Added 1 molecules from epoch 18720 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
|
@@ -26,3 +26,4 @@ rxn:5:190768:228670:225624,COc1ccc(-c2ccc(-c3ccc(OC(=O)c4cccc(-c5ccc6oncc6c5)c4)
|
|
| 26 |
rxn:1:59004:5672,COc1cc(OC)cc(OC2(c3cn(CCCCc4ncc(N)cc4C)nn3)CCCC2)c1,APIKEHHBGSAWRL-UHFFFAOYSA-N
|
| 27 |
rxn:5:194610:227535:225886,CCOc1cc(F)c(F)cc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2cccc(-c3ccc4c(ccn4S(C)(=O)=O)c3)c12,VPMJAPJGYSQDRZ-UHFFFAOYSA-N
|
| 28 |
rxn:2:165164:145923,Cc1ccc(-c2cnc(N3CCC(Nc4cc(C5(C)COC5)nn4-c4ccccc4)C3)nc2)cc1,DNWLITFBQPAAGC-UHFFFAOYSA-N
|
|
|
|
|
|
| 26 |
rxn:1:59004:5672,COc1cc(OC)cc(OC2(c3cn(CCCCc4ncc(N)cc4C)nn3)CCCC2)c1,APIKEHHBGSAWRL-UHFFFAOYSA-N
|
| 27 |
rxn:5:194610:227535:225886,CCOc1cc(F)c(F)cc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2cccc(-c3ccc4c(ccn4S(C)(=O)=O)c3)c12,VPMJAPJGYSQDRZ-UHFFFAOYSA-N
|
| 28 |
rxn:2:165164:145923,Cc1ccc(-c2cnc(N3CCC(Nc4cc(C5(C)COC5)nn4-c4ccccc4)C3)nc2)cc1,DNWLITFBQPAAGC-UHFFFAOYSA-N
|
| 29 |
+
rxn:3:43040:8709:83272,CC(C)[C@@H](NC(=O)c1cc(C#CCn2cc(-c3ccc(C(F)F)nc3)nn2)cnc1F)c1ccsc1,MDGKFKCNCCEVPR-JOCHJYFZSA-N
|