Added 1 molecules from epoch 18647 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
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@@ -3,3 +3,4 @@ rxn:4:177876:225468,COc1cccc(C(=O)c2ccccc2-c2ccc(-c3ccccc3C)nc2)c1,DAYOIJFVNPKMJ
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rxn:2:145515:130413,CCCC(NCC(C)CN(C)c1ccc2[nH]c(=O)oc2c1)c1ccc(C)s1,BSEIOPVNNFIZIX-UHFFFAOYSA-N
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| 4 |
rxn:2:132195:172181,COc1cc(C)cc(-c2cccc(C(C)NC(C)Cc3cccc(OC4CCCCC4)c3)c2C)c1,YDPANEFCYMHICR-UHFFFAOYSA-N
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| 5 |
rxn:4:177079:224885,CC1CCN(Cc2ccccc2-c2ccc(C(F)(F)F)c(OC3CC3)c2)CC1,SXXRVKWRXLRMED-UHFFFAOYSA-N
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| 3 |
rxn:2:145515:130413,CCCC(NCC(C)CN(C)c1ccc2[nH]c(=O)oc2c1)c1ccc(C)s1,BSEIOPVNNFIZIX-UHFFFAOYSA-N
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| 4 |
rxn:2:132195:172181,COc1cc(C)cc(-c2cccc(C(C)NC(C)Cc3cccc(OC4CCCCC4)c3)c2C)c1,YDPANEFCYMHICR-UHFFFAOYSA-N
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| 5 |
rxn:4:177079:224885,CC1CCN(Cc2ccccc2-c2ccc(C(F)(F)F)c(OC3CC3)c2)CC1,SXXRVKWRXLRMED-UHFFFAOYSA-N
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+
rxn:2:85745:96467,CCc1ccc(C(CC(C)Nc2ccc(Sc3nc(C)cs3)cc2)N(C)C)cc1,ZIFYDTCRQHRZFU-UHFFFAOYSA-N
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