Added 1 molecules from epoch 18739 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
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@@ -47,3 +47,4 @@ rxn:3:56439:27843:113648,Cc1ccc2nc(-c3cn(CC4CC4c4cc(F)ccc4CC(=O)NCC(C)CC#CC(C)(C
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| 47 |
rxn:1:40271:16779,CCSc1cccc(C=CCn2cc(-c3cnn(CC(F)(F)F)c3C)nn2)c1,MCRUOFIXYHQWSW-UHFFFAOYSA-N
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| 48 |
rxn:3:45855:32167:148883,COc1ccc2c(NC(=O)c3ccccc3C=CCCn3cc(-c4cnnn4C(F)F)nn3)cc3ccccc3c2c1,DXNZAYSSJZTMAI-UHFFFAOYSA-N
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| 49 |
rxn:4:214948:223183,CCOC(=O)c1nnc2ccc(-c3ccc(S(=O)(=O)NC)cc3C)cn12,ZLPOFOYLEUQGHR-UHFFFAOYSA-N
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| 47 |
rxn:1:40271:16779,CCSc1cccc(C=CCn2cc(-c3cnn(CC(F)(F)F)c3C)nn2)c1,MCRUOFIXYHQWSW-UHFFFAOYSA-N
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| 48 |
rxn:3:45855:32167:148883,COc1ccc2c(NC(=O)c3ccccc3C=CCCn3cc(-c4cnnn4C(F)F)nn3)cc3ccccc3c2c1,DXNZAYSSJZTMAI-UHFFFAOYSA-N
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| 49 |
rxn:4:214948:223183,CCOC(=O)c1nnc2ccc(-c3ccc(S(=O)(=O)NC)cc3C)cn12,ZLPOFOYLEUQGHR-UHFFFAOYSA-N
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| 50 |
+
rxn:4:216391:223869,CCOc1ccc(-c2cnc(C#N)nc2Cl)cc1OCc1ccccc1,NNKYTRCTCIUFDG-UHFFFAOYSA-N
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