File: smi_isomorphism_012.sh

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#!/bin/bash

echo -e "XXXXXXX\tC12C(NC(C(CCC1)C2)=O)=O\tN1C(=O)[C@@H]2C[C@H](C1=O)CCC2.N1C(=O)[C@H]2C[C@@H](C1=O)CCC2" \
    | smi_isomorphism