Added 1 molecules from epoch 18880 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
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@@ -149,3 +149,4 @@ rxn:5:190648:223316:225514,CCOC(=O)c1c(-c2ccc3[nH]nc(C)c3c2)nc2ccccc2c1-c1cccc2c
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| 149 |
rxn:4:190445:224080,COc1cc(S(=O)(=O)N2CCCC(C)C2)c(C)cc1-c1ccc(OCCCN2CCCCC2)cc1,CJJCSFAJLKPCRK-UHFFFAOYSA-N
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| 150 |
rxn:1:59710:20706,COc1ccc(C)cc1Cn1nc(C2CC2)cc1-c1cn(Cc2ccc(CC#N)cc2)nn1,PTGYXCIYGDPGKR-UHFFFAOYSA-N
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| 151 |
rxn:2:110613:66762,CSCc1ncc(C(C)NCCC2CC2c2ccsc2)s1,VIFBDOBFVDNGQU-UHFFFAOYSA-N
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| 149 |
rxn:4:190445:224080,COc1cc(S(=O)(=O)N2CCCC(C)C2)c(C)cc1-c1ccc(OCCCN2CCCCC2)cc1,CJJCSFAJLKPCRK-UHFFFAOYSA-N
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| 150 |
rxn:1:59710:20706,COc1ccc(C)cc1Cn1nc(C2CC2)cc1-c1cn(Cc2ccc(CC#N)cc2)nn1,PTGYXCIYGDPGKR-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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