Added 1 molecules from epoch 18813 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
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@@ -115,3 +115,4 @@ rxn:2:94001:167106,CC(NCCc1c(C2CCC2)n[nH]c1C1CCCC1)c1cccnc1-c1cccc2ccoc12,HOJCXF
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| 115 |
rxn:3:40740:7657:99736,O=C(NCc1ccc(S(=O)(=O)F)cc1)c1cc(C=CCn2cc(-c3nc4c(s3)CCC4)nn2)ccc1F,FBAJYDUABQXSMS-UHFFFAOYSA-N
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| 116 |
rxn:4:187040:223034,COc1ccc(-c2cncc(C(=O)NC(C)(C)C)c2)c(CN(C)C2CCC2)c1,QGWYPSCLSNRGEJ-UHFFFAOYSA-N
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| 117 |
rxn:1:56638:35330,CC(NC(=O)c1cn2ccsc2n1)c1cn(CC2CC2c2cccc(C3OCCO3)c2)nn1,NPKFTJJRJSCNON-UHFFFAOYSA-N
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| 115 |
rxn:3:40740:7657:99736,O=C(NCc1ccc(S(=O)(=O)F)cc1)c1cc(C=CCn2cc(-c3nc4c(s3)CCC4)nn2)ccc1F,FBAJYDUABQXSMS-UHFFFAOYSA-N
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| 116 |
rxn:4:187040:223034,COc1ccc(-c2cncc(C(=O)NC(C)(C)C)c2)c(CN(C)C2CCC2)c1,QGWYPSCLSNRGEJ-UHFFFAOYSA-N
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| 117 |
rxn:1:56638:35330,CC(NC(=O)c1cn2ccsc2n1)c1cn(CC2CC2c2cccc(C3OCCO3)c2)nn1,NPKFTJJRJSCNON-UHFFFAOYSA-N
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| 118 |
+
rxn:4:175880:226307,COCc1cc(C)cc(-c2cccc(C(=O)CCc3ccccc3C)c2)c1OC,XDHZLKLVPDEAIF-UHFFFAOYSA-N
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