Added 1 molecules from epoch 18830 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
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@@ -130,3 +130,4 @@ rxn:1:47177:34894,CC(NC(=O)c1cc2c(s1)CCCC2)c1cn(CC(O)C(O)c2cnc(O)c(O)c2)nn1,LOJM
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| 130 |
rxn:1:46553:16246,COc1ccc(-n2cc(-c3cn(CCC=Cc4cccc5c4NC(=O)C5=O)nn3)c(C3CCCCC3)n2)cc1C,LTEDOQWCQMFPKN-UHFFFAOYSA-N
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| 131 |
rxn:3:54431:15533:66449,Cc1cc(C(=O)NC2CCSCC2)ccc1C1C(CCn2cc(-c3cn(C4CCCC4)nc3CC(C)C)nn2)C1(F)F,VQAFYBCEYCFLTB-UHFFFAOYSA-N
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| 132 |
rxn:3:51424:1881:94173,CC(C)C(CNC(=O)c1cc(C2C(Cn3cc(-c4cnc5scnc5c4)nn3)C2(F)F)cc(C(F)(F)F)c1)C1(c2ccco2)COC1,PSOVBWOZMKSSLU-UHFFFAOYSA-N
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| 130 |
rxn:1:46553:16246,COc1ccc(-n2cc(-c3cn(CCC=Cc4cccc5c4NC(=O)C5=O)nn3)c(C3CCCCC3)n2)cc1C,LTEDOQWCQMFPKN-UHFFFAOYSA-N
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| 131 |
rxn:3:54431:15533:66449,Cc1cc(C(=O)NC2CCSCC2)ccc1C1C(CCn2cc(-c3cn(C4CCCC4)nc3CC(C)C)nn2)C1(F)F,VQAFYBCEYCFLTB-UHFFFAOYSA-N
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| 132 |
rxn:3:51424:1881:94173,CC(C)C(CNC(=O)c1cc(C2C(Cn3cc(-c4cnc5scnc5c4)nn3)C2(F)F)cc(C(F)(F)F)c1)C1(c2ccco2)COC1,PSOVBWOZMKSSLU-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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