CC[C@@]43C)[C@@H]1CC[C@H]2O	2265351604	NXPSOHNZCNYPIC-IZGDDWPISA-N	345.487	3.334	50	30	EGGC	
BrC[C@H]1CC[C@H](Br)N(c2ccccn2)C1	1081260685	XWWNGROYEKCXAJ-NXEZZACHSA-N	334.055	3.414	50	30	EGGC	
BrC[C@@H]1CC[C@@H](Br)N(c2ccccn2)C1	1081260686	XWWNGROYEKCXAJ-UWVGGRQHSA-N	334.055	3.414	50	30	EGGC	
Cc1ccc(CN2C(=O)C(=NOC(=O)CCl)c3ccccc32)cc1	254307955	OYPAXQQXHMHAAQ-UHFFFAOYSA-N	342.782	3.028	50	30	EGGC	
CC(C)(C)OC(=O)N1CCC2(CC[C@H](CBr)O2)CC1	238078360	IMKBTWIBJLMFLD-LLVKDONJSA-N	334.254	3.330	50	30	EGGC	
Cc1cc(C)c2c(N)c(C(=O)N/N=C/c3ccc(F)cc3)sc2n1	159124	BAVMUDOWPNZEJP-DNTJNYDQSA-N	342.399	3.398	50	30	EGGC	
BrC[C@H]1CC[C@@H](Br)N(c2ccccn2)C1	1081260688	XWWNGROYEKCXAJ-ZJUUUORDSA-N	334.055	3.414	50	30	EGGC	
CC1(C)C[C@H](N=C=O)C[C@](C)(CNC(=O)N2CCCCCC2=O)C1	38642812	UTXHODYEQYVYHR-KSSFIOAISA-N	335.448	3.019	50	30	EGGC	
O=C(CCCl)ON=C1C(=O)N(c2ccccc2)c2ccccc21	2265279448	GQDUZDMEEWZPII-UHFFFAOYSA-N	328.755	3.241	50	30	EGGC	
CC(C)(C)OC(=O)/C(C#N)=C\[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	214467028	KLOYTELVYPQRBU-ODUNQGDFSA-N	336.432	3.425	50	30	EGGC	
Cc1csc(C(=O)NNC(=O)c2cc(Cl)cc(Cl)c2)c1	82627	DEIGAAPANUSBBO-UHFFFAOYSA-N	329.208	3.438	50	30	EGGC	
O=S(=O)(c1ccccc1)[C@@H](Br)CNC1CCCCC1	21987413	OYZXFAFKSJDQPG-CQSZACIVSA-N	346.290	3.104	50	30	EGGC	
CCOc1ccc(Br)cc1C=NNC(=O)c1ccncc1	15986832	AOJALGQZMYTSGO-UHFFFAOYSA-N	348.200	3.007	50	30	EGGC	
Cc1cc(N2CC[C@@H](Br)C2=O)ccc1Br	82606688	QPKPUPBGJRZLBK-SNVBAGLBSA-N	333.023	3.258	50	30	EGGC	in-vitro
CCOC(=O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C	200494869	QVSJNHCPNBUOJE-UHFFFAOYSA-N	342.511	3.126	50	30	EGGC	
C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCCO)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4	103245128	BAJSYLWSYBXRPS-VMAIWCPRSA-N	326.433	3.009	50	30	EGGC	
CCCCC#Cc1cncc(C(=O)N/N=C/c2cccc(OC)c2)c1	4364056	BJLLGUVEBJGRQK-HYARGMPZSA-N	335.407	3.396	50	30	EGGC	
O=C(F)[C@](F)(Oc1c(F)c(F)c(F)c(F)c1F)C(F)(F)F	100112482	YZGGYKGDCXXVHY-QMMMGPOBSA-N	330.077	3.485	50	30	EGGC	
