Added 1 molecules from epoch 18745 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
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@@ -53,3 +53,4 @@ rxn:3:44731:15566:82253,Cc1c(C#CCCn2cc(Cn3cc(C#N)c(CC4CCC4)n3)nn2)cccc1C(=O)NCC1
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| 53 |
rxn:1:51480:21146,COc1ccc(C(C)n2nc(C3CCCCC3)cc2-c2cn(CC3C(c4cccc5c4oc4ccccc45)C3(F)F)nn2)cc1F,FWNSIXGZUUAYLO-UHFFFAOYSA-N
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| 54 |
rxn:5:181959:226192:228663,Cc1ccccc1-c1csc(-c2ccc(-c3cccc(-c4nc5ccccc5s4)c3C)cc2)c1,FQYFIWULAAOEEC-UHFFFAOYSA-N
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| 55 |
rxn:4:211954:222684,Cc1n[nH]c2cccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)c12,DKESUFQNZIKWBY-UHFFFAOYSA-N
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| 53 |
rxn:1:51480:21146,COc1ccc(C(C)n2nc(C3CCCCC3)cc2-c2cn(CC3C(c4cccc5c4oc4ccccc45)C3(F)F)nn2)cc1F,FWNSIXGZUUAYLO-UHFFFAOYSA-N
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| 54 |
rxn:5:181959:226192:228663,Cc1ccccc1-c1csc(-c2ccc(-c3cccc(-c4nc5ccccc5s4)c3C)cc2)c1,FQYFIWULAAOEEC-UHFFFAOYSA-N
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| 55 |
rxn:4:211954:222684,Cc1n[nH]c2cccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)c12,DKESUFQNZIKWBY-UHFFFAOYSA-N
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| 56 |
+
rxn:5:198280:227528:229201,COC(=O)c1ccc(-c2cc(-c3ccccc3C)cnc2C)cc1F,RRFVXASCVGTREH-UHFFFAOYSA-N
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