Added 1 molecules from epoch 18918 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
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@@ -170,3 +170,4 @@ rxn:1:52719:687,Cc1nc2ccccc2c(=O)n1N1CC1(C)c1cn(CCC2CC2c2ccc(C(=O)O)c(Cl)c2)nn1,
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| 170 |
rxn:1:48932:29631,CCN(c1cn(CCC(O)C(O)c2cc(Cl)cc(N)c2O)nn1)S(=O)(=O)c1ccc(C)cc1,MHSOPCIHLBUHAQ-UHFFFAOYSA-N
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| 171 |
rxn:2:82891:80455,CCOC1CC(N[C@@H]2CCN(Cc3ccccc3C)C2)C1n1cccn1,CJJRLGOJOWCZML-YXOXRFPUSA-N
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| 172 |
rxn:1:61539:15806,O=C1CSC2(CCN(C(=O)CCn3cc(-c4cn(-c5c(F)cc(F)cc5F)nc4C4CCCCC4)nn3)CC2)N1,CNTSVFFZBMRPKX-UHFFFAOYSA-N
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| 170 |
rxn:1:48932:29631,CCN(c1cn(CCC(O)C(O)c2cc(Cl)cc(N)c2O)nn1)S(=O)(=O)c1ccc(C)cc1,MHSOPCIHLBUHAQ-UHFFFAOYSA-N
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| 171 |
rxn:2:82891:80455,CCOC1CC(N[C@@H]2CCN(Cc3ccccc3C)C2)C1n1cccn1,CJJRLGOJOWCZML-YXOXRFPUSA-N
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| 172 |
rxn:1:61539:15806,O=C1CSC2(CCN(C(=O)CCn3cc(-c4cn(-c5c(F)cc(F)cc5F)nc4C4CCCCC4)nn3)CC2)N1,CNTSVFFZBMRPKX-UHFFFAOYSA-N
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| 173 |
+
rxn:2:150544:161800,Cc1n[nH]c2cc(C3CC3CNC(C)c3ccnc(-c4ccc5cn[nH]c5c4)c3)ccc12,LJTCADHAQDJIAW-UHFFFAOYSA-N
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