O=C(N[C@@H](CCl)C(=O)c1ccc(Cl)cc1)C(Cl)Cl	3647463	MLVKMSCFQIQULM-QMMMGPOBSA-N	329.010	3.050	50	30	EGGC	in-man
Cc1cc(NC(=O)/C(C#N)=C/c2cc(Br)cs2)no1	140923	CBLWGBNHFKSRKM-FPYGCLRLSA-N	338.186	3.353	50	30	EGGC	
O=C1[C@@H]2C[C@H]3[C@H]4[C@H]2[C@]2(Cl)[C@H](Cl)[C@@](Cl)([C@@H]13)[C@@H]4C2(Cl)Cl	223531706	UDFQQJDINSJWJG-JNVJNHEWSA-N	346.468	3.447	50	30	EGGC	
CN1CCN(C2=Nc3cscc3/C(=C/C#N)c3cscc32)CC1	4217521	RVQVUMIXBGFJLZ-SWGQDTFXSA-N	340.477	3.404	50	30	EGGC	in-man
CCCC[C@H](CC)COOC(=O)c1ccc(S(=O)(=O)O)cc1	100137856	SALOYNIKDOINJC-LBPRGKRZSA-N	330.402	3.238	50	30	EGGC	
CC(C)(C)OC(=O)n1nc(CBr)c2ccc(F)nc21	89224466	JHGFMHKJAGYPEL-UHFFFAOYSA-N	330.157	3.249	50	30	EGGC	
CC(C)(C)OO[Si](c1ccccc1)(c1ccccc1)c1ccccc1	196294584	BJDCYOLBAMFSMI-UHFFFAOYSA-N	348.518	3.400	50	30	EGGC	
C=CC(=O)OCCOC(=O)C(C#N)=C(c1ccccc1)c1ccccc1	137311658	ZJQFXMRCCPCFEP-UHFFFAOYSA-N	347.370	3.284	50	30	EGGC	
CCOC(=O)[C@H](Br)c1nc(Br)sc1C	390822018	ISPQIKDGYXCCRK-RXMQYKEDSA-N	343.040	3.213	50	30	EGGC	
COc1ccc(/C=N/NC(=O)c2cccn2-c2ccc(F)cc2)cc1	110689	WEKWTUACRMWQRG-FYJGNVAPSA-N	337.354	3.389	50	30	EGGC	
CSc1cccc(NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2)c1	4344534	HXUSBOSYMDMHBP-VCHYOVAHSA-N	347.827	3.151	50	30	EGGC	
CC1=C(C#N)S(=O)(=O)[C@H](C#N)[C@H](c2cccc(C(F)(F)F)c2)C1	142894	SOTSTEDQHVJLMG-GXTWGEPZSA-N	340.326	3.297	50	30	EGGC	
CCOC(=O)NNC(=S)Nc1ccc(OCc2ccccc2)cc1	4366516	CUFBWZGOOLKOQA-UHFFFAOYSA-N	345.424	3.213	50	30	EGGC	
N#C/C(=C\Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccn1	6146394	MDQKIXIZHDAGHJ-PKNBQFBNSA-N	337.763	3.125	50	30	EGGC	
O=C(Cc1ccc2ccccc2c1)N/N=C/c1ccccc1[N+](=O)[O-]	87625	AABVAJWACWAXQS-DEDYPNTBSA-N	333.347	3.441	50	30	EGGC	
O=C(F)[C@@](F)(Oc1c(F)c(F)c(F)c(F)c1F)C(F)(F)F	100112485	YZGGYKGDCXXVHY-MRVPVSSYSA-N	330.077	3.485	50	30	EGGC	
CN(C)C(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1	211342587	XJQDDBLONWZPGZ-UHFFFAOYSA-N	348.406	3.069	50	30	EGGC	
COC(=O)C(C)(C)OC(=O)O[C@@H](Cl)C(Cl)(Cl)Cl	22063726	WYSFBJLDAOCHKN-SCSAIBSYSA-N	327.975	3.026	50	30	EGGC	in-vitro
