Added 1 molecules from epoch 18796 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
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@@ -100,3 +100,4 @@ rxn:2:86990:169992,Cc1ccc(Cn2ncc(C)c2NC(C)c2sc(-c3c(C)c(C)cc(C)c3C)nc2C)s1,KCYFP
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| 100 |
rxn:2:89404:172100,Cc1cccc(C(NCC(c2ccccn2)N2CCCSCC2)c2cccc(CN3CCCC3)c2)c1C,QFJJQONCCGAPSE-UHFFFAOYSA-N
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| 101 |
rxn:3:42680:29586:86692,CC=C(C)c1cn(CC#Cc2ccc(C(=O)NC3COc4c(C)cc(C(C)(C)C)cc43)nc2)nn1,LEFWSMKFRRGGDB-UHFFFAOYSA-N
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| 102 |
rxn:5:195080:229298:228023,O=[N+]([O-])c1cccc(-c2ccc3nccnc3c2)c1-c1cnccn1,QHLPQNYSUASWFE-UHFFFAOYSA-N
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| 100 |
rxn:2:89404:172100,Cc1cccc(C(NCC(c2ccccn2)N2CCCSCC2)c2cccc(CN3CCCC3)c2)c1C,QFJJQONCCGAPSE-UHFFFAOYSA-N
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| 101 |
rxn:3:42680:29586:86692,CC=C(C)c1cn(CC#Cc2ccc(C(=O)NC3COc4c(C)cc(C(C)(C)C)cc43)nc2)nn1,LEFWSMKFRRGGDB-UHFFFAOYSA-N
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| 102 |
rxn:5:195080:229298:228023,O=[N+]([O-])c1cccc(-c2ccc3nccnc3c2)c1-c1cnccn1,QHLPQNYSUASWFE-UHFFFAOYSA-N
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| 103 |
+
rxn:5:178846:228263:227197,COC(=O)c1ccc(-c2ccc3c(c2)C(=O)N(C)C3)cc1-c1ccc(C(C)(F)F)cc1,BHCYFTNORAICSW-UHFFFAOYSA-N
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