Added 1 molecules from epoch 18782 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
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@@ -86,3 +86,4 @@ rxn:5:192174:228737:227656,COc1ccc(-c2cnc(OC(C)C)c(-c3cc(N4CCOCC4)cs3)c2)c(C)n1,
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| 86 |
rxn:2:132807:163861,Cc1ccc(C(NC2CCc3c(-c4cccc(C)c4)cccc32)c2cccs2)cc1,HVKOVDXZNLBIGC-UHFFFAOYSA-N
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| 87 |
rxn:4:209319:225243,Cc1cc(-c2ccccc2-c2cccnc2-c2ccc(F)c(F)c2)[nH]n1,IJLVPPZTRBSCJX-UHFFFAOYSA-N
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| 88 |
rxn:3:63255:17601:87454,CCC(NC(=O)c1ccc(OC)cc1N1CC(Cn2cc(-c3cc(C4CC4)n(C)n3)nn2)CC1=O)c1cc(C)ccc1C,JUDQORIJHCJPEG-UHFFFAOYSA-N
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| 86 |
rxn:2:132807:163861,Cc1ccc(C(NC2CCc3c(-c4cccc(C)c4)cccc32)c2cccs2)cc1,HVKOVDXZNLBIGC-UHFFFAOYSA-N
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| 87 |
rxn:4:209319:225243,Cc1cc(-c2ccccc2-c2cccnc2-c2ccc(F)c(F)c2)[nH]n1,IJLVPPZTRBSCJX-UHFFFAOYSA-N
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| 88 |
rxn:3:63255:17601:87454,CCC(NC(=O)c1ccc(OC)cc1N1CC(Cn2cc(-c3cc(C4CC4)n(C)n3)nn2)CC1=O)c1cc(C)ccc1C,JUDQORIJHCJPEG-UHFFFAOYSA-N
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| 89 |
+
rxn:3:46053:2541:87355,O=C(Nc1ccccc1OC1CCCCCC1)c1cncc(C=CCCn2cc(-c3cccc(C(F)(F)F)n3)nn2)c1,DDHWLLGERMGLMR-UHFFFAOYSA-N
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