SMILES strings for resynthesized and newly designed pteridine compounds

Compound SMILES of resynthesized or newly designed pteridine compounds 1b, 1c, 2a-e, 3a-e, 4a-j and 5a-f used for ligand preparation within Maestro (Schrödinger, LLC, New York, NY, Schrödinger Release 2015-4, 2015, Maestro.). SMILES strings and compound identifiers are comma-separated and can be readily imported in Maestro.

用于Maestro（Schrödinger, LLC, 纽约市，纽约州，Schrödinger版本2015-4，2015年发布）中配体制备的重组或新设计嘧啶化合物1b, 1c, 2a-e, 3a-e, 4a-j和5a-f的复合SMILES字符串及其化合物标识符，以逗号分隔，可方便导入Maestro。