Added 1 molecules from epoch 18875 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
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@@ -147,3 +147,4 @@ rxn:3:48103:444:96434,COc1c(C)c(C)cc(C)c1C(C)NC(=O)COc1ccccc1-n1cc(-c2cc(C)nc3cc
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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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| 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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| 150 |
+
rxn:1:59710:20706,COc1ccc(C)cc1Cn1nc(C2CC2)cc1-c1cn(Cc2ccc(CC#N)cc2)nn1,PTGYXCIYGDPGKR-UHFFFAOYSA-N
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