smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C1c2ccccc2C(=O)c2c(NCCCO)ccc(NCCCO)c21	5117465	LUYYUZYWBTWOFO-UHFFFAOYSA-N	354.406	2.051	10	30	FECC	
CN(C)c1ccc([C@@H](O)c2ccc(N(C)C)cc2S(=O)(=O)O)cc1	200032762	HCYSODXMMHWOES-QGZVFWFLSA-N	350.440	2.147	10	30	FECC	
O=C(O)c1cc(/N=[N+](\[O-])c2cc(C(=O)O)cc(C(=O)O)c2)cc(C(=O)O)c1	196496734	DIYNLQMYZOPFGP-ZCXUNETKSA-N	374.261	2.405	10	30	FECC	
Cc1cc(N=Nc2ccccc2)c(NC[C@H](O)[C@H](O)[C@H](O)CO)cc1C	253982912	NARUXRZZSJCXFJ-OTWHNJEPSA-N	359.426	2.206	10	30	FECC	
O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(OP(=O)(O)O)c12	96328334	MDQJBKABMRRRON-UHFFFAOYSA-N	350.219	2.343	10	30	FECC	
CN1CCN(c2ccc(CNS(=O)(=O)c3cccc(F)c3)cc2)CC1	4362636	IKZAUHGPXSRQRY-UHFFFAOYSA-N	363.458	2.056	10	30	FECC	
CN1/C(=C2/SC(=S)N(CC(=O)O)C2=O)N(C)c2cc(Cl)ccc21	111896280	OFJGGNFWLYDYSG-QXMHVHEDSA-N	369.855	2.340	10	30	FECC	
COc1ccc([N+](=O)[O-])c2c1C(=O)c1c([N+](=O)[O-])ccc(OC)c1C2=O	142984538	UKYHPHKDJDQTAH-UHFFFAOYSA-N	358.262	2.296	10	30	FECC	
Cc1cc(=O)oc2cc(NS(=O)(=O)c3cccc4nonc34)ccc12	4332792	QVRGYIAOHSYZTL-UHFFFAOYSA-N	357.347	2.438	10	30	FECC	
O=C(NCC1CC1)c1ccccc1NS(=O)(=O)c1cccc2nonc12	4297069	JTVWEKZBBNJNIU-UHFFFAOYSA-N	372.406	2.163	10	30	FECC	
O=C(NC1(O)C(=O)c2ccccc2C1=O)c1c(Cl)cccc1Cl	1029980	AFVBNYYWHQHUGU-UHFFFAOYSA-N	350.157	2.491	10	30	FECC	
CCOC(=O)C12CC(CN=[N+]=[N-])(C1)OC21CN(C(=O)OC(C)(C)C)C1	1536220185	WOPDCHBSWAHGTF-UHFFFAOYSA-N	352.391	2.399	10	30	FECC	
CCOc1ccc(C=C2SC(=S)N(N3C(=O)[C@H]4C[C@@H]4C3=O)C2=O)cc1	2265279740	IHVWRDOPZQJCKF-RYUDHWBXSA-N	374.443	2.206	10	30	FECC	
Cc1ccccc1S(=O)(=O)NCc1ccc(N2CCN(C)CC2)cc1	4362622	HKHDOOSYMGOTMH-UHFFFAOYSA-N	359.495	2.225	10	30	FECC	
CCOc1ccc(C=C2SC(=S)N(N3C(=O)[C@H]4C[C@H]4C3=O)C2=O)cc1	2265279741	IHVWRDOPZQJCKF-TXEJJXNPSA-N	374.443	2.206	10	30	FECC	
CN1CCN(c2ccc(CNC(=O)c3ccc4nsnc4c3)cc2)CC1	4362582	WYSJXHWVMSBVKH-UHFFFAOYSA-N	367.478	2.373	10	30	FECC	
COc1ccccc1OS(=O)(=O)c1cccc2c1C=CC(=[N+]=[N-])C2=O	238790067	QAILIPQASZHXES-UHFFFAOYSA-N	356.359	2.343	10	30	FECC	
COCCOCCCNc1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O	34224896	ZSFWKWLNASMXLT-UHFFFAOYSA-N	371.389	2.338	10	30	FECC	
COc1cc(/C=C2\N=C(c3ccccc3)NNC2=O)cc(OC)c1OC	1036611	IWYCQSWIWAOVSC-ZROIWOOFSA-N	353.378	2.135	10	30	FECC	
CCc1ccc(S(=O)(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1	4362625	LHSXGUFTSODHOR-UHFFFAOYSA-N	373.522	2.479	10	30	FECC	
C[C@H]1CC(=O)Nc2ccccc2N1S(=O)(=O)c1cccc2nonc12	1034170	CSDMHGPJVXBJIH-JTQLQIEISA-N	358.379	2.149	10	30	FECC	
Nc1c2ccccc2nc2c(C(=O)NCCN3CCOCC3)cccc12	6117624	CUJXCTHCYRNLIF-UHFFFAOYSA-N	350.422	2.032	10	30	FECC	in-vitro
O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(F)cc2c1OCOC2	1034932	ZELHNXHYZWPHCS-UHFFFAOYSA-N	372.396	2.459	10	30	FECC	
Cc1nn(C)c(O[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2N=[N+]=[N-])c1C=O	536555961	WYYZWCUEOVGYOX-VXGBXAGGSA-N	350.379	2.218	10	30	FECC	
CN(C)c1ccc([C@H](O)c2ccc(N(C)C)cc2S(=O)(=O)O)cc1	200032732	HCYSODXMMHWOES-KRWDZBQOSA-N	350.440	2.147	10	30	FECC	
O=C1NC(=O)C(=CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)N1	1033129	LTNQNOIUXJYFQV-UHFFFAOYSA-N	367.205	2.386	10	30	FECC	
Cc1ccc(S(=O)(=O)C(=[N+]=[N-])S(=O)(=O)c2ccc(C)cc2)cc1	82036249	GYQQFWWMZYBCIB-UHFFFAOYSA-N	350.421	2.137	10	30	FECC	
CC(=O)Oc1ccc(OC(C)=O)c2c1C(=O)c1ccc(C(=O)O)cc1C2=O	27978241	UWXHKFHGFVTJRJ-UHFFFAOYSA-N	368.297	2.011	10	30	FECC	
C[C@@H]1CC(=O)Nc2ccccc2N1S(=O)(=O)c1cccc2nonc12	1034171	CSDMHGPJVXBJIH-SNVBAGLBSA-N	358.379	2.149	10	30	FECC	
CN1CCN(c2ccc(CNC(=O)c3cccc4nsnc34)cc2)CC1	12340964	ICQAEJJWXHAFNI-UHFFFAOYSA-N	367.478	2.373	10	30	FECC	
Nc1ccc(O)c2c1C(=O)c1c(O)c(-c3ccc(O)cc3)cc(N)c1C2=O	5420915	MOLVDYADKVCUCB-UHFFFAOYSA-N	362.341	2.410	10	30	FECC	
Cc1nn(C)c(O[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2N=[N+]=[N-])c1C=O	536555960	WYYZWCUEOVGYOX-NEPJUHHUSA-N	350.379	2.218	10	30	FECC	
CCOc1ccc(C=C2SC(=S)N(N3C(=O)[C@@H]4C[C@H]4C3=O)C2=O)cc1	2265279742	IHVWRDOPZQJCKF-VXGBXAGGSA-N	374.443	2.206	10	30	FECC