Added 37 molecules from epoch 20093 for P31645

P31645_molecules.csv

@@ -50415,3 +50415,40 @@ rxn:1:59438:22915,O=S(=O)(Cl)c1cccc2cc(-n3cc(-c4cncc(-n5nc(C6CNC6)c(I)c5Cl)c4)nn
 rxn:1:60076:22923,Cc1cc(C#N)cc(C)c1-n1cc(-c2cncc(-n3nc(C4CNC4)c(I)c3I)c2)nn1,FKOVYCBUDFEYPU-UHFFFAOYSA-N
 rxn:1:60382:22923,N#CCn1cc(Cn2cc(-c3cncc(-n4nc(C5CNC5)c(I)c4I)c3)nn2)c(-c2cccs2)n1,STDJECUIXSLTGJ-UHFFFAOYSA-N
 rxn:1:60731:22911,Cc1csc2cc([C@@H](C)n3cc(-c4cncc(-n5nc(C6CNC6)c(I)c5N)c4)nn3)c(Br)c(=O)n12,MTURIQKKEREZPF-GFCCVEGCSA-N
+rxn:1:40108:22920,Cc1cc(N)ncc1C=CCn1cc(-c2cncc(-n3nc(C4CNC4)cc3I)c2)nn1,LBIGMUXQLPILAW-UHFFFAOYSA-N
+rxn:1:40229:22858,CCCc1nn(-c2cncc(-c3cn(CC=Cc4cnc(O)cc4C)nn3)c2)c(Br)c1I,LGKYPTSFLSRFTC-UHFFFAOYSA-N
+rxn:1:41199:23567,Nc1c(-c2cn(CC=Cc3cc([N+](=O)[O-])c(O)cc3F)nn2)sc2c(I)cncc12,YRIZAKODCABDOP-UHFFFAOYSA-N
+rxn:1:41251:22913,Clc1ncnc2cc(C=CCn3cc(-c4cncc(-n5nc(C6CNC6)c(Br)c5Cl)c4)nn3)ccc12,CMVASIDAHOEZPN-UHFFFAOYSA-N
+rxn:1:41266:22923,Oc1nncc2cc(C=CCn3cc(-c4cncc(-n5nc(C6CNC6)c(I)c5I)c4)nn3)ccc12,BVPJBOBKNVUYRY-UHFFFAOYSA-N
+rxn:1:41620:22915,Clc1ncnc2ccc(C=CCn3cc(-c4cncc(-n5nc(C6CNC6)c(I)c5Cl)c4)nn3)cc12,OYRXFGNCANCKAJ-UHFFFAOYSA-N
+rxn:1:41830:22920,N#Cc1ccc2[nH]cc(C=CCn3cc(-c4cncc(-n5nc(C6CNC6)cc5I)c4)nn3)c2c1,LKVGUCSPGPYUNB-UHFFFAOYSA-N
+rxn:1:41873:22887,Oc1c(I)c(C(F)F)nn1-c1cncc(-c2cn(CC=Cc3c(Cl)ncnc3Cl)nn2)c1,SPTYFJQWYHHDGU-UHFFFAOYSA-N
+rxn:1:41925:22911,Nc1ncc(C#CCn2cc(-c3cncc(-n4nc(C5CNC5)c(I)c4N)c3)nn2)s1,YQHBIHNHOXNDND-UHFFFAOYSA-N
+rxn:1:41976:22883,Cc1n[nH]c(C)c1C#CCn1cc(-c2cncc(-n3nc(C(F)F)c(I)c3I)c2)nn1,FXNAPJJXJFQBJS-UHFFFAOYSA-N
+rxn:1:42222:22883,Cc1cc(N)cnc1C#CCn1cc(-c2cncc(-n3nc(C(F)F)c(I)c3I)c2)nn1,JKAWQRYWZYWRRF-UHFFFAOYSA-N
+rxn:1:42249:22883,Nc1ccc(C#CCn2cc(-c3cncc(-n4nc(C(F)F)c(I)c4I)c3)nn2)c(F)c1,TVUMKZKHAOXMHL-UHFFFAOYSA-N
+rxn:1:42693:22701,CCc1nn(-c2cncc(-c3cn(CC#Cc4ccc(S(N)(=O)=O)s4)nn3)c2)c(I)c1I,UEENNUGAKCDOHE-UHFFFAOYSA-N
+rxn:1:42813:22759,Clc1cc2[nH]ccc2cc1C#CCn1cc(-c2cncc(-n3nc(C4CCC4)c(Br)c3I)c2)nn1,QDNHNQMDUOHMRP-UHFFFAOYSA-N
+rxn:1:43243:23538,Nc1cc(Cl)c(C#CCn2cc(-c3oc4c(I)cncc4c3N)nn2)cc1[N+](=O)[O-],WFIXVXDFGHBVKL-UHFFFAOYSA-N
+rxn:1:43388:22719,CC(C)c1nn(-c2cncc(-c3cn(CC#Cc4cnc5[nH]cc(C=O)c5c4)nn3)c2)c(I)c1Br,GARQTLPVSIXQHG-UHFFFAOYSA-N
