Added 1 molecules from epoch 18824 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
|
@@ -125,3 +125,4 @@ rxn:1:45050:25761,Cc1cc(C)n(CCCN2CC(c3cn(CCC#Cc4ccc5nc(Cl)ccc5c4)nn3)CC2=O)n1,XG
|
|
| 125 |
rxn:1:46763:15398,Oc1c(C=CCCn2cc(-c3ccc(-n4cc(I)cn4)cc3)nn2)cc(Cl)c2cccnc12,UEXMUULEIHQMIS-UHFFFAOYSA-N
|
| 126 |
rxn:5:197125:227105:227876,COc1cc(-c2c(C)oc3ccccc23)c2nc(-c3ccccc3-c3ccsc3)sc2c1,VTBLKYGGTFTDSP-UHFFFAOYSA-N
|
| 127 |
rxn:2:124214:109805,CCc1nc(C)cc(NC(C)c2nc(-c3ccccc3)[nH]c2C)n1,NQYMKEKKZCSEJA-UHFFFAOYSA-N
|
|
|
|
|
|
| 125 |
rxn:1:46763:15398,Oc1c(C=CCCn2cc(-c3ccc(-n4cc(I)cn4)cc3)nn2)cc(Cl)c2cccnc12,UEXMUULEIHQMIS-UHFFFAOYSA-N
|
| 126 |
rxn:5:197125:227105:227876,COc1cc(-c2c(C)oc3ccccc23)c2nc(-c3ccccc3-c3ccsc3)sc2c1,VTBLKYGGTFTDSP-UHFFFAOYSA-N
|
| 127 |
rxn:2:124214:109805,CCc1nc(C)cc(NC(C)c2nc(-c3ccccc3)[nH]c2C)n1,NQYMKEKKZCSEJA-UHFFFAOYSA-N
|
| 128 |
+
rxn:4:183812:228913,COc1nccc(-c2ccc(Oc3cccc(OCc4ccccc4)c3)c(C#N)c2)c1F,XZXWFMZCFWXENO-UHFFFAOYSA-N
|