Added 1 molecules from epoch 18806 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
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@@ -108,3 +108,4 @@ rxn:1:51962:15493,N#Cc1ccc(C2CC2CCn2cc(-c3cn(-c4ccccc4)nc3C3CCCC3)nn2)cn1,UDIIKF
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| 108 |
rxn:2:90658:153992,Cc1ccc(-c2ccccc2C(C)NC(C)Cc2nc(CC3CCCO3)no2)cc1,ZQAYGXKGTMEPPP-UHFFFAOYSA-N
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| 109 |
rxn:2:76850:160312,FC(F)(c1ccc2c(c1)C(N[C@H]1CC[C@H](c3nc4ccccc4o3)CC1)c1ccccc1-2)c1nnn[nH]1,ZNRWLDGRKMUGBT-AYJVVXMVSA-N
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| 110 |
rxn:2:125751:119956,CCC1CCc2ccccc2C1NCC#Cc1cscn1,SCVWWKLNDFYKQQ-UHFFFAOYSA-N
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| 108 |
rxn:2:90658:153992,Cc1ccc(-c2ccccc2C(C)NC(C)Cc2nc(CC3CCCO3)no2)cc1,ZQAYGXKGTMEPPP-UHFFFAOYSA-N
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| 109 |
rxn:2:76850:160312,FC(F)(c1ccc2c(c1)C(N[C@H]1CC[C@H](c3nc4ccccc4o3)CC1)c1ccccc1-2)c1nnn[nH]1,ZNRWLDGRKMUGBT-AYJVVXMVSA-N
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| 110 |
rxn:2:125751:119956,CCC1CCc2ccccc2C1NCC#Cc1cscn1,SCVWWKLNDFYKQQ-UHFFFAOYSA-N
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| 111 |
+
rxn:3:50658:29051:117395,CC1CC(C)Oc2cc(C(C)NC(=O)c3ccc(C4C(Cn5cc(-c6cnc7c(c6)CCCN7C)nn5)C4(F)F)c(F)c3)ccc2O1,BPAXPGRMIJPAJG-UHFFFAOYSA-N
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