smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C(NNC(=O)C(Cl)(Cl)Cl)c1nc(-c2cccc(-n3cccc3)c2)no1	1047376	ICZQESYCCNSUTF-UHFFFAOYSA-N	414.636	2.659	50	30	HFGC	
Cc1ccc(S(=O)(=O)NNC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc1	1027021	XOSYPCNONMHBTF-UHFFFAOYSA-N	424.404	2.823	50	30	HFGC	
Cc1noc(C)c1-c1nc(COc2ccc(/C=C(/C#N)S(C)(=O)=O)cc2)no1	12369034	WYDLBKDJPVRYIT-NVNXTCNLSA-N	400.416	2.830	50	30	HFGC	
CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1	3171239	DMICVFMPYSSMOJ-UHFFFAOYSA-N	400.460	2.842	50	30	HFGC	
CCCC[C@H](CC)C(CC)(CC)OC(=O)C[C@](O)(CC(=O)O)C(=O)OC(C)=O	100058978	ALMVWIZMWHHASZ-HNAYVOBHSA-N	402.484	2.990	50	30	HFGC	
NNC(=O)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21	299754708	JDOMDFRRHSMVGB-UHFFFAOYSA-N	405.366	2.661	50	30	HFGC	
CC(C)C[C@@H](NC(=O)Cc1ccsc1)C(=O)NNC(=O)c1ccccc1Cl	2149125	HXLNGESEPLEDEG-MRXNPFEDSA-N	407.923	2.936	50	30	HFGC	
COc1c(Br)csc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	1027154	CGVLUMLXBLIYNK-UHFFFAOYSA-N	400.210	2.502	50	30	HFGC	
CCCC[C@@H](CC)C(CC)(CC)OC(=O)C[C@](O)(CC(=O)O)C(=O)OC(C)=O	100058974	ALMVWIZMWHHASZ-DNVCBOLYSA-N	402.484	2.990	50	30	HFGC	
COc1cc(CCC(=O)NNC(=S)Nc2ccc(F)cc2)cc(OC)c1OC	1036262	OBTHFAHBFZEWSW-UHFFFAOYSA-N	407.467	2.802	50	30	HFGC	
O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NNC(=O)c1cccc([N+](=O)[O-])c1	1033214	ZLEKOAZWYVQZDD-UHFFFAOYSA-N	415.793	2.692	50	30	HFGC	
Cc1cc(C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)no1	1047343	QXFHDYYQNXDGPH-PJQLUOCWSA-N	403.030	2.978	50	30	HFGC	
CS/C(=N/S(=O)(=O)c1c(C)noc1C)NNC(=O)Nc1ccc(Cl)cc1	13464706	WLIWNCUPXBJRPA-UHFFFAOYSA-N	417.900	2.679	50	30	HFGC	
Cc1ccc(OCC(=O)NNS(=O)(=O)c2ccc(C(C)C)cc2)c2c1CCC2	1043199	XXPVRIDHRFWURM-UHFFFAOYSA-N	402.516	2.996	50	30	HFGC	
Cc1csc(Cn2nc(CC(=O)N/N=C/c3ccccc3)c3ccccc3c2=O)n1	1039224	KFIJFZHEMIDUOS-FSJBWODESA-N	417.494	2.903	50	30	HFGC	
O=C(CS(=O)(=O)c1ccc(C(F)(F)F)cn1)N/N=C\c1ccc(Cl)cc1	33381096	ZIGIRHSQPYBZSX-YXSASFKJSA-N	405.785	2.678	50	30	HFGC	
Cn1c(Cc2ccsc2)nnc1SCC(=O)NNC(=O)c1ccc(Cl)cc1	1047553	DLAYRGAVKOOVIP-UHFFFAOYSA-N	421.935	2.674	50	30	HFGC	
Cc1ccc(C=NNC(=O)C(=CNc2nccc(C)n2)NC(=O)c2ccccc2)cc1	2265276519	SCYWEYFTRDVNBQ-UHFFFAOYSA-N	414.469	2.927	50	30	HFGC	
CCCC[C@@H](CC)C(CC)(CC)OC(=O)C[C@@](O)(CC(=O)O)C(=O)OC(C)=O	100058971	ALMVWIZMWHHASZ-BEFAXECRSA-N	402.484	2.990	50	30	HFGC	
OB(O)c1ccc2c(c1)nnn2C(c1ccccc1)(c1ccccc1)c1ccccc1	204425070	UAIFQDYVIWPXDG-UHFFFAOYSA-N	405.266	2.951	50	30	HFGC	
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=S)C[C@H]1CCCO1	4394961	ZIMKJMCZXVTRKB-CVEARBPZSA-N	407.536	2.640	50	30	HFGC	
CC(C)C[C@H](NC(=O)Cc1ccsc1)C(=O)NNC(=O)c1ccccc1Cl	2149124	HXLNGESEPLEDEG-INIZCTEOSA-N	407.923	2.936	50	30	HFGC	
