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rppb.csv
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Internal ID,SMILES,
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Mol1,CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nn2c(C(=O)N[C@@H]3C[C@@H]3F)cnc12,0.51851394
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Mol2,CCOc1cc2nn(CCC(C)(C)O)cc2cc1NC(=O)c1cccc(C(F)F)n1,0.268343914
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Mol3,CN(c1ncc(F)cn1)[C@H]1CCCNC1,2.0
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Internal ID,SMILES,log rPPB
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Mol1,CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nn2c(C(=O)N[C@@H]3C[C@@H]3F)cnc12,0.51851394
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Mol2,CCOc1cc2nn(CCC(C)(C)O)cc2cc1NC(=O)c1cccc(C(F)F)n1,0.268343914
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Mol3,CN(c1ncc(F)cn1)[C@H]1CCCNC1,2.0
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