利用Openbabel将SMILES转化为canonical SMILES

import org.openbabel.*;

import java.io.BufferedReader;
import java.io.File;
import java.io.FileReader;
import java.io.FileWriter;
import java.io.IOException;

public class Test{
	public Test() { 
		   System.loadLibrary("openbabel_java");
	}

	public void run() throws Exception{
		OBConversion c = new OBConversion();
		OBMol mol = new OBMol();
		String[] OriSMILES = {
			"O=C(C(C(C1([H])[H])=C(C2C(=C3[H])[H])[H])=C(C=2C(=C3[H])[H])[H])C(=O)C(=O)1",
			"ClC(=C(C(Cl)=C1[H])C(=O)C(=C(C(=C2Cl)[H])[H])C(=C2[H])[H])C(=C(C(N(N=N3)C(N([H])[H])=C3C(=O)N([H])[H])([H])[H])1)[H]",
			"O=C(N(C(=C(C(=C2[H])[H])[H])C(=C2[H])[H])C(=C1C([H])([H])[H])[H])C(=C1[H])[H]",
			"S(=O)(C(C(C(C(N=C=S)([H])[H])([H])[H])([H])[H])([H])[H])C([H])([H])[H]"
		};
		int num = OriSMILES.length;//数组中元素的个数
		String[] canSMILES