Added 26 molecules from epoch 19999 for P31645

P31645_molecules.csv

@@ -47804,3 +47804,29 @@ rxn:1:48563:685,Cc1c(-c2cn(-c3nc4nnnn4c4sc5c(c34)CC(C)(C)N(C)C5)nn2)c2ncn(Cc3ccc
 rxn:1:49122:22679,Cc1nn(-c2cncc(-c3cn(CCC(O)C(O)c4ccc5nccc(Cl)c5c4)nn3)c2)c(I)c1Br,GIYXWRNNJQOLQF-UHFFFAOYSA-N
 rxn:1:49129:22679,Cc1nn(-c2cncc(-c3cn(CCC(O)C(O)c4ccc(N)c5ccccc45)nn3)c2)c(I)c1Br,FJLXSMDOIRXEMS-UHFFFAOYSA-N
 rxn:1:50554:22679,Cc1nn(-c2cncc(-c3cn(CC4C(c5n[nH]c6ncnc(Cl)c56)C4(F)F)nn3)c2)c(I)c1Br,AJHUYUKEUJSTNR-UHFFFAOYSA-N
+rxn:1:40695:22701,CCc1nn(-c2cncc(-c3cn(CC=Cc4ccc5c(c4)CCNC5)nn3)c2)c(I)c1I,QLHFRYDFOPHWEG-UHFFFAOYSA-N
+rxn:1:41125:23567,Nc1c(C=CCn2cc(-c3sc4c(I)cncc4c3N)nn2)cc(F)cc1[N+](=O)[O-],BJBDBVKYEKXFPO-UHFFFAOYSA-N
+rxn:1:42551:22880,Cc1cc(N)c(N)cc1C#CCn1cc(-c2cncc(-n3nc(C(F)F)cc3I)c2)nn1,BUMAPTWACLSKRV-UHFFFAOYSA-N
+rxn:1:42730:22701,CCc1nn(-c2cncc(-c3cn(CC#Cc4cc(N)c(N)nc4C)nn3)c2)c(I)c1I,HQOXFGBJPWWZLC-UHFFFAOYSA-N
+rxn:1:42734:22693,CCc1nn(-c2cncc(-c3cn(CC#Cc4cnc(N)c(N)c4C)nn3)c2)c(Cl)c1I,LFZHMKOTJJVHFU-UHFFFAOYSA-N
+rxn:1:42734:22700,CCc1nn(-c2cncc(-c3cn(CC#Cc4cnc(N)c(N)c4C)nn3)c2)c(I)c1Cl,JUESEACUYONQFR-UHFFFAOYSA-N
+rxn:1:42734:23513,Cc1c(C#CCn2cc(-c3sc4ncc(-c5ccc([N+](=O)[O-])cc5)cc4c3N)nn2)cnc(N)c1N,JRSGWJYUALCRRR-UHFFFAOYSA-N
+rxn:1:42775:22842,Ic1c(C2CCCC2)nn(-c2cncc(-c3cn(CC#Cc4cnc5nc[nH]c5c4)nn3)c2)c1I,QWHOZLFBUMUWQK-UHFFFAOYSA-N
+rxn:1:43102:22677,Cc1nn(-c2cncc(-c3cn(CC#Cc4cc(F)ccc4C(N)=O)nn3)c2)c(Br)c1I,DKNJKYIEESIBOV-UHFFFAOYSA-N
+rxn:1:43308:23538,Cc1cc(C)c([N+](=O)[O-])cc1C#CCn1cc(-c2oc3c(I)cncc3c2N)nn1,KTBLWJFYIZEEBU-UHFFFAOYSA-N
+rxn:1:43310:23567,Nc1c(-c2cn(CC#Cc3ccc(S(N)(=O)=O)c(Cl)c3)nn2)sc2c(I)cncc12,HICGICDLYOMXKJ-UHFFFAOYSA-N
