Added 27 molecules from epoch 20003 for P31645

P31645_molecules.csv

@@ -47906,3 +47906,30 @@ rxn:1:45983:22661,CSc1cnn(-c2cncc(-c3cn(CCC=Cc4ccc(F)cc4CN)nn3)c2)c1I,OVYBEGNZKB
 rxn:1:46291:23567,Nc1c(-c2cn(CCC=Cc3ccc(C(=O)O)c(O)c3)nn2)sc2c(I)cncc12,ACXMWOSYQUWRNE-UHFFFAOYSA-N
 rxn:1:46644:22679,Cc1nn(-c2cncc(-c3cn(CCC=Cc4ccc5c(O)c(C(=O)O)cnc5c4)nn3)c2)c(I)c1Br,LWUYAXLSKMMXSH-UHFFFAOYSA-N
 rxn:1:47049:22681,Cc1nn(-c2cncc(-c3cn(CC(O)C(O)c4cnc(N)c(N)n4)nn3)c2)c(I)c1I,DDUZMYWULDSOAS-UHFFFAOYSA-N
+rxn:1:40461:22701,CCc1nn(-c2cncc(-c3cn(CC=Cc4cc(N)cnc4OC)nn3)c2)c(I)c1I,GZEANEVPNIXTSY-UHFFFAOYSA-N
+rxn:1:41141:23567,Nc1c(-c2cn(CC=Cc3c(O)ncnc3C(F)(F)F)nn2)sc2c(I)cncc12,MAJZWENMUYKJLU-UHFFFAOYSA-N
+rxn:1:42547:22738,N#Cc1cnc(Cl)c(C#CCn2cc(-c3cncc(-n4nc(C5CC5)cc4I)c3)nn2)c1,VLXIBZJVBBEFRF-UHFFFAOYSA-N
+rxn:1:42558:23513,Cc1cc(C#CCn2cc(-c3sc4ncc(-c5ccc([N+](=O)[O-])cc5)cc4c3N)nn2)cc(N)c1N,FDUFZEGAAZLHTE-UHFFFAOYSA-N
+rxn:1:42726:22880,COc1cc(C#CCn2cc(-c3cncc(-n4nc(C(F)F)cc4I)c3)nn2)ccc1N,LAVWAFZDQMOLTM-UHFFFAOYSA-N
+rxn:1:42730:22693,CCc1nn(-c2cncc(-c3cn(CC#Cc4cc(N)c(N)nc4C)nn3)c2)c(Cl)c1I,UAKIIQSMNAHORY-UHFFFAOYSA-N
+rxn:1:42781:22840,Brc1c(C2CCCC2)nn(-c2cncc(-c3cn(CC#Cc4cnc5cnccn45)nn3)c2)c1I,URUOEDJJPJGUCO-UHFFFAOYSA-N
+rxn:1:42807:22915,Cc1cc2[nH]ncc2cc1C#CCn1cc(-c2cncc(-n3nc(C4CNC4)c(I)c3Cl)c2)nn1,FVXWWUCLWNHYOO-UHFFFAOYSA-N
+rxn:1:42993:29034,Cc1ncc([N+](=O)[O-])cc1C#CCn1cc(-c2cc(F)c(-n3[se]c4ncccc4c3=O)c(F)c2)nn1,FQRASFZJNLOHHT-UHFFFAOYSA-N
+rxn:1:43255:23538,Cc1cc(C#CCn2cc(-c3oc4c(I)cncc4c3N)nn2)c(N)cc1[N+](=O)[O-],BHAMREPGVFGXPJ-UHFFFAOYSA-N
+rxn:1:43263:23569,Cc1cc(C#CCn2cc(-c3sc4c(Br)cncc4c3N)nn2)cc([N+](=O)[O-])c1N,DPGRFGHAMPDGHE-UHFFFAOYSA-N
