Added 1 molecules from epoch 18748 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
|
@@ -56,3 +56,4 @@ rxn:4:211954:222684,Cc1n[nH]c2cccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)c12,DKESUFQNZIKWBY
|
|
| 56 |
rxn:5:198280:227528:229201,COC(=O)c1ccc(-c2cc(-c3ccccc3C)cnc2C)cc1F,RRFVXASCVGTREH-UHFFFAOYSA-N
|
| 57 |
rxn:3:62762:23171:99714,CS[C@@H]1CCCC[C@H]1NC(=O)C(c1cc(C)cc(C)c1)N1CC(Cn2cc(C3CCN(C4CCC4)CC3)nn2)CC1=O,UKUSMGLINNSUPY-PUZVDJLASA-N
|
| 58 |
rxn:2:161294:171222,CCc1c(CNC(C)c2ccc(-c3ccnc(OC(C)(C)C)c3)cc2C)cnn1-c1ccnc(C)c1C,KXXQUFANBQNPGA-UHFFFAOYSA-N
|
|
|
|
|
|
| 56 |
rxn:5:198280:227528:229201,COC(=O)c1ccc(-c2cc(-c3ccccc3C)cnc2C)cc1F,RRFVXASCVGTREH-UHFFFAOYSA-N
|
| 57 |
rxn:3:62762:23171:99714,CS[C@@H]1CCCC[C@H]1NC(=O)C(c1cc(C)cc(C)c1)N1CC(Cn2cc(C3CCN(C4CCC4)CC3)nn2)CC1=O,UKUSMGLINNSUPY-PUZVDJLASA-N
|
| 58 |
rxn:2:161294:171222,CCc1c(CNC(C)c2ccc(-c3ccnc(OC(C)(C)C)c3)cc2C)cnn1-c1ccnc(C)c1C,KXXQUFANBQNPGA-UHFFFAOYSA-N
|
| 59 |
+
rxn:1:53837:32239,Cc1nc2c(F)c(-c3cn(CCC4C(c5cc(Br)ncc5F)C4(F)F)nn3)ccc2n1C,UGGWTBDVFWGCBR-UHFFFAOYSA-N
|