Added 1 molecules from epoch 18693 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
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@@ -13,3 +13,4 @@ rxn:2:76292:163156,Cc1ccc(-c2ccc3c(c2)CCO3)c(C(C)NC(C)CC2CCCCO2)c1,HXOHKQDWLCBFD
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| 13 |
rxn:2:92336:137597,COc1ccc(C2CC2NC2CC(C)(SC)CCC2C(C)C)c(OC)c1,SWEGNNPIXGUIGY-UHFFFAOYSA-N
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| 14 |
rxn:2:113507:173057,Cc1ccc2ncc(-c3csc(C(C)Nc4ccc5c(c4)N(C(C)C)CC5)c3)cc2c1,ZKCFAPCSBFGJGE-UHFFFAOYSA-N
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| 15 |
rxn:2:102354:169963,Cc1cc2occc(=O)c2cc1-c1ccc(C(C)Nn2c(C(C)C)n[nH]c2=O)s1,LMOWFFAGPGGWNT-UHFFFAOYSA-N
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| 13 |
rxn:2:92336:137597,COc1ccc(C2CC2NC2CC(C)(SC)CCC2C(C)C)c(OC)c1,SWEGNNPIXGUIGY-UHFFFAOYSA-N
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| 14 |
rxn:2:113507:173057,Cc1ccc2ncc(-c3csc(C(C)Nc4ccc5c(c4)N(C(C)C)CC5)c3)cc2c1,ZKCFAPCSBFGJGE-UHFFFAOYSA-N
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| 15 |
rxn:2:102354:169963,Cc1cc2occc(=O)c2cc1-c1ccc(C(C)Nn2c(C(C)C)n[nH]c2=O)s1,LMOWFFAGPGGWNT-UHFFFAOYSA-N
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| 16 |
+
rxn:4:208488:228442,COc1cc(Cl)c(F)cc1-c1cc(C)n(C)c1C#N,DXEKTZOLRJERKK-UHFFFAOYSA-N
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