Cc1cc(NNC(=O)Nc2cccc(Cl)c2)nc2c1c(C)nn2C	126105	SWTNQTGSOCFDMA-UHFFFAOYSA-N	344.806	3.387	50	30	EGGC	
O=S(=O)(c1ccccc1)[C@H](Br)CNC1CCCCC1	21987414	OYZXFAFKSJDQPG-AWEZNQCLSA-N	346.290	3.104	50	30	EGGC	
Cc1nc(C(F)(F)F)nc(NNC(=O)Nc2ccccc2)c1C	123932	CLMVOJHGDNUJKG-UHFFFAOYSA-N	325.294	3.261	50	30	EGGC	
COC(=O)c1cc(CBr)c(F)cc1Br	219304053	UJGRSBLVTQRGPN-UHFFFAOYSA-N	325.959	3.270	50	30	EGGC	
O=C(NNC(=O)c1ccc(C#Cc2ccccc2)o1)Nc1ccccc1	170545	CZLPTHKPCVMXMC-UHFFFAOYSA-N	345.358	3.146	50	30	EGGC	
BrC[C@@H]1CC[C@H](Br)N(c2ccccn2)C1	1081260687	XWWNGROYEKCXAJ-VHSXEESVSA-N	334.055	3.414	50	30	EGGC	
COc1cc(N/C=C(\C#N)C(=O)c2ccsc2)cc(OC)c1OC	2155084	WCGSPVCJANDEFC-FMIVXFBMSA-N	344.392	3.476	50	30	EGGC	
N#C/C(C(N)=O)=C1/SC=C(c2ccccc2)N1Cc1ccccc1	4323520	ZJAZJSIYTWRUPI-MNDPQUGUSA-N	333.416	3.454	50	30	EGGC	
O=C(NNC(=S)Nc1cc(Cl)ccc1Cl)c1ccco1	161559	FSDBFZVKQUVOJZ-UHFFFAOYSA-N	330.196	3.218	50	30	EGGC	
CN(C)c1ccc(C(=O)N/N=C/c2ccc(N(C)C)cc2Cl)cc1	137350	YLNFITXPHGJHJF-UDWIEESQSA-N	344.846	3.236	50	30	EGGC	
CN(NC(=O)c1c(Cl)cccc1Cl)C(=S)NC(C)(C)C	3134060	PLOISWKGNXHSJI-UHFFFAOYSA-N	334.272	3.243	50	30	EGGC	
Cc1cc(N2CC[C@H](Br)C2=O)ccc1Br	82606686	QPKPUPBGJRZLBK-JTQLQIEISA-N	333.023	3.258	50	30	EGGC	in-vitro
CC1=C(C#N)S(=O)(=O)[C@H](C#N)[C@@H](c2cccc(C(F)(F)F)c2)C1	142891	SOTSTEDQHVJLMG-TZMCWYRMSA-N	340.326	3.297	50	30	EGGC	
O=C(NNC(=O)C1CCC1)c1cc2c(s1)-c1ccccc1CC2	70267	NMOKQEYGKDZEDR-UHFFFAOYSA-N	326.421	3.075	50	30	EGGC	
COC(=O)C(C)(C)OC(=O)O[C@H](Cl)C(Cl)(Cl)Cl	22063728	WYSFBJLDAOCHKN-BYPYZUCNSA-N	327.975	3.026	50	30	EGGC	in-vitro
CC1(C)C[C@H](N=C=O)C[C@@](C)(CNC(=O)N2CCCCCC2=O)C1	38642806	UTXHODYEQYVYHR-KBXCAEBGSA-N	335.448	3.019	50	30	EGGC	
C[Si](C)(C)O[Si](C)(CCCN1CCOCC1)O[Si](C)(C)C	196559222	GPIBTCMJPLMJJI-UHFFFAOYSA-N	349.696	3.484	50	30	EGGC	
O=C(CSc1ccccc1)NN=Cc1cc([N+](=O)[O-])ccc1Cl	254866578	MXOZDDUBWPVBLD-UHFFFAOYSA-N	349.799	3.491	50	30	EGGC	
COC(=O)c1cnn(-c2c(Cl)cccc2Cl)c1C=C(C#N)C#N	124110	AKZIYZVKDVGOMY-UHFFFAOYSA-N	347.161	3.396	50	30	EGGC	
