Dear all,
I have a library of molecules, some of them don't have any H atom. I am wondering if there is a Smarts string to select these molecules using HasSubstructMatch function. For example, to select following molecules(no H atoms) N#C/C(C#N)=C(C(F)=C/1F)\C(F)=C(F)C1=C(C#N)\C#N FC1=C(F)C(C#N)=C(F)C(F)=C1C#N FC1=C(F)C(C#N)=C(F)C(OC(Br)(Br)Br)=C1C#N from N#C/C(C#N)=C(C(F)=C/1F)\C(F)=C(F)C1=C(C#N)\C#N N#C/C(C#C)=C(C=C/1F)\C(F)=C(F)C1=C(C#N)\C#N FC1=C(F)C(C#N)=C(F)C(OC(Br)(Br)C)=C1C#N CC1=C(F)C(C#N)=C(F)C(OC(Br)(Br)C)=C1C#N Or is there a better way to do it? Best regards, Xiaobo Li
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