Added 1 molecules from epoch 18848 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
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@@ -146,3 +146,4 @@ rxn:3:65445:443:107767,Cc1cc(-c2cn(CC3CC(=O)N(c4nc(C(=O)NCC5(COC(C)C)CC5)cs4)C3)
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| 146 |
rxn:3:48103:444:96434,COc1c(C)c(C)cc(C)c1C(C)NC(=O)COc1ccccc1-n1cc(-c2cc(C)nc3ccc(F)cc23)nn1,GNFGUUDPKBZQFE-UHFFFAOYSA-N
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| 147 |
rxn:4:176795:228827,COc1cc(-c2cc(F)c(F)cc2C)ccc1OC(C)=O,KVCFYFOJQANPIB-UHFFFAOYSA-N
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| 148 |
rxn:5:190648:223316:225514,CCOC(=O)c1c(-c2ccc3[nH]nc(C)c3c2)nc2ccccc2c1-c1cccc2c1OCC1(CC1)CO2,AISGXZDWBYAVAY-UHFFFAOYSA-N
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| 146 |
rxn:3:48103:444:96434,COc1c(C)c(C)cc(C)c1C(C)NC(=O)COc1ccccc1-n1cc(-c2cc(C)nc3ccc(F)cc23)nn1,GNFGUUDPKBZQFE-UHFFFAOYSA-N
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| 147 |
rxn:4:176795:228827,COc1cc(-c2cc(F)c(F)cc2C)ccc1OC(C)=O,KVCFYFOJQANPIB-UHFFFAOYSA-N
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| 148 |
rxn:5:190648:223316:225514,CCOC(=O)c1c(-c2ccc3[nH]nc(C)c3c2)nc2ccccc2c1-c1cccc2c1OCC1(CC1)CO2,AISGXZDWBYAVAY-UHFFFAOYSA-N
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| 149 |
+
rxn:4:190445:224080,COc1cc(S(=O)(=O)N2CCCC(C)C2)c(C)cc1-c1ccc(OCCCN2CCCCC2)cc1,CJJCSFAJLKPCRK-UHFFFAOYSA-N
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