COc1cc(CBr)c([N+](=O)[O-])cc1OCC(F)F	37756215	QLSDVXNFSZVNKE-UHFFFAOYSA-N	326.093	3.142	50	30	EGGC	in-vitro
CC(C)(C)C(=O)NNC(=O)c1cc2ncc(C(F)(F)F)cc2s1	123781	XQPZPJVXJXBOPS-UHFFFAOYSA-N	345.346	3.122	50	30	EGGC	
NNC(=O)c1oc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1N	156943	CTOLJPMBGOTPEK-UHFFFAOYSA-N	344.374	3.348	50	30	EGGC	
Cc1cc(NNC(=O)Nc2ccc(Cl)cc2)nc2c1c(C)nn2C	126192	WOXYBPDHEGYCJT-UHFFFAOYSA-N	344.806	3.387	50	30	EGGC	
O=C(Cl)OCC(Br)(Br)Br	5178436	CVIJTVPSUNZYMA-UHFFFAOYSA-N	345.212	3.200	50	30	EGGC	
Cc1cc(C)c2c(N)c(C(=O)N/N=C/c3cccs3)sc2n1	159136	XVVUWKWSRDRMEN-REZTVBANSA-N	330.438	3.321	50	30	EGGC	
CC(C)(C)OC(=O)N1CCC2(CC[C@@H](CBr)O2)CC1	238078301	IMKBTWIBJLMFLD-NSHDSACASA-N	334.254	3.330	50	30	EGGC	
CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1CO[Si](C)(C)C(C)(C)C	196067339	TWNQXBYPAUOYPX-QWHCGFSZSA-N	331.529	3.379	50	30	EGGC	
COc1ccc(P(=O)(c2ccccc2)c2ccc(OC)cc2)cc1	103834308	NBQOOLBMFPUECX-UHFFFAOYSA-N	338.343	3.343	50	30	EGGC	
O=C(CBr)c1ccccc1N1C(=O)c2ccccc2C1=O	96300658	MRWGJWVERUCIOT-UHFFFAOYSA-N	344.164	3.065	50	30	EGGC	
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](I)CC1	145062171	QCZCZCVQESKMBB-KYZUINATSA-N	325.190	3.257	50	30	EGGC	
C[C@]12CC[C@@H]3[C@H](CCC4=C/C(=N\NC(N)=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O	2265351607	NXPSOHNZCNYPIC-UXENYZBBSA-N	345.487	3.334	50	30	EGGC	
CC(C)(C)OC(=O)N1CCCC[C@H]1CI	72194516	FLAFMLGPWINZEY-VIFPVBQESA-N	325.190	3.211	50	30	EGGC	
O=[N+]([O-])c1cccc(I)c1CBr	222929905	AIOZXQHSCIRRJT-UHFFFAOYSA-N	341.930	3.094	50	30	EGGC	
O=C(CSc1ccc(Cl)cc1)NN=Cc1ccc([N+](=O)[O-])o1	252623590	OUVSQCKQHXQLBC-UHFFFAOYSA-N	339.760	3.084	50	30	EGGC	
NNC(=O)c1oc2nc(-c3cccs3)cc(-c3ccco3)c2c1N	159890	SRCFFETXIPCCFE-UHFFFAOYSA-N	340.364	3.002	50	30	EGGC	
O=C1OC(=O)c2ccccc2C1=NNc1cccc(C(F)(F)F)c1	254705054	LVRLFNPANBVLIV-UHFFFAOYSA-N	334.253	3.219	50	30	EGGC	
COC(=O)c1sccc1NNC(=O)c1ccc(C(F)(F)F)cc1	82723	MKZIIOGBLFBZBH-UHFFFAOYSA-N	344.314	3.310	50	30	EGGC	
