Added 1 molecules from epoch 18788 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
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@@ -92,3 +92,4 @@ rxn:2:157865:67566,CC1CSc2ccccc2C1NCc1cc2cc(-c3ccccc3)ccc2o1,TYHKPZINAHNCGW-UHFF
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| 92 |
rxn:4:207002:222985,COc1cc(-c2ccc(C3CCCNC3)nc2C)cc(N2CCN(C)CC2)c1,OZZCVEJNJFDQBQ-UHFFFAOYSA-N
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| 93 |
rxn:1:60410:21107,Cc1cc(C)cc(Cn2nc(C3CCC3)cc2-c2cn(-c3ccccc3C(F)(F)c3nc4cc(Cl)cc(Br)c4o3)nn2)c1,UCQZRBUPEGXLHX-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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| 92 |
rxn:4:207002:222985,COc1cc(-c2ccc(C3CCCNC3)nc2C)cc(N2CCN(C)CC2)c1,OZZCVEJNJFDQBQ-UHFFFAOYSA-N
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| 93 |
rxn:1:60410:21107,Cc1cc(C)cc(Cn2nc(C3CCC3)cc2-c2cn(-c3ccccc3C(F)(F)c3nc4cc(Cl)cc(Br)c4o3)nn2)c1,UCQZRBUPEGXLHX-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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