+rxn:1:43266:23498,Nc1c(-c2cn(CC#Cc3c(O)ncnc3C(F)(F)F)nn2)sc2ncc(-c3cccc(Cl)c3)cc12,DYCFOQKYHWYKRW-UHFFFAOYSA-N
+rxn:1:43266:23548,Nc1c(-c2cn(CC#Cc3c(O)ncnc3C(F)(F)F)nn2)oc2ncc(-c3cccc(Cl)c3)cc12,IEKMGUGSNQWKNS-UHFFFAOYSA-N
+rxn:1:43272:23567,COc1ncc([N+](=O)[O-])cc1C#CCn1cc(-c2sc3c(I)cncc3c2N)nn1,PLOVPNNHNSWBLL-UHFFFAOYSA-N
+rxn:1:43274:23538,Nc1cccc(C(F)(F)F)c1C#CCn1cc(-c2oc3c(I)cncc3c2N)nn1,FATCZRGFFZBLOD-UHFFFAOYSA-N
+rxn:1:43276:23538,Nc1cc(C(F)(F)F)ccc1C#CCn1cc(-c2oc3c(I)cncc3c2N)nn1,DWCYVMZDDXDOBY-UHFFFAOYSA-N
+rxn:1:43279:23567,Nc1ccc(C(F)(F)F)c(C#CCn2cc(-c3sc4c(I)cncc4c3N)nn2)c1,YYJVEGOOQOITEF-UHFFFAOYSA-N
+rxn:1:43295:23536,Cc1c(C#CCn2cc(-c3oc4c(Br)cncc4c3N)nn2)cc(F)cc1[N+](=O)[O-],DFNDZLWNMUHLDB-UHFFFAOYSA-N
+rxn:1:44060:23513,Nc1ncc(F)cc1C#CCCn1cc(-c2sc3ncc(-c4ccc([N+](=O)[O-])cc4)cc3c2N)nn1,KSXZPJICHPDBBI-UHFFFAOYSA-N
+rxn:1:45667:22701,CCc1nn(-c2cncc(-c3cn(CCC=Cc4cc(O)nnc4O)nn3)c2)c(I)c1I,KVMLPJGIBXKVTL-UHFFFAOYSA-N
+rxn:1:46621:22677,Cc1nn(-c2cncc(-c3cn(CCC=Cc4cccc5c(C(=O)O)cccc45)nn3)c2)c(Br)c1I,FJSGYCNVFPOFJE-UHFFFAOYSA-N
+rxn:1:46644:23567,Nc1c(-c2cn(CCC=Cc3ccc4c(O)c(C(=O)O)cnc4c3)nn2)sc2c(I)cncc12,PVWQYIHLFATXSB-UHFFFAOYSA-N
+rxn:1:48032:22700,CCc1nn(-c2cncc(-c3cn(CC(O)C(O)c4cccc5c(=O)cc[nH]c45)nn3)c2)c(I)c1Cl,IGMIFMSHKYJIQU-UHFFFAOYSA-N
+rxn:1:48563:22680,Cc1nn(-c2cncc(-c3cn(-c4nc5nnnn5c5sc6c(c45)CC(C)(C)N(C)C6)nn3)c2)c(I)c1Cl,KIMIUUXJZYIMRJ-UHFFFAOYSA-N
+rxn:1:48952:22689,CCc1nn(-c2cncc(-c3cn(CCC(O)C(O)c4ccc5[nH]ncc5c4)nn3)c2)c(N)c1I,DRIGAASEXUDMHA-UHFFFAOYSA-N
+rxn:1:48961:23513,Nc1c(-c2cn(CCC(O)C(O)c3ccc4cn[nH]c4c3)nn2)sc2ncc(-c3ccc([N+](=O)[O-])cc3)cc12,XQQUJOLLSSIXHC-UHFFFAOYSA-N
+rxn:1:49575:22679,Cc1nn(-c2cncc(-c3cn(CC4C(c5c[nH]nc5N)C4(F)F)nn3)c2)c(I)c1Br,MJHLYOLMGQKPFC-UHFFFAOYSA-N