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=N\NC(N)=O	13520626	YQFYQKHUSBMOSC-UYCRJBTFSA-N	345.487	3.334	50	30	EGGC	
CCOC(=O)c1c(/C(C#N)=C/N)c2ccc(Cl)c(Cl)c2n1C	100207789	CXJCGSPAPOTTSF-SOFGYWHQSA-N	338.194	3.485	50	30	EGGC	
C[C@]12CC[C@@H]3[C@H](CCC4=C/C(=N\NC(N)=O)CC[C@@]43C)[C@H]1CC[C@H]2O	2265351605	NXPSOHNZCNYPIC-NLVPXQTBSA-N	345.487	3.334	50	30	EGGC	
CC1=C(C#N)[C@H](c2ccccc2N2CCOCC2)C2=C(CCCC2=O)N1	19834900	IEZLORJSXYBMGZ-FQEVSTJZSA-N	349.434	3.015	50	30	EGGC	
N#C/C(=C\Nc1ccc(F)cc1F)S(=O)(=O)c1cccs1	95440	SNAIPORLRRYUHV-CSKARUKUSA-N	326.349	3.277	50	30	EGGC	
CN(C)c1ccc(C=NNC(=O)c2sccc2-n2cccc2)cc1	15986889	LFMVSHKKCBLGGM-UHFFFAOYSA-N	338.436	3.369	50	30	EGGC	
CC(C)(C)C(=O)C(C#N)=CN1CCN(CC=Cc2ccccc2)CC1	2265272030	ITKGYJJKSOHMMW-UHFFFAOYSA-N	337.467	3.340	50	30	EGGC	
O=C(NN=Cc1ccc([N+](=O)[O-])o1)c1cc(Cl)ccc1Cl	252600221	DOZWCBFJFLYVHB-UHFFFAOYSA-N	328.111	3.259	50	30	EGGC	
COc1ccc(C(=O)NNC(=S)Nc2ccc(Cl)cc2C)cc1	67302	ZXBODARVKFCGDL-UHFFFAOYSA-N	349.843	3.288	50	30	EGGC	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NNC(=O)C(C)C	118824	RNRRFAYKLHJWCI-UHFFFAOYSA-N	337.832	3.189	50	30	EGGC	
Fc1ccc(-n2c(CCl)csc2=NC[C@@H]2CCCO2)cc1	885983064	JMUFTNSKAXPVBS-AWEZNQCLSA-N	326.824	3.496	50	30	EGGC	
O=C(O)c1cc(SSc2ccc(O)c(C(=O)O)c2)ccc1O	6092124	IPIOEZKHDKHTNT-UHFFFAOYSA-N	338.362	3.294	50	30	EGGC	
C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4C(O)=C(C#N)C[C@]35C)[C@H]1CC[C@@H]2O	299872518	KVJXBPDAXMEYOA-FNCHOAMVSA-N	329.440	3.467	50	30	EGGC	
Cc1ccc(C(=O)NNC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1	83953	BYCCNOCVCKSQDI-UHFFFAOYSA-N	347.418	3.477	50	30	EGGC	
N#C/C(=C\Nc1nccs1)S(=O)(=O)c1ccc(Cl)cc1	95876	CQXUWSOSZBBOIF-DHZHZOJOSA-N	325.802	3.047	50	30	EGGC	
COC(=O)c1cc(Br)c(OC)cc1CBr	575440672	JALKOCJRGQLXMI-UHFFFAOYSA-N	337.995	3.139	50	30	EGGC	
COc1ccc2c(c1)[C@]13C(=CC(=O)N1CC2)CCC[C@@H]3Br	725712390	LQNDBRBTXYVBQG-RDJZCZTQSA-N	348.240	3.163	50	30	EGGC	biogenic
COC(=O)/C(C#N)=C\c1cccn1-c1ccc(-n2nc(C)cc2C)cc1	110180	HOAYHOPXFUWRDU-VBKFSLOCSA-N	346.390	3.360	50	30	EGGC	
