File: smi_isomorphism_015.sh

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#!/bin/bash

echo -e "XXXXXXX\tC(CCCCCCCCCCCCC)N=C(C=1C(C(=O)O)=CC(C(=O)O)=C(C(O)=NCCCCCCCCCCCCCC)C1)O\tCCCCCCCCCCCCCCN1C(=O)c2c(C1=O)cc1c(c2)C(=O)N(C1=O)CCCCCCCCCCCCCC" \
    | smi_isomorphism