File: smi_canonicalise_030.inp

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smiles-scripts 0.3.0%2Bsvn878%2Bbranch%2Bsystem%2Bdeps-2
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CC[C@@H]1CC[C@]2(CC1)OO[C@@]3(CC[C@@]4(C)[C@H](C[C@@H](OC(=O)C)[C@H]5[C@@H]6CC[C@H]([C@H](C)CCC(=O)OC)[C@@]6(C)CC[C@H]45)C3)OO2	CHEMBL1213498
CC[C@@H]1CC[C@@]2(CC1)OO[C@]3(CC[C@@]4(C)[C@H](C[C@@H](OC(=O)C)[C@H]5[C@@H]6CC[C@H]([C@H](C)CCC(=O)OC)[C@@]6(C)CC[C@H]45)C3)OO2	CHEMBL1213499
CC[C@@H]1CC[C@]2(CC1)OO[C@]3(CC[C@@]4(C)[C@H](C[C@@H](OC(=O)C)[C@H]5[C@@H]6CC[C@H]([C@H](C)CCC(=O)OC)[C@@]6(C)CC[C@H]45)C3)OO2	CHEMBL1213498-@/@
CC[C@@H]1CC[C@@]2(CC1)OO[C@@]3(CC[C@@]4(C)[C@H](C[C@@H](OC(=O)C)[C@H]5[C@@H]6CC[C@H]([C@H](C)CCC(=O)OC)[C@@]6(C)CC[C@H]45)C3)OO2	CHEMBL1213498-@@/@@