Added 1 molecules from epoch 18910 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
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@@ -165,3 +165,4 @@ rxn:2:125231:164309,CN(C)CCC(Nc1ccc2c(c1)CN(C)CC2)c1cccc2ccccc12,NJDRWCDRXNJEHK-
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| 165 |
rxn:3:43458:2690:152753,CCOCC(C(=O)NCC1C(c2csc3ccccc23)C1(F)F)n1cc(C2(C(C)(F)F)CC2)nn1,PWRNQOHMYQSENO-UHFFFAOYSA-N
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| 166 |
rxn:2:101757:154171,CCc1cccc(-c2nc(CNC(C)c3c[nH]c4ncc(-c5c(C)cccc5OC)cc34)cs2)c1,ZQBBGUDKKMVBNH-UHFFFAOYSA-N
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| 167 |
rxn:3:41101:12181:96753,CCC(C)(c1cn(CC=Cc2cccc(C(=O)Nc3cc(C(C)(F)F)ccc3C)c2OC)nn1)C(F)F,NCWSLZNLANZQHW-UHFFFAOYSA-N
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| 165 |
rxn:3:43458:2690:152753,CCOCC(C(=O)NCC1C(c2csc3ccccc23)C1(F)F)n1cc(C2(C(C)(F)F)CC2)nn1,PWRNQOHMYQSENO-UHFFFAOYSA-N
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| 166 |
rxn:2:101757:154171,CCc1cccc(-c2nc(CNC(C)c3c[nH]c4ncc(-c5c(C)cccc5OC)cc34)cs2)c1,ZQBBGUDKKMVBNH-UHFFFAOYSA-N
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| 167 |
rxn:3:41101:12181:96753,CCC(C)(c1cn(CC=Cc2cccc(C(=O)Nc3cc(C(C)(F)F)ccc3C)c2OC)nn1)C(F)F,NCWSLZNLANZQHW-UHFFFAOYSA-N
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| 168 |
+
rxn:3:54199:39598:99156,COCC1(NC(=O)c2cccnc2C2C(CCn3cc(CN(C)C(C)(C)C)nn3)C2(F)F)CC2(CCC2)C1,ISNPCHSFXVIRIT-UHFFFAOYSA-N
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