Added 1 molecules from epoch 18714 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
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@@ -21,3 +21,4 @@ rxn:1:58519:2077,CC1(C(=O)c2cn(CCCc3ccc(-c4ccc(Cl)cc4)o3)nn2)CCCNC1,XUFGSPJYYTVD
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rxn:5:195299:226325:228562,CCC(C)c1csc(-c2ncc(-c3ccc(C(C)(C)C#N)cc3F)cc2OC)c1,CHVKBDLFHZRXKT-UHFFFAOYSA-N
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rxn:1:61644:6937,NCCc1cc(-c2cnccn2)nn1Cc1cn([C@@H]2[C@H](Oc3ccc([N+](=O)[O-])cc3)O[C@H](CO)[C@H](O)[C@@H]2O)nn1,CUFIAVNCUDUNSG-OYTPZHDJSA-N
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| 23 |
rxn:4:186379:225239,N#Cc1ccc(-c2ccc(-c3ccccc3F)nc2F)cc1OCc1ccccc1,NTOOQBABIPDEPS-UHFFFAOYSA-N
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| 21 |
rxn:5:195299:226325:228562,CCC(C)c1csc(-c2ncc(-c3ccc(C(C)(C)C#N)cc3F)cc2OC)c1,CHVKBDLFHZRXKT-UHFFFAOYSA-N
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| 22 |
rxn:1:61644:6937,NCCc1cc(-c2cnccn2)nn1Cc1cn([C@@H]2[C@H](Oc3ccc([N+](=O)[O-])cc3)O[C@H](CO)[C@H](O)[C@@H]2O)nn1,CUFIAVNCUDUNSG-OYTPZHDJSA-N
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| 23 |
rxn:4:186379:225239,N#Cc1ccc(-c2ccc(-c3ccccc3F)nc2F)cc1OCc1ccccc1,NTOOQBABIPDEPS-UHFFFAOYSA-N
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| 24 |
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rxn:4:208228:229285,COc1ncnc(-c2cccn2C)c1Cl,DPXKQSTYMASPMD-UHFFFAOYSA-N
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