Added 1 molecules from epoch 18752 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
|
@@ -60,3 +60,4 @@ rxn:1:53837:32239,Cc1nc2c(F)c(-c3cn(CCC4C(c5cc(Br)ncc5F)C4(F)F)nn3)ccc2n1C,UGGWT
|
|
| 60 |
rxn:1:48226:7704,COc1cncc(-c2cn(CC(O)C(O)c3ccc(Br)cc3OC)nn2)n1,OQXIZSDSHDHSKO-UHFFFAOYSA-N
|
| 61 |
rxn:1:55786:33650,CN(Cc1cn(CC2CC2c2cc(F)ccc2CN)nn1)S(=O)(=O)c1ccccc1Cl,ZINXPZWLSYXFPG-UHFFFAOYSA-N
|
| 62 |
rxn:5:181746:227802:226040,Cc1c(-c2ccccc2-c2ccc(-c3c(F)c(F)c(F)c(F)c3F)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-],HNUMBIDIWUYARL-UHFFFAOYSA-N
|
|
|
|
|
|
| 60 |
rxn:1:48226:7704,COc1cncc(-c2cn(CC(O)C(O)c3ccc(Br)cc3OC)nn2)n1,OQXIZSDSHDHSKO-UHFFFAOYSA-N
|
| 61 |
rxn:1:55786:33650,CN(Cc1cn(CC2CC2c2cc(F)ccc2CN)nn1)S(=O)(=O)c1ccccc1Cl,ZINXPZWLSYXFPG-UHFFFAOYSA-N
|
| 62 |
rxn:5:181746:227802:226040,Cc1c(-c2ccccc2-c2ccc(-c3c(F)c(F)c(F)c(F)c3F)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-],HNUMBIDIWUYARL-UHFFFAOYSA-N
|
| 63 |
+
rxn:1:58091:39159,CCc1c(C)n(Cc2cn(CCCc3ccc(S(C)(=O)=O)cc3)nn2)c2nc3ccccc3n2c1=O,KXFLOXGSQUJTAN-UHFFFAOYSA-N
|