Added 28 molecules from epoch 20001 for P31645

P31645_molecules.csv

@@ -47853,3 +47853,31 @@ rxn:1:45969:22661,CSc1cnn(-c2cncc(-c3cn(CCC=Cc4cnc(N)c(CO)c4)nn3)c2)c1I,KLTJKYWW
 rxn:1:46102:22681,Cc1nn(-c2cncc(-c3cn(CCC=Cc4cnc(N)c(N)c4C)nn3)c2)c(I)c1I,HOXCZYLFXNPMQU-UHFFFAOYSA-N
 rxn:1:48563:22659,CSc1cnn(-c2cncc(-c3cn(-c4nc5nnnn5c5sc6c(c45)CC(C)(C)N(C)C6)nn3)c2)c1Br,ORWHIFOHWLTQTN-UHFFFAOYSA-N
 rxn:1:48563:22661,CSc1cnn(-c2cncc(-c3cn(-c4nc5nnnn5c5sc6c(c45)CC(C)(C)N(C)C6)nn3)c2)c1I,NBOKHVASLUVGLC-UHFFFAOYSA-N
+rxn:1:40420:22880,Nc1cc(F)cc(C=CCn2cc(-c3cncc(-n4nc(C(F)F)cc4I)c3)nn2)c1N,UDNRSMGVWZAVPS-UHFFFAOYSA-N
+rxn:1:40505:22701,CCc1nn(-c2cncc(-c3cn(CC=Cc4cccc(CNC)c4)nn3)c2)c(I)c1I,FXGMQHSKCTWZLW-UHFFFAOYSA-N
+rxn:1:40701:22677,Cc1nn(-c2cncc(-c3cn(CC=Cc4ccc5c(c4)CNCC5)nn3)c2)c(Br)c1I,IOJFXKRWTWQYGI-UHFFFAOYSA-N
+rxn:1:40851:22677,Cc1nn(-c2cncc(-c3cn(CC=Cc4cc(SC#N)ccc4N)nn3)c2)c(Br)c1I,OYFRPOVRMLLKFV-UHFFFAOYSA-N
+rxn:1:41191:23567,Nc1c(-c2cn(CC=Cc3cc(F)c([N+](=O)[O-])cc3Cl)nn2)sc2c(I)cncc12,RYYFESQAHXQFSI-UHFFFAOYSA-N
+rxn:1:42183:22701,CCc1nn(-c2cncc(-c3cn(CC#Cc4n[nH]c(N)c4C#N)nn3)c2)c(I)c1I,PKPLUFDZNDZWAR-UHFFFAOYSA-N
+rxn:1:42545:22689,CCc1nn(-c2cncc(-c3cn(CC#Cc4cnc(C#N)c(F)c4)nn3)c2)c(N)c1I,VHPQBGIZFWQVMW-UHFFFAOYSA-N
+rxn:1:42576:22701,CCc1nn(-c2cncc(-c3cn(CC#Cc4cnc(N)c(CO)c4)nn3)c2)c(I)c1I,RTOQKXRGVRILRM-UHFFFAOYSA-N
+rxn:1:42606:22701,CCc1nn(-c2cncc(-c3cn(CC#Cc4cc(CN)ccc4F)nn3)c2)c(I)c1I,VLUOPQBYWZBGIM-UHFFFAOYSA-N
+rxn:1:42662:22699,CCc1nn(-c2cncc(-c3cn(CC#Cc4c(N)ccc(F)c4F)nn3)c2)c(I)c1Br,NINKWDQBCXPLDU-UHFFFAOYSA-N
+rxn:1:42730:22700,CCc1nn(-c2cncc(-c3cn(CC#Cc4cc(N)c(N)nc4C)nn3)c2)c(I)c1Cl,IFYBGAPATYJKQB-UHFFFAOYSA-N
+rxn:1:42749:22842,Ic1c(C2CCCC2)nn(-c2cncc(-c3cn(CC#Cc4ncnc5[nH]cnc45)nn3)c2)c1I,BNDKIBNSSMRGBY-UHFFFAOYSA-N
