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Rose-STL-Lab / MF-LAL Public

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MF-LAL

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cmet_abfe_data.txt

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5 lines (5 loc) · 348 Bytes

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MF-LAL

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cmet_abfe_data.txt

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5 lines (5 loc) · 348 Bytes

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result 2.39 CCOC(=O)C1=C(NC2=C([C@H]1c3ccccc3[N+](=O)[O-])C(=O)CC(C2)(C)C)C

result -6.69 CCOc1c(ccc(c1[N+](=O)[O-])/C=C/2\C(=NN(C2=O)c3cccc(c3)C)C)O

result -7.07 c1ccc2c(c1)CN3c4ccccc4C(=O)NC3=C2C(=O)c5ccc(cc5)[N+](=O)[O-]

result -4.62 Cc1cccc(c1)n2c(c3c(n2)CSC3)NC(=O)c4ccccc4[N+](=O)[O-]

result 1.53 Cc1ccc2c(c1NC(=O)c3cc(ccc3Br)[N+](=O)[O-])nsn2

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