Added 29 molecules from epoch 19259 for P31645

P31645_molecules.csv

@@ -47019,3 +47019,32 @@ rxn:4:224348:193042,COc1cc(-c2ccc(-c3cccc(C(F)(F)F)c3)nc2)cnc1C1CCOC1,DNERBHQWWA
 rxn:4:224390:183500,CCOC(=O)Cc1cc(C#N)cc(-c2cnc(-c3ccc(C(F)(F)F)cc3)nc2)c1C(F)F,ZPZYHOJLIHBJSK-UHFFFAOYSA-N
 rxn:4:224390:190644,COC(=O)Cc1cnc2c(F)cc(-c3cnc(-c4ccc(C(F)(F)F)cc4)nc3)cc2c1,DJPQUZDTTMPUHZ-UHFFFAOYSA-N
 rxn:4:225603:205979,N#CC1(c2cccc(-c3cnc(-c4ccc(C(F)(F)F)cc4)cn3)c2F)CCC1,PJLODFMGLVSZTL-UHFFFAOYSA-N
+rxn:4:188744:222755,COc1cc(-c2ccc(C(=O)NCc3cccs3)cc2)ccc1C=C[N+](=O)[O-],KYMJOFVHMXAQAW-UHFFFAOYSA-N
+rxn:4:188744:226023,COc1cc(-c2ccc(Cl)c(OCC(F)F)c2F)ccc1C=C[N+](=O)[O-],XNEIKANLJRSXHE-UHFFFAOYSA-N
+rxn:4:189770:224013,CN(C)CC1(c2ccc(-c3cnc(-c4ccc(C(F)(F)F)cc4)nc3Cl)cc2)CC1,WZUFTUUQKITEAC-UHFFFAOYSA-N
+rxn:4:190203:223339,CN(Cc1ccc(-c2cc3cccc(Cl)c3[nH]2)c(F)c1)C1CCOCC1,VPELRWCPBPSPER-UHFFFAOYSA-N
+rxn:4:192675:224331,CCc1c(-c2ccc(-c3ccc(C(F)(F)F)cc3)nc2)[nH]c(C)c1C(C)=O,JZQFVPGBQZVENV-UHFFFAOYSA-N
+rxn:4:192792:222927,Cc1nc(N2CCCCC2O)ncc1-c1cc(-c2ccc(C(F)(F)F)cc2)ccn1,UJGNWRLRVKZMJS-UHFFFAOYSA-N
+rxn:4:192843:222889,Fc1cc(CN2CCNCC2)cc(-c2ccc(-c3ccc(C(F)(F)F)cc3F)nc2)c1,JZCAQXAPXDSDET-UHFFFAOYSA-N
+rxn:4:192848:223312,c1cc(-c2ccc(C3CNC3)cc2)cc(OC2CCCC2)n1,WQGRUJMHZZMQGW-UHFFFAOYSA-N
+rxn:4:192864:222915,O=C(NC1=NCCS1)c1ccc(-c2cncc(OC3CCCC3)c2)cc1,NDJFXNZZCJRKRX-UHFFFAOYSA-N
+rxn:4:192884:222652,Cc1cc(C(=O)N(C)C)c(F)cc1-c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1,RDOLMCIDMLZFCN-UHFFFAOYSA-N
+rxn:4:197263:222769,O=C(NC1CCCC1)c1ccc(-c2cnc3cc(C(F)(F)F)ccc3c2)cc1F,BLGOVXSQXZOQTN-UHFFFAOYSA-N
+rxn:4:203241:222913,O=S(=O)(NCc1ccc(-c2cnc(-c3cccc(OC(F)(F)F)c3)cn2)cc1)C1CC1,SCYCFNMAZHOLBJ-UHFFFAOYSA-N
+rxn:4:203242:222396,O=C(NC1CCC(O)CC1)c1ccc(-c2cnc(-c3ccc(OC(F)(F)F)cc3)cn2)cc1,QJUPBKGCQYPUSW-UHFFFAOYSA-N
+rxn:4:203242:223023,CN(C)C(=O)NCc1ccc(-c2cnc(-c3ccc(OC(F)(F)F)cc3)cn2)cc1,MMRYLEFDSULAGJ-UHFFFAOYSA-N
+rxn:4:205264:222771,Cc1cc([N+](=O)[O-])cc(-c2ccc(F)c(C(=O)NC3CCCC3)c2)c1C#N,NAVIRAOQFFEVRF-UHFFFAOYSA-N
+rxn:4:205603:224424,CCCC1CCC(c2ccc(-c3cncc(CN(C)C)c3)cc2)CC1,FDWIODLUNNNLNT-UHFFFAOYSA-N
+rxn:4:205979:224307,CC(C)(C)[Si](C)(C)Oc1cc(F)c(-c2cnc(-c3ccc(C(F)(F)F)cc3)cn2)c(F)c1,MUOIIJQFTYSURM-UHFFFAOYSA-N
+rxn:4:205979:225209,Cc1nc(N2CCCCC2C)ncc1-c1cnc(-c2ccc(C(F)(F)F)cc2)cn1,HUDFZGOYIKMVJH-UHFFFAOYSA-N
+rxn:4:206006:223031,CCNC(=O)c1ccc(-c2cnc(-c3ccc(C(F)(F)F)cc3)nc2Cl)c(OC)c1,HIMYFCXJBXNORO-UHFFFAOYSA-N
+rxn:4:223062:195161,O=[N+]([O-])c1cc(Cl)c(F)c(-c2cnc(C3CCNCC3)cc2F)c1,VCNUDLXJRJGWJS-UHFFFAOYSA-N
+rxn:4:223177:189202,CS(=O)(=O)NCc1ccc(-c2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)cc1,WXHJRLYZBBMYJW-UHFFFAOYSA-N
+rxn:4:223228:192843,CCC(=O)Nc1ccc(-c2ccc(-c3ccc(C(F)(F)F)cc3F)nc2)cc1,IIALOWBZPPONJD-UHFFFAOYSA-N
+rxn:4:224013:190751,CCOC(=O)C1CCc2ncc(-c3cnc(-c4ccc(C(F)(F)F)cc4)nc3Cl)cc2C1,QNTKOFVCPXXRLP-UHFFFAOYSA-N
+rxn:4:224390:193316,FC(F)(F)c1ccc(-c2ncc(-c3cccc(CN4CCOCC4)c3)cn2)cc1,JMRBBBDZBNZSGA-UHFFFAOYSA-N
+rxn:4:224390:193338,FC(F)(F)c1ccc(-c2ncc(-c3cc(Cl)cc(CN4CCOCC4)c3)cn2)cc1,HVGBIBUVIYPDSC-UHFFFAOYSA-N
+rxn:4:224686:205979,O=C(c1ccc(-c2cnc(-c3ccc(C(F)(F)F)cc3)cn2)c(F)c1)N1CCCCC1,SMKJLFZXPMAGIM-UHFFFAOYSA-N
+rxn:4:224688:192843,O=C1CCN(Cc2ccc(-c3ccc(-c4ccc(C(F)(F)F)cc4F)nc3)cc2Cl)CC1,CLIMELREXOKVGB-UHFFFAOYSA-N
+rxn:4:225004:205979,O=C1CCN(Cc2ccc(-c3cnc(-c4ccc(C(F)(F)F)cc4)cn3)cc2)CC1,YOQWPLQFYPOEAZ-UHFFFAOYSA-N
+rxn:4:225274:203242,COCCOc1c(F)cc(-c2cnc(-c3ccc(OC(F)(F)F)cc3)cn2)c(C)c1F,QIPUXYHWKWWYDZ-UHFFFAOYSA-N