atomprop.smiles

A program to find frequent molecular substructures and discriminative fragments in a database of mol

a,0,O-C-c1:c:c:c:c:c:1
b,0,[O-]-C-c1:c:c:c:c:c:1
c,0,[O+]-C-C1-C-C-C-C-C-1
d,0,O-C-C