Added 1 molecules from epoch 18883 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
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@@ -151,3 +151,4 @@ rxn:1:59710:20706,COc1ccc(C)cc1Cn1nc(C2CC2)cc1-c1cn(Cc2ccc(CC#N)cc2)nn1,PTGYXCIY
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| 151 |
rxn:2:110613:66762,CSCc1ncc(C(C)NCCC2CC2c2ccsc2)s1,VIFBDOBFVDNGQU-UHFFFAOYSA-N
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| 152 |
rxn:1:63181:13047,COC(=O)c1ccnc(N2CC(Cn3cc(-c4ccc(C(=O)NC5CCS(=O)(=O)CC5)cc4)nn3)CC2=O)c1,CJNVXCPUMOLEJL-UHFFFAOYSA-N
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| 153 |
rxn:2:98351:146958,CCc1ncccc1-c1ccc(C(C)NCc2ccc(-n3nccc3C)cc2)nc1,JQXMERNXWXQTTR-UHFFFAOYSA-N
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| 151 |
rxn:2:110613:66762,CSCc1ncc(C(C)NCCC2CC2c2ccsc2)s1,VIFBDOBFVDNGQU-UHFFFAOYSA-N
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| 152 |
rxn:1:63181:13047,COC(=O)c1ccnc(N2CC(Cn3cc(-c4ccc(C(=O)NC5CCS(=O)(=O)CC5)cc4)nn3)CC2=O)c1,CJNVXCPUMOLEJL-UHFFFAOYSA-N
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| 153 |
rxn:2:98351:146958,CCc1ncccc1-c1ccc(C(C)NCc2ccc(-n3nccc3C)cc2)nc1,JQXMERNXWXQTTR-UHFFFAOYSA-N
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| 154 |
+
rxn:1:46760:9352,CC(C(=O)Nc1cccc(-c2cn(CCC=Cc3ccnc4cc(Cl)ccc34)nn2)c1)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O,HFBYHMUURCHDOG-UHFFFAOYSA-N
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