Added 1 molecules from epoch 18766 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
|
@@ -72,3 +72,4 @@ rxn:2:145812:82495,COC(CNCCc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1,LUHVVSPIYIDHSE-UHFFFAO
|
|
| 72 |
rxn:4:191110:224029,Cc1ccc(S(=O)(=O)c2cc3ccccc3oc2=Nc2ccc(-c3ccc4cc(-c5ccccc5)ccc4c3)cc2)cc1,AWJUIDKOFVVKRL-UHFFFAOYSA-N
|
| 73 |
rxn:4:199727:224917,Cc1ccc(Sc2c(C)nn(C(=O)COc3ccccc3-c3ccc(N4CCC(C)CC4)cc3C)c2C)cc1,RBBANHNUZMQWLN-UHFFFAOYSA-N
|
| 74 |
rxn:1:57226:17215,Cc1ccc(CCCn2cc(Cn3c(=NC(=O)c4c(C)cnn4C)sc4cc(F)ccc43)nn2)cc1F,SJOUZLXNVIGPEI-UHFFFAOYSA-N
|
|
|
|
|
|
| 72 |
rxn:4:191110:224029,Cc1ccc(S(=O)(=O)c2cc3ccccc3oc2=Nc2ccc(-c3ccc4cc(-c5ccccc5)ccc4c3)cc2)cc1,AWJUIDKOFVVKRL-UHFFFAOYSA-N
|
| 73 |
rxn:4:199727:224917,Cc1ccc(Sc2c(C)nn(C(=O)COc3ccccc3-c3ccc(N4CCC(C)CC4)cc3C)c2C)cc1,RBBANHNUZMQWLN-UHFFFAOYSA-N
|
| 74 |
rxn:1:57226:17215,Cc1ccc(CCCn2cc(Cn3c(=NC(=O)c4c(C)cnn4C)sc4cc(F)ccc43)nn2)cc1F,SJOUZLXNVIGPEI-UHFFFAOYSA-N
|
| 75 |
+
rxn:5:195637:223090:226588,Cc1cc([N+](=O)[O-])cc(-c2cc(OC3CCC3)ncc2F)c1-c1ccc2[nH]nc(C(F)(F)F)c2c1,IIQWTLNIPNZPGK-UHFFFAOYSA-N
|