+rxn:1:43317:23536,Nc1c(-c2cn(CC#Cc3cc(F)c([N+](=O)[O-])cc3F)nn2)oc2c(Br)cncc12,BSPNSYGXNXTBDT-UHFFFAOYSA-N
+rxn:1:43325:23567,Nc1c(-c2cn(CC#Cc3cc(F)c(O)c([N+](=O)[O-])c3)nn2)sc2c(I)cncc12,CXKKCIAJBLWGSF-UHFFFAOYSA-N
+rxn:1:43332:23545,Nc1c(-c2cn(CC#Cc3ccc(C=O)cc3[N+](=O)[O-])nn2)oc2ncc(-c3ccc(Cl)cc3)cc12,QXAVSWBDQWWMRV-UHFFFAOYSA-N
+rxn:1:44201:22701,CCc1nn(-c2cncc(-c3cn(CCC#Cc4ccc(O)nc4C)nn3)c2)c(I)c1I,IDOWEIASDQYHKO-UHFFFAOYSA-N
+rxn:1:45313:22697,CCc1nn(-c2cncc(-c3cn(-c4cccc(C#CCCNC)c4)nn3)c2)c(Br)c1I,GKGVCXBDQNCBDG-UHFFFAOYSA-N
+rxn:1:45612:22880,N#Cc1c(C=CCCn2cc(-c3cncc(-n4nc(C(F)F)cc4I)c3)nn2)n[nH]c1N,WDKLNMYVBUWJHM-UHFFFAOYSA-N
+rxn:1:45794:23513,Nc1cc(C=CCCn2cc(-c3sc4ncc(-c5ccc([N+](=O)[O-])cc5)cc4c3N)nn2)cnc1N,XNZJEHSDYLNPJW-UHFFFAOYSA-N
+rxn:1:46102:22680,Cc1nn(-c2cncc(-c3cn(CCC=Cc4cnc(N)c(N)c4C)nn3)c2)c(I)c1Cl,TXQHHUIEWMUYNP-UHFFFAOYSA-N
+rxn:1:46238:23567,Nc1c(-c2cn(CCC=Cc3cc(F)c(O)c(C=O)c3)nn2)sc2c(I)cncc12,ZNYUSIZKAPFULS-UHFFFAOYSA-N
+rxn:1:47659:23513,Nc1n[nH]c2cc(C(O)C(O)Cn3cc(-c4sc5ncc(-c6ccc([N+](=O)[O-])cc6)cc5c4N)nn3)ccc12,CYQHRGNTZBRLNW-UHFFFAOYSA-N
+rxn:1:48563:22675,Cc1nn(-c2cncc(-c3cn(-c4nc5nnnn5c5sc6c(c45)CC(C)(C)N(C)C6)nn3)c2)c(Br)c1Br,AOPUNAVYAIIZPK-UHFFFAOYSA-N
+rxn:1:48563:22677,Cc1nn(-c2cncc(-c3cn(-c4nc5nnnn5c5sc6c(c45)CC(C)(C)N(C)C6)nn3)c2)c(Br)c1I,FQJMVYZHYUKVKD-UHFFFAOYSA-N
+rxn:1:48962:23513,Nc1c(-c2cn(CCC(O)C(O)c3ccc4[nH]cnc4c3)nn2)sc2ncc(-c3ccc([N+](=O)[O-])cc3)cc12,CANFGGQBWWSGTD-UHFFFAOYSA-N
+rxn:1:51335:9882,COc1ccc(-c2[nH]c3c(c2C2C(=O)N(Cc4cn(CC5C(c6ccc(N7CCOCC7)cc6)C5(F)F)nn4)c4ccccc42)c(=O)n(C)c(=O)n3C)cc1,LRIYFVXOFZHJBW-UHFFFAOYSA-N
+rxn:1:61924:30347,Cc1ccc(F)c(CN2CCCn3cc(cn3)C(=O)N(C)CC3(CCC2)CCN(C(=O)c2cn(-c4nc(N)c5ncn(C6OC(CO)C(O)C6O)c5n4)nn2)CC3)c1,MCTKIYWNVHWPAT-UHFFFAOYSA-N