+rxn:1:42773:22841,Clc1c(C2CCCC2)nn(-c2cncc(-c3cn(CC#Cc4cnc5[nH]ncc5c4)nn3)c2)c1I,RTBOCASGMSEGNB-UHFFFAOYSA-N
+rxn:1:42775:22836,Brc1c(C2CCCC2)nn(-c2cncc(-c3cn(CC#Cc4cnc5nc[nH]c5c4)nn3)c2)c1Br,XNAPRJVNDCOJPR-UHFFFAOYSA-N
+rxn:1:42775:22838,Brc1c(I)c(C2CCCC2)nn1-c1cncc(-c2cn(CC#Cc3cnc4nc[nH]c4c3)nn2)c1,BEKNRKHIHZAFGN-UHFFFAOYSA-N
+rxn:1:42822:22661,CSc1cnn(-c2cncc(-c3cn(CC#Cc4ccc5c(c4)CCNC5)nn3)c2)c1I,ZTGRCFSSCNBYDJ-UHFFFAOYSA-N
+rxn:1:43050:28978,O=c1c2ncccc2[se]n1-c1c(F)cc(-c2cn(CC#Cc3cc([N+](=O)[O-])ccc3Cl)nn2)cc1F,AAIYQKABDJCOJI-UHFFFAOYSA-N
+rxn:1:43054:28997,O=c1c2nccnc2[se]n1-c1c(F)cc(-c2cn(CC#Cc3ccc([N+](=O)[O-])cc3Cl)nn2)cc1F,CPRDAZWBXXCFJI-UHFFFAOYSA-N
+rxn:1:43266:22681,Cc1nn(-c2cncc(-c3cn(CC#Cc4c(O)ncnc4C(F)(F)F)nn3)c2)c(I)c1I,MQUZHZHMSSBWLI-UHFFFAOYSA-N
+rxn:1:43266:23493,Nc1c(-c2cn(CC#Cc3c(O)ncnc3C(F)(F)F)nn2)sc2ncc(-c3cccc(Br)c3)cc12,OFQZVLYBSSBQMR-UHFFFAOYSA-N
+rxn:1:43266:23495,Nc1c(-c2cn(CC#Cc3c(O)ncnc3C(F)(F)F)nn2)sc2ncc(-c3cccc(F)c3)cc12,YRUZGQGZAJQFDC-UHFFFAOYSA-N
+rxn:1:43276:23567,Nc1cc(C(F)(F)F)ccc1C#CCn1cc(-c2sc3c(I)cncc3c2N)nn1,SIQWXNDTFIQAPJ-UHFFFAOYSA-N
+rxn:1:43473:22701,CCc1nn(-c2cncc(-c3cn(CC#Cc4cnc5[nH]cc([N+](=O)[O-])c5c4)nn3)c2)c(I)c1I,USRVVGKZLXYWBU-UHFFFAOYSA-N
+rxn:1:43476:22701,CCc1nn(-c2cncc(-c3cn(CC#Cc4cc([N+](=O)[O-])c5cn[nH]c5c4)nn3)c2)c(I)c1I,CXWFYGPAIKSPJC-UHFFFAOYSA-N
+rxn:1:43594:22701,CCc1nn(-c2cncc(-c3cn(CC#Cc4ccc(-c5cc(C(=O)O)[nH]n5)cc4)nn3)c2)c(I)c1I,QTEMZOGHVGMPPE-UHFFFAOYSA-N
+rxn:1:47655:22700,CCc1nn(-c2cncc(-c3cn(CC(O)C(O)c4n[nH]c5ncnc(N)c45)nn3)c2)c(I)c1Cl,GFKQLNGVYYSPHA-UHFFFAOYSA-N
+rxn:1:47997:22700,CCc1nn(-c2cncc(-c3cn(CC(O)C(O)c4cnc(N)c5ccccc45)nn3)c2)c(I)c1Cl,UKAYYQUXZKDALI-UHFFFAOYSA-N
+rxn:1:48952:23513,Nc1c(-c2cn(CCC(O)C(O)c3ccc4[nH]ncc4c3)nn2)sc2ncc(-c3ccc([N+](=O)[O-])cc3)cc12,VQSPBKQETVLDJR-UHFFFAOYSA-N