Added 32 molecules from epoch 19978 for P31645

P31645_molecules.csv

@@ -47642,3 +47642,35 @@ rxn:1:43103:22679,COc1cc(C#CCn2cc(-c3cncc(-n4nc(C)c(Br)c4I)c3)nn2)c(Cl)cc1N,ZFPB
 rxn:1:44469:30868,CCc1cc(C#CCCn2cc(C(=O)N3CCC(C4CCN(C(=O)c5cnccc5C)CCCOc5ccccc5-c5noc(n5)CCC(=O)N4)CC3)nn2)ccc1N,ZDOWOWGFNNEWSJ-UHFFFAOYSA-N
 rxn:1:45269:22668,Cc1nn(-c2cncc(-c3cn(CCC#Cc4cc(F)c(Br)c(F)c4)nn3)c2)c(N)c1I,UNIJEPLUTLNAKX-UHFFFAOYSA-N
 rxn:1:62111:30880,Cc1cnccc1C(=O)N1CCCn2nccc2C(=O)N(C)CC2(CCC1)CN(C(=O)c1cn(C3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nn1)CCO2,MVEILHVUIBKGJM-UHFFFAOYSA-N
+rxn:1:40714:22679,Cc1nn(-c2cncc(-c3cn(CC=Cc4ccc5c(c4)CNC5=O)nn3)c2)c(I)c1Br,BMSLPGCQKAHNLZ-UHFFFAOYSA-N
+rxn:1:40737:10196,O=Cc1cc(Cl)cc(C=CCn2cc(Cn3c(-c4ccccc4)nc4scc(-c5ccc(F)cc5)c4c3=O)nn2)c1O,PNLAUNQFAUPTSI-UHFFFAOYSA-N
+rxn:1:40773:685,COc1ccc(CO)cc1C=CCn1cc(-c2c(C)n(-c3ccccc3)c3c(=O)n(Cc4ccccc4)cnc23)nn1,BJHRKDZGLMWUHK-UHFFFAOYSA-N
+rxn:1:40813:22668,CC(=O)c1ccc(F)cc1C=CCn1cc(-c2cncc(-n3nc(C)c(I)c3N)c2)nn1,IYMJIPOUXWLEKE-UHFFFAOYSA-N
+rxn:1:40851:22699,CCc1nn(-c2cncc(-c3cn(CC=Cc4cc(SC#N)ccc4N)nn3)c2)c(I)c1Br,LJRGTSCVPBJAQZ-UHFFFAOYSA-N
+rxn:1:40885:22668,Cc1nn(-c2cncc(-c3cn(CC=Cc4cccc(C(=O)NN)c4)nn3)c2)c(N)c1I,IVGGBTRTOCTCTJ-UHFFFAOYSA-N
+rxn:1:40899:22679,Cc1nn(-c2cncc(-c3cn(CC=Cc4cnccc4C(F)(F)F)nn3)c2)c(I)c1Br,OPEZNBLBIKSAIE-UHFFFAOYSA-N
+rxn:1:40912:22679,Cc1nn(-c2cncc(-c3cn(CC=Cc4cc(F)c(C#N)cc4F)nn3)c2)c(I)c1Br,CDEYUVFQDHZPMC-UHFFFAOYSA-N
+rxn:1:40984:22679,Cc1nn(-c2cncc(-c3cn(CC=Cc4ccc(C(=O)CN)cc4)nn3)c2)c(I)c1Br,VFSRARFHZRKMOM-UHFFFAOYSA-N
+rxn:1:41025:22931,Oc1cc(I)n(-c2cncc(-c3cn(CC=Cc4cccc(C(F)(F)F)c4F)nn3)c2)n1,ZTRBMSDGJHAJQS-UHFFFAOYSA-N
+rxn:1:41394:22674,Cc1cc(Br)n(-c2cncc(-c3cn(CC=Cc4ccc(C(F)(F)F)cc4C#N)nn3)c2)n1,CCYVDPWTHRNVAI-UHFFFAOYSA-N
+rxn:1:41632:22679,COC(=O)c1ccc2c(C=CCn3cc(-c4cncc(-n5nc(C)c(Br)c5I)c4)nn3)n[nH]c2c1,WHXNAEYQLMSXKO-UHFFFAOYSA-N
+rxn:1:41744:22667,COc1cc(Br)cc(C=CCn2cc(-c3cncc(-n4nc(C)c(Cl)c4N)c3)nn2)c1O,BELINJFYYFJIQC-UHFFFAOYSA-N
+rxn:1:41744:22668,COc1cc(Br)cc(C=CCn2cc(-c3cncc(-n4nc(C)c(I)c4N)c3)nn2)c1O,UIKXDOMJXGNSDE-UHFFFAOYSA-N