CCOC(=O)/C(C#N)=C/Nc1cc(C(C)(C)C)sc1C(=O)OC	80740	VNHKFAAYTCXGGC-MDZDMXLPSA-N	336.413	3.215	50	30	EGGC	
N#C/C(=C\c1ccc(N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1	173866	QRBKXMVTJKGCTL-GHRIWEEISA-N	335.363	3.496	50	30	EGGC	
O=C(N/N=C/c1cc([N+](=O)[O-])cs1)c1cc2ccccc2cc1O	982350	JBOGELPRRKTMES-CAOOACKPSA-N	341.348	3.279	50	30	EGGC	
CN(C)c1ccc(/C=N/NC(=O)CCc2ccc(O)cc2)c(Cl)c1	67453	SEZMEMNEWMAQAB-UDWIEESQSA-N	345.830	3.195	50	30	EGGC	
O=C(/C=C/c1ccccc1)NNC(=O)c1sccc1-n1cccc1	140763	XNUOIVZDOVBEIF-CMDGGOBGSA-N	337.404	3.013	50	30	EGGC	
O=C1O[C@@H](CBr)CN1c1ccc(Br)cc1	307225468	UMAUSHDSKQVKOD-VIFPVBQESA-N	334.995	3.169	50	30	EGGC	
O=C(NN=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1cccs1	254528370	NGVBDAMGXJVKGZ-UHFFFAOYSA-N	344.396	3.020	50	30	EGGC	
CCCC[C@@H](CC)COOC(=O)c1ccc(S(=O)(=O)O)cc1	100137852	SALOYNIKDOINJC-GFCCVEGCSA-N	330.402	3.238	50	30	EGGC	
ClC(Cl)C1OC(C(Cl)Cl)OC(C(Cl)Cl)O1	100067571	WHRHHWJTZCPFFS-UHFFFAOYSA-N	338.829	3.439	50	30	EGGC	
CC(C)(C)[Si](C)(C)OCCOCCOCCBr	196847835	FVKQGXGGSCBBKQ-UHFFFAOYSA-N	327.335	3.436	50	30	EGGC	
Fc1ccc(-n2c(CCl)csc2=NC[C@H]2CCCO2)cc1	885983065	JMUFTNSKAXPVBS-CQSZACIVSA-N	326.824	3.496	50	30	EGGC	
O=C1[C@@H](Br)CCCN1c1ccc(Br)cc1	70060786	DKEYXLYPWCGDJW-JTQLQIEISA-N	333.023	3.339	50	30	EGGC	
COc1ccc(C=NNC(=O)c2sccc2-n2cccc2)cc1	2265279366	HZVSKAXLZMMSFG-UHFFFAOYSA-N	325.393	3.311	50	30	EGGC	
Cc1nc(C)c(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)s1	120242	OTGZQYAWBOSFAP-UHFFFAOYSA-N	331.441	3.132	50	30	EGGC	
COC(=O)[C@@H](Br)c1ccc(F)c(Br)c1	126596226	JDZXEBKAUYNVQO-QMMMGPOBSA-N	325.959	3.197	50	30	EGGC	
CC[C@@H](C)[C@@H](C(=O)O)N(Cc1ccccc1)NC(=O)OC(C)(C)C	2379283	VOVAEVRERZBTPA-HIFRSBDPSA-N	336.432	3.428	50	30	EGGC	
Cc1csc(C(=O)NNC(=O)c2ccc(C(F)(F)F)cc2)c1	82625	XABMGRUJNLQTTK-UHFFFAOYSA-N	328.315	3.150	50	30	EGGC	
CC(=O)Oc1cc(C#N)ccc1C(Br)Br	100221598	ILKXDLDDIKREBC-UHFFFAOYSA-N	332.979	3.272	50	30	EGGC	
COc1ccc([N+](=O)[O-])c(CBr)c1CBr	100404915	XSBPFDGQOABSGC-UHFFFAOYSA-N	338.983	3.393	50	30	EGGC