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demodiff_downstream

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liuganghuggingface commited on
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074ae48
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Upload polymer_CO2_N2/medium.csv

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  1. polymer_CO2_N2/medium.csv +9 -0
polymer_CO2_N2/medium.csv ADDED
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+ smiles,score
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+ *Oc1cc2c(cc1O*)C1(c3cc(C)c(C)cc3-2)c2cc(C)c(C)cc2-c2cc3c(cc21)Oc1c(C#N)c(*)c(*)c(C#N)c1O3,0.6306655971251256
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+ *Oc1cc2c(cc1O*)C1(c3ccccc3-c3cc4c(cc31)Oc1c(C#N)c(*)c(*)c(C#N)c1O4)c1cc(C)c(C)cc1-2,0.6192443376918673
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+ *Oc1cc2c(cc1O*)C1(c3cc(C)ccc3-2)c2cc(C)ccc2-c2cc3c(cc21)Oc1c(C#N)c(*)c(*)c(C#N)c1O3,0.6172138915467535
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+ *Oc1cc2c(cc1O*)C1(c3ccccc3-2)c2ccccc2-c2cc3c(cc21)Oc1c(C#N)c(*)c(*)c(C#N)c1O3,0.5794689064820975
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+ *Oc1cc2c(cc1O*)C1(c3cc(C(C)(C)C)ccc3-2)c2cc(C(C)(C)C)ccc2-c2cc3c(cc21)Oc1c(C#N)c(*)c(*)c(C#N)c1O3,0.5428501389614488
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+ *N=P(*)(OCCOCCOC)OCCOCCOC,0.5327466644231211
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+ *Oc1cc2c(cc1O*)C1(CC2(C)C)CC(C)(C)c2cc3c(cc21)Oc1c(C#N)c(*)c(*)c(C#N)c1O3,0.5193976119540327
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+ *Oc1cc2c(cc1O*)C1(CC2(C)C)CC(C)(C)c2cc3oc4cc5c(=O)n(C(N6C(=O)c7cc(*)c(*)cc7C6=O)(C(F)(F)F)C(F)(F)F)c(=O)c5cc4oc3cc21,0.5062229566367904