Added 1 molecules from epoch 18790 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
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@@ -94,3 +94,4 @@ rxn:1:60410:21107,Cc1cc(C)cc(Cn2nc(C3CCC3)cc2-c2cn(-c3ccccc3C(F)(F)c3nc4cc(Cl)cc
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| 94 |
rxn:3:60397:18768:142148,CCc1ccc(C(C)n2nccc2-c2cn(-c3cccc(C(F)(F)c4nc5cc(C(=O)NC6c7cscc7CC6C)ccc5o4)c3)nn2)cc1,ZYWIPENPYWCMIG-UHFFFAOYSA-N
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| 95 |
rxn:5:193054:226968:227641,Cc1nn(-c2ccco2)cc1-c1c(C(=O)N2CCCC2)cccc1-c1ccc2c(c1)OC(C)(C)C2,WNDAPBLBSCAFOB-UHFFFAOYSA-N
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| 96 |
rxn:4:195789:227450,COc1c(C)cc(-c2cccc(C3CC3(F)F)c2)nc1Cl,NZZUYFSLMPAWGG-UHFFFAOYSA-N
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| 94 |
rxn:3:60397:18768:142148,CCc1ccc(C(C)n2nccc2-c2cn(-c3cccc(C(F)(F)c4nc5cc(C(=O)NC6c7cscc7CC6C)ccc5o4)c3)nn2)cc1,ZYWIPENPYWCMIG-UHFFFAOYSA-N
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| 95 |
rxn:5:193054:226968:227641,Cc1nn(-c2ccco2)cc1-c1c(C(=O)N2CCCC2)cccc1-c1ccc2c(c1)OC(C)(C)C2,WNDAPBLBSCAFOB-UHFFFAOYSA-N
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| 96 |
rxn:4:195789:227450,COc1c(C)cc(-c2cccc(C3CC3(F)F)c2)nc1Cl,NZZUYFSLMPAWGG-UHFFFAOYSA-N
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| 97 |
+
rxn:1:64771:36947,Cc1c(-c2cccc(OCc3cn(CC4CC(=O)N(c5ccc(Br)c(Cl)c5[N+](=O)[O-])C4)nn3)c2)ccc2c1cnn2C,NYOOADLTSKXYLF-UHFFFAOYSA-N
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