O=C(CN1C(=O)CSc2ccc(C(F)(F)F)cc21)NNC(=O)c1ccccc1	1039768	QFSJDFAFCBMFMN-UHFFFAOYSA-N	409.389	2.605	50	30	HFGC	
Cc1ccnc(NC=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccccc2)n1	2265276517	RPQDJPXIUKRJJD-UHFFFAOYSA-N	400.442	2.619	50	30	HFGC	
Cn1c(SCC(=O)NNC(=O)c2cccc3ccccc23)nnc1-c1ccco1	1032676	BCCQIJJHLDZOMZ-UHFFFAOYSA-N	407.455	2.782	50	30	HFGC	
Cc1nc(-c2noc(C(=O)NNC(=O)Nc3cccc(C(F)(F)F)c3)n2)cs1	2151217	CDCLSHWJQQMLDA-UHFFFAOYSA-N	412.353	2.987	50	30	HFGC	
C=CCN(C[Si](OCC)(OCC)OCC)C[Si](OCC)(OCC)OCC	195751524	JKIXQFFUDBSKMM-UHFFFAOYSA-N	409.672	2.650	50	30	HFGC	
Cc1ccc(C)n1-c1ccc(C(=O)NNS(=O)(=O)c2ccc(F)cc2F)cc1	1043410	BKCFHHJEVJIRKT-UHFFFAOYSA-N	405.426	2.996	50	30	HFGC	
Cc1ccc(OCC(=O)NNC(=O)NC(=O)c2ccccc2Cl)c2c1CCC2	3078834	JPBQSWNLSZDIFD-UHFFFAOYSA-N	401.850	2.687	50	30	HFGC	
COC(=O)C/C(=N\NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)OC	8626539	KJEXNKQYAOTSCE-LSHDLFTRSA-N	414.258	2.546	50	30	HFGC	
CCCC[C@H](CC)C(CC)(CC)OC(=O)C[C@@](O)(CC(=O)O)C(=O)OC(C)=O	100058972	ALMVWIZMWHHASZ-KXBFYZLASA-N	402.484	2.990	50	30	HFGC	
COc1cc(NC(=S)NNC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)cc1Cl	1027839	UPGTXXHHHNSDIP-UHFFFAOYSA-N	410.839	2.897	50	30	HFGC	
COc1ncc(C(=O)NNC(=S)Nc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-]	3138695	KRSBPARTHJOUQF-UHFFFAOYSA-N	415.353	2.649	50	30	HFGC	
CCOC(CC(=O)NNC(=O)c1c(-c2c(F)cccc2Cl)noc1C)OCC	3127535	OGIVSHAIADBLOE-UHFFFAOYSA-N	413.833	2.993	50	30	HFGC	
CSc1nc(N/C=C(\C#N)S(=O)(=O)c2ccccc2Cl)nc(N(C)C)n1	3046716	ZJUODEFZQSZWNZ-MDZDMXLPSA-N	410.912	2.564	50	30	HFGC	
Cc1cc(C(=O)NNS(=O)(=O)c2ccccc2C(F)(F)F)nn1C(C)(C)C	1028347	RYVXROVWNHNZLS-UHFFFAOYSA-N	404.414	2.589	50	30	HFGC	
CN(C)c1ccc(C(=O)NNC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1	1036239	BFKGRJZABCORPX-UHFFFAOYSA-N	413.865	2.850	50	30	HFGC	
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=S)C[C@@H]1CCCO1	4394960	ZIMKJMCZXVTRKB-HOTGVXAUSA-N	407.536	2.640	50	30	HFGC	
Cc1ccc(S(=O)(=O)NNC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1	1036240	NQYALMJTFKBEEQ-UHFFFAOYSA-N	420.878	2.641	50	30	HFGC	
CC(C)c1ccc(S(=O)(=O)NNC(=O)CSc2nc3cccnc3s2)cc1	6023440	YPAXHAOIELTIOB-UHFFFAOYSA-N	422.557	2.917	50	30	HFGC	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NN=Cc3ccc(F)cc3)CC2)cc1	254311766	LXVUXDHPRLRXNE-UHFFFAOYSA-N	403.479	2.685	50	30	HFGC	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NNc1ccc(S(N)(=O)=O)cc1	1032553	JGSKDNUALKECLG-UHFFFAOYSA-N	424.841	2.847	50	30	HFGC	
COc1ccc(SCCC(=O)NNS(=O)(=O)c2cccc(Cl)c2)cc1	4325209	VYYAVAQGUVTEAZ-UHFFFAOYSA-N	400.909	2.841	50	30	HFGC	
Cc1ccc(S(=O)(=O)NNC(=O)COc2ccc(SC(F)(F)F)cc2)cc1	1025071	XZMKDUXKPGFPBS-UHFFFAOYSA-N	420.434	2.995	50	30	HFGC