Added 1 molecules from epoch 18793 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
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@@ -97,3 +97,4 @@ rxn:4:195789:227450,COc1c(C)cc(-c2cccc(C3CC3(F)F)c2)nc1Cl,NZZUYFSLMPAWGG-UHFFFAO
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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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| 98 |
rxn:3:56436:16286:77864,COC1CC(NC(=O)Cc2ccc(C3CC3Cn3cc(-c4cnn(-c5ccc(F)cc5)c4C(C)C)nn3)cc2F)C1(C)C,UGPOOYLXOKRFCS-UHFFFAOYSA-N
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| 99 |
rxn:2:86990:169992,Cc1ccc(Cn2ncc(C)c2NC(C)c2sc(-c3c(C)c(C)cc(C)c3C)nc2C)s1,KCYFPGKYKBKWNG-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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| 98 |
rxn:3:56436:16286:77864,COC1CC(NC(=O)Cc2ccc(C3CC3Cn3cc(-c4cnn(-c5ccc(F)cc5)c4C(C)C)nn3)cc2F)C1(C)C,UGPOOYLXOKRFCS-UHFFFAOYSA-N
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| 99 |
rxn:2:86990:169992,Cc1ccc(Cn2ncc(C)c2NC(C)c2sc(-c3c(C)c(C)cc(C)c3C)nc2C)s1,KCYFPGKYKBKWNG-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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