Added 1 molecules from epoch 18736 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
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@@ -44,3 +44,4 @@ rxn:5:194507:226201:228967,CC(C)n1cc2cc(-c3cc(-c4cn(C)nc4C(F)F)cc4c3ccn4S(=O)(=O
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| 44 |
rxn:3:44520:544:88939,CCC(C)C(C)CNC(=O)c1cc(C#CCCn2cc(-c3cc(F)ccc3C#N)nn2)ccn1,JCVJIFOPHXASDW-UHFFFAOYSA-N
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| 45 |
rxn:3:50672:39010:68828,Cc1cncc(-c2cn(CC3C(c4cc(F)ccc4C(=O)Nc4cccc(Oc5ccsc5)c4)C3(F)F)nn2)n1,VLZVUVQSZOWJOQ-UHFFFAOYSA-N
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| 46 |
rxn:3:56439:27843:113648,Cc1ccc2nc(-c3cn(CC4CC4c4cc(F)ccc4CC(=O)NCC(C)CC#CC(C)(C)C)nn3)ccc2c1,ZOQXDHJQKCKQJB-UHFFFAOYSA-N
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| 44 |
rxn:3:44520:544:88939,CCC(C)C(C)CNC(=O)c1cc(C#CCCn2cc(-c3cc(F)ccc3C#N)nn2)ccn1,JCVJIFOPHXASDW-UHFFFAOYSA-N
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| 45 |
rxn:3:50672:39010:68828,Cc1cncc(-c2cn(CC3C(c4cc(F)ccc4C(=O)Nc4cccc(Oc5ccsc5)c4)C3(F)F)nn2)n1,VLZVUVQSZOWJOQ-UHFFFAOYSA-N
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| 46 |
rxn:3:56439:27843:113648,Cc1ccc2nc(-c3cn(CC4CC4c4cc(F)ccc4CC(=O)NCC(C)CC#CC(C)(C)C)nn3)ccc2c1,ZOQXDHJQKCKQJB-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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