+rxn:1:43599:22659,CSc1cnn(-c2cncc(-c3cn(CC#Cc4ccc5c(O)c(C(=O)O)cnc5c4)nn3)c2)c1Br,ZIXDMUYRIARXTC-UHFFFAOYSA-N
+rxn:1:43668:22920,Oc1ccc(Br)cc1C#CCn1cc(-c2cncc(-n3nc(C4CNC4)cc3I)c2)nn1,PHABXAOMIWALBG-UHFFFAOYSA-N
+rxn:1:43679:22920,Fc1c(C#CCn2cc(-c3cncc(-n4nc(C5CNC5)cc4I)c3)nn2)ccnc1Cl,NUIOONXHYKWYNX-UHFFFAOYSA-N
+rxn:1:44055:22920,Nc1ncc(C#CCCn2cc(-c3cncc(-n4nc(C5CNC5)cc4I)c3)nn2)nc1N,MYHDJWBIFWBTDF-UHFFFAOYSA-N
+rxn:1:46164:22848,CCCc1nn(-c2cncc(-c3cn(CCC=Cc4n[nH]c5ncnc(Cl)c45)nn3)c2)c(N)c1Br,JWFSRSHNVQBARD-UHFFFAOYSA-N
+rxn:1:46208:22920,Nc1ncnc2[nH]nc(C=CCCn3cc(-c4cncc(-n5nc(C6CNC6)cc5I)c4)nn3)c12,BJPLDHBVOPHBII-UHFFFAOYSA-N
+rxn:1:47585:22719,CC(C)c1nn(-c2cncc(-c3cn(CC(O)C(O)c4ccc5ocnc5c4)nn3)c2)c(I)c1Br,AHIAFLOYMIHRCR-UHFFFAOYSA-N
+rxn:1:47586:22801,CC(C)Cc1nn(-c2cncc(-c3cn(CC(O)C(O)c4cnc5[nH]ncc5c4)nn3)c2)c(I)c1Cl,AQDCFACMTODRPC-UHFFFAOYSA-N
+rxn:1:48040:22860,CCCc1nn(-c2cncc(-c3cn(CC(O)C(O)c4ccc5ncnc(N)c5c4)nn3)c2)c(I)c1Br,RWMMXRMLZUMNPR-UHFFFAOYSA-N
+rxn:1:53420:22919,FC(F)c1ocnc1Cn1cc(-c2cncc(-n3nc(C4CNC4)c(I)c3Br)c2)nn1,SXTKXQRIDFENEF-UHFFFAOYSA-N
+rxn:1:55956:22921,Brc1c(C2CNC2)nn(-c2cncc(-c3cn(CC4CC4c4cnc5[nH]ccc5c4)nn3)c2)c1I,HIUGVHURJSVDMX-UHFFFAOYSA-N
+rxn:1:56019:22920,Cc1n[nH]c2cc(C3CC3Cn3cc(-c4cncc(-n5nc(C6CNC6)cc5I)c4)nn3)ccc12,HSOSVFKZDYEWSL-UHFFFAOYSA-N
+rxn:1:56674:22883,O=c1[nH]cnc2cc(C3CC3Cn3cc(-c4cncc(-n5nc(C(F)F)c(I)c5I)c4)nn3)ccc12,XOTKATZKXTXMJT-UHFFFAOYSA-N
+rxn:1:57556:22860,CCCc1nn(-c2cncc(-c3cn(CCCc4cnc(N)nc4C)nn3)c2)c(I)c1Br,XJAKEMINYNOTPW-UHFFFAOYSA-N
+rxn:1:58006:22911,Nc1nc2c(CCCn3cc(-c4cncc(-n5nc(C6CNC6)c(I)c5N)c4)nn3)cccc2s1,RVMLGLOAZQGNLI-UHFFFAOYSA-N
+rxn:1:58014:22909,Cc1n[nH]c2cc(CCCn3cc(-c4cncc(-n5nc(C6CNC6)c(Br)c5N)c4)nn3)ccc12,JJIJTOJHFHNUKZ-UHFFFAOYSA-N
+rxn:1:58452:22923,Clc1cnc2ccc(CCCn3cc(-c4cncc(-n5nc(C6CNC6)c(I)c5I)c4)nn3)cc2n1,JVIFZJOTGDCOPE-UHFFFAOYSA-N
+rxn:1:58525:22919,Clc1ccc(-n2cc(CCCn3cc(-c4cncc(-n5nc(C6CNC6)c(I)c5Br)c4)nn3)cn2)nn1,QXEXDOQWBANJQD-UHFFFAOYSA-N
+rxn:1:59299:7853,Cn1cncc1[C@@](O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(-c3cn(CCCCc4ncnc5[nH]cnc45)nn3)c1)cc(=O)n2C,AAAQHNOXBORYQS-KXQOOQHDSA-N
+rxn:1:59356:22916,Nc1nc2ccc(CCCCn3cc(-c4cncc(-n5nc(C6CNC6)cc5Br)c4)nn3)cc2s1,WQVDCASCGOCRDM-UHFFFAOYSA-N
+rxn:1:60382:22909,N#CCn1cc(Cn2cc(-c3cncc(-n4nc(C5CNC5)c(Br)c4N)c3)nn2)c(-c2cccs2)n1,QDXIWZYTTFDJMJ-UHFFFAOYSA-N