+rxn:1:41819:22680,COC(=O)c1ccc2c(C=CCn3cc(-c4cncc(-n5nc(C)c(Cl)c5I)c4)nn3)c[nH]c2c1,BAXWTKJFARPPLX-UHFFFAOYSA-N
+rxn:1:41874:22654,CSc1nc(Cl)c(C=CCn2cc(-c3cncc(-n4ncc(CN)c4I)c3)nn2)c(Cl)n1,KTCYWXCVMMBBQF-UHFFFAOYSA-N
+rxn:1:41874:22680,CSc1nc(Cl)c(C=CCn2cc(-c3cncc(-n4nc(C)c(Cl)c4I)c3)nn2)c(Cl)n1,GZAWKRFJSWVXOP-UHFFFAOYSA-N
+rxn:1:42974:22681,Cc1nn(-c2cncc(-c3cn(CC#Cc4cnc(C(F)(F)F)nc4)nn3)c2)c(I)c1I,AYYQGLYASJLBNA-UHFFFAOYSA-N
+rxn:1:42993:23485,Cc1ncc([N+](=O)[O-])cc1C#CCn1cc(-c2sc3ncc(C#N)cc3c2N)nn1,PKTSQTHRHKDQQO-UHFFFAOYSA-N
+rxn:1:43024:22681,Cc1nn(-c2cncc(-c3cn(CC#Cc4cnccc4C(F)(F)F)nn3)c2)c(I)c1I,UXUUVEYASLDPOB-UHFFFAOYSA-N
+rxn:1:43037:22654,N#Cc1cc(F)c(F)cc1C#CCn1cc(-c2cncc(-n3ncc(CN)c3I)c2)nn1,WVLPIFQKHHNHCF-UHFFFAOYSA-N
+rxn:1:43104:22679,COc1cc(C#CCn2cc(-c3cncc(-n4nc(C)c(Br)c4I)c3)nn2)c(F)cc1N,ZZBBRFWHPGFQKE-UHFFFAOYSA-N
+rxn:1:43280:22677,Cc1nn(-c2cncc(-c3cn(CC#Cc4ccc(N)cc4C(F)(F)F)nn3)c2)c(Br)c1I,QYSDIVMOUIXEGW-UHFFFAOYSA-N
+rxn:1:43294:22668,Cc1cc([N+](=O)[O-])c(F)cc1C#CCn1cc(-c2cncc(-n3nc(C)c(I)c3N)c2)nn1,IHOKXASXHPGBLO-UHFFFAOYSA-N
+rxn:1:43343:22668,Cc1nn(-c2cncc(-c3cn(CC#Cc4cc([N+](=O)[O-])c(N)nc4Cl)nn3)c2)c(N)c1I,SFSVLDWCOXTPAM-UHFFFAOYSA-N
+rxn:1:43589:22679,Cc1nn(-c2cncc(-c3cn(CC#Cc4ccc5oc(C(=O)O)cc(=O)c5c4)nn3)c2)c(I)c1Br,WTFIFCXFYKDBEI-UHFFFAOYSA-N
+rxn:1:44629:22675,Cc1nn(-c2cncc(-c3cn(-c4cc5ccc(OC6CCCC6)cc5oc4=O)nn3)c2)c(Br)c1Br,ZQIOQXPIINRDGO-UHFFFAOYSA-N
+rxn:1:45265:28596,O=c1c(=Cc2cn(Cc3cn(CCC#Cc4c(F)cc(F)cc4Br)nn3)c3ccccc23)sc2nc3ccccc3n12,VDEZMWRPRKXAIC-UHFFFAOYSA-N
+rxn:1:45970:22679,COc1cc(C=CCCn2cc(-c3cncc(-n4nc(C)c(Br)c4I)c3)nn2)cnc1N,SZYDQXXIAMXWER-UHFFFAOYSA-N
+rxn:1:46070:22668,COc1ncc(Cl)cc1C=CCCn1cc(-c2cncc(-n3nc(C)c(I)c3N)c2)nn1,XPWAOEBMOMBVLE-UHFFFAOYSA-N
+rxn:1:60009:30724,CN1CC2(CCCN(C(=O)C3CCCC3)CCCOc3ccccc3-c3cncc(c3)C1=O)CCN(C(=O)c1cn(C[C@H]3NC(=O)Cc4ccccc4CNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)nn1)CC2,KEIKXJGGXWEWPL-JFDROPRKSA-N
+rxn:1:61636:30348,Cc1noc(C)c1CN1CCCn2cc(cn2)C(=O)N(C)CC2(CCC1)CCN(C(=O)c1cn(-c3nc(I)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)nn1)CC2,YLPOKISDNLXXBJ-ZLXUNRMYSA-N