smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(C)=S	8626832	DAYGLJPGVDBGMI-YYIAUSFCSA-N	420.436	0.666	10	30	HCCC	
CNCCNc1ccc2c3c(nn2CCNCCO)-c2c(O)ccc(O)c2C(=O)c13	28757816	XASBSYHEEHVCSJ-UHFFFAOYSA-N	411.462	0.872	10	30	HCCC	in-man
Nc1ccc(O[P@@](=O)(O)OC[C@H]2O[C@@H](n3cc(F)c(=O)[nH]c3=O)C[C@@H]2O)cc1	13514772	PXZLZKCYKJOBQJ-YNEHKIRRSA-N	417.286	0.102	10	30	HCCC	
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)([C@@H](O)CO)CC3	6019149	IGJIPNOEJDYNRR-YEJXKQKISA-N	400.383	0.455	10	30	HCCC	in-vitro
CC(=O)OC[C@H]1O[C@@H](OCCN=[N+]=[N-])[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	221151649	DPAXDKFCBLGMIZ-DGXTUMSLSA-N	417.371	0.396	10	30	HCCC	
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)([C@H](O)CO)CC3	22055692	IGJIPNOEJDYNRR-LRTDBIEQSA-N	400.383	0.455	10	30	HCCC	in-vitro
CC(=O)OC[C@H]1O[C@H](OCCN=[N+]=[N-])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	2265362084	DPAXDKFCBLGMIZ-LJIZCISZSA-N	417.371	0.396	10	30	HCCC	
CC(=O)OC[C@@H]1O[C@@H](OCCN=[N+]=[N-])[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	221151703	DPAXDKFCBLGMIZ-CQJMVSDSSA-N	417.371	0.396	10	30	HCCC	
O=C1c2cc(S(=O)(=O)O)cc(O)c2C(=O)c2c1ccc(S(=O)(=O)O)c2O	199877503	CSTXGNOKHCHBHO-UHFFFAOYSA-N	400.342	0.367	10	30	HCCC