Added 1 molecules from epoch 18834 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
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@@ -133,3 +133,4 @@ rxn:3:51424:1881:94173,CC(C)C(CNC(=O)c1cc(C2C(Cn3cc(-c4cnc5scnc5c4)nn3)C2(F)F)cc
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| 133 |
rxn:1:45768:28894,CC(=O)NCC1CC1c1cccc(-c2cn(CCC=Cc3cccc(CO)n3)nn2)c1,VOEUTSKYDVMYGJ-UHFFFAOYSA-N
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| 134 |
rxn:1:58060:3705,CC1(C)CN(CCCc2cn(CCCc3cccc4c3NC(=O)C4)nn2)CCS1,HVMXFMTWSBGAEG-UHFFFAOYSA-N
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| 135 |
rxn:1:57619:33435,Cc1nscc1C(=O)Nc1cncc(-c2cn(CCCN3CCCCC3=O)nn2)c1,XXAYNNOJCYVXOA-UHFFFAOYSA-N
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| 133 |
rxn:1:45768:28894,CC(=O)NCC1CC1c1cccc(-c2cn(CCC=Cc3cccc(CO)n3)nn2)c1,VOEUTSKYDVMYGJ-UHFFFAOYSA-N
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| 134 |
rxn:1:58060:3705,CC1(C)CN(CCCc2cn(CCCc3cccc4c3NC(=O)C4)nn2)CCS1,HVMXFMTWSBGAEG-UHFFFAOYSA-N
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| 135 |
rxn:1:57619:33435,Cc1nscc1C(=O)Nc1cncc(-c2cn(CCCN3CCCCC3=O)nn2)c1,XXAYNNOJCYVXOA-UHFFFAOYSA-N
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| 136 |
+
rxn:1:63997:38405,CC(O)(Cc1cn(CC2CC(=O)N(CC3(N4CCOCC4)CCCCC3)C2)nn1)c1cccc(Br)c1,DVEWPIDJZYRFKU-UHFFFAOYSA-N
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