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= Input = Supports multi-SMILES, SDF and MOL files, the same formats supported by Scrub. Make sure to store your chemical libraries so it can be reused. The snippet below illustrate a SMILES file with multiple SMILES separated from the molecule name by empty spaces. Cc1c(Cl)cccc1Nc1ncccc1C(=O)OC[C@H](O)CO ZINC000000000171 CN(C)CC[C@@H]1c2ccc(Cl)cc2CCc2cccnc21 ZINC000000000179 CC(C)NC[C@H]1CCc2cc(CO)c([N+](=O)[O-])cc2N1 ZINC000000000570 Cc1nc(NCc2ccccc2)c2cc[nH]c2n1 ZINC000000002036 '''Note''': Stored libraries includes the protonation state. Using such libraries means the same hydrogens are used, ignoring the specified pH.
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