smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C(O)CCNc1ccc(NC2CCCCC2)c2c1C(=O)c1ccccc1C2=O	5117462	XYEVKYLQCGMFEH-UHFFFAOYSA-N	392.455	4.093	10	30	GICC	
Cc1ccc([C@H]2C(C(=O)c3ccccc3)=NOC23C(=O)c2ccccc2C3=O)cc1	1034759	KIZFIJFBJMWTAY-FQEVSTJZSA-N	395.414	4.166	10	30	GICC	
Cc1cc(/N=N/c2ccc3cc(S(=O)(=O)O)ccc3c2)cc(C(=O)O)c1O	38635824	TXCLQELZMLNMFZ-FMQUCBEESA-N	386.385	4.214	10	30	GICC	
CSc1ccc(Oc2cc(O)c3c(c2N)C(=O)c2ccccc2C3=O)cc1	5141451	WXOSHVARKGGGQM-UHFFFAOYSA-N	377.421	4.264	10	30	GICC	
COc1ccc(N2CCN(C(=O)c3sc(C)nc3-c3ccccc3)CC2)cc1	7850462	WQXZQTHUUMKRPK-UHFFFAOYSA-N	393.512	4.090	10	30	GICC	
CCN(CC[n+]1ccccc1)c1ccc(/N=N/c2ncc([N+](=O)[O-])s2)cc1	5316552	RGZAXFFJCHYMEV-QZQOTICOSA-N	383.457	4.281	10	30	GICC	
Nc1c(Cl)cc(Cl)c2c1C(=O)c1c(N)c(Cl)cc(Cl)c1C2=O	44712491	ADWASFABXNYXBP-UHFFFAOYSA-N	376.026	4.240	10	30	GICC	
Cc1ccc(-n2cccc2)c(NS(=O)(=O)c2ccc(-c3ccno3)s2)c1	12369351	JEKRIKVKQQSTEA-UHFFFAOYSA-N	385.470	4.303	10	30	GICC	
CC(=O)Nc1ccc(/N=N/c2ccc(N)c3ccc(S(=O)(=O)O)cc23)cc1	5138002	CJZBVSRAHQYZJI-QURGRASLSA-N	384.417	4.043	10	30	GICC	
CCN(CCOC(C)=O)c1ccc(/N=N/c2ncc([N+](=O)[O-])s2)c(C)c1	5316533	HMAJVAFLGGPIPN-VHEBQXMUSA-N	377.426	4.165	10	30	GICC	in-vitro
O=S(=O)(O)c1cc(O)c2c(/N=N/c3cc(Cl)ccc3O)c(O)ccc2c1	263584460	UDDMAYGAIGYCAT-VHEBQXMUSA-N	394.792	4.272	10	30	GICC	
O=C1/C(=C\c2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccc(F)c(F)c1	1045158	ISTMKGZXMIARJB-VGOFMYFVSA-N	378.381	4.279	10	30	GICC	
CCN(CC)CCC[C@H](C)Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O	4773562	IEVUJPGSHFHXNT-HNNXBMFYSA-N	380.488	4.090	10	30	GICC	
Nc1nc(Cl)c(/N=N/c2ccc(Cl)cc2)c(N[C@H]2C=C[C@H](CO)C2)n1	34306884	KZQMZONKDSNMSL-GMJKQPIWSA-N	379.251	4.130	10	30	GICC	in-vitro
COc1ccc(/C=C2/N=C(c3ccccc3)NN(Cc3ccccc3)C2=O)cc1	1036507	PUASMPWCCMFFNX-CJLVFECKSA-N	383.451	4.030	10	30	GICC	
COc1ccc(NC(=O)c2ccccc2)c2c1C(=O)c1c(Cl)cccc1C2=O	3875801	ZUENIEUULTXURC-UHFFFAOYSA-N	391.810	4.376	10	30	GICC	
CCN(CC)CCC[C@@H](C)Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O	5139288	IEVUJPGSHFHXNT-OAHLLOKOSA-N	380.488	4.090	10	30	GICC	
COc1ccc(/C=C2/SC(=S)N(c3ccc(F)c(F)c3)C2=O)cc1OC	1045160	JDVGKQWERNTJKU-LZYBPNLTSA-N	393.436	4.388	10	30	GICC	
COc1ccc(C=C2SC(=S)N(Cc3ccccc3)C2=O)cc1[N+](=O)[O-]	2265279522	GAXIHNQNTFGQFH-UHFFFAOYSA-N	386.454	4.005	10	30	GICC	
Nc1nc(Cl)c(/N=N/c2ccc(Cl)cc2)c(N[C@@H]2C=C[C@@H](CO)C2)n1	34306883	KZQMZONKDSNMSL-GATBCBJRSA-N	379.251	4.130	10	30	GICC	in-vitro
CCOC1=NN(c2ccccc2)C(=O)C1=CNCc1ccc(Cl)cc1Cl	2265279071	OKUYKGPYFAXZKB-UHFFFAOYSA-N	390.270	4.364	10	30	GICC	
Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=NOC23C(=O)c2ccccc2C3=O)cc1	4334796	KIZFIJFBJMWTAY-HXUWFJFHSA-N	395.414	4.166	10	30	GICC	
Nc1nc(Cl)c(/N=N/c2ccc(Cl)cc2)c(N[C@H]2C=C[C@@H](CO)C2)n1	34306882	KZQMZONKDSNMSL-XYHPPXNGSA-N	379.251	4.130	10	30	GICC	in-vitro
CCOC(=O)c1cc(-c2ccccc2)n(-c2ccc(N3CCOCC3)cc2)c1C	1046817	FCHQYDCAWWOTDJ-UHFFFAOYSA-N	390.483	4.466	10	30	GICC