Added 41 molecules from epoch 20933 for P31645

P31645_molecules.csv

@@ -55098,3 +55098,44 @@ rxn:5:192710:229320:229017,Cc1cnc(C)c(-c2cc(-c3cc(F)cs3)ccc2CN2CCC2)c1,HMVUHQYKL
 rxn:5:192710:229320:229317,Fc1csc(-c2ccc(CN3CCC3)c(-c3ccc(F)s3)c2)c1,OMBNCHQYBYMLJX-UHFFFAOYSA-N
 rxn:5:192710:229330:229220,Cc1cc(-c2cc(-c3ccsc3)ccc2CN2CCC2)c(C)s1,DSZBDOCQKBWADB-UHFFFAOYSA-N
 rxn:5:192713:229227:229218,N#Cc1cc(-c2cc(-c3cccc(F)c3)ccc2CN2CCC2)cs1,ORQSXKVHAMAPDR-UHFFFAOYSA-N
+rxn:3:40002:340:77123,CCC(C)(C)CNC(=O)c1sccc1C=CCn1cc(Cc2cccs2)nn1,SKCCSUXKRCULBW-UHFFFAOYSA-N
+rxn:3:40005:2665:142009,CSCC(C)(F)CNC(=O)c1ccsc1C=CCn1cc(C(C)(C)F)nn1,FKBBKFZSLNXMJY-UHFFFAOYSA-N
+rxn:5:192488:228170:229342,CCOc1ccc(F)cc1-c1cc(-c2cnsc2)ccc1CN(C)C,XQGWJDQBYSJULA-UHFFFAOYSA-N
+rxn:5:192488:229222:229331,Cc1cc(-c2cc(-c3cccs3)ccc2CN(C)C)sc1C,ZKCXRCXHYDGHRO-UHFFFAOYSA-N
+rxn:5:192490:228007:229332,CN(C)Cc1ccc(-c2cc(F)ccc2C2CC2)cc1-c1ccoc1,DEXZRBOPUMQADF-UHFFFAOYSA-N
+rxn:5:192490:228540:229290,Cc1sccc1-c1cc(-c2cccc3c2COC3)ccc1CN(C)C,UBBXRODHPYGESK-UHFFFAOYSA-N
+rxn:5:192490:228576:229293,Cc1cc(-c2cc(-c3cc(C#N)ccc3C)ccc2CN(C)C)cs1,UEHBDOJIAHRXAH-UHFFFAOYSA-N
+rxn:5:192490:228780:229293,COc1c(F)cccc1-c1ccc(CN(C)C)c(-c2csc(C)c2)c1,ZXJJPTBPTRLBIR-UHFFFAOYSA-N
+rxn:5:192490:228983:229294,C#Cc1ccccc1-c1ccc(CN(C)C)c(-c2coc(C)c2)c1,ZAJDFLCXJQBYSC-UHFFFAOYSA-N
+rxn:5:192490:229041:229289,Cc1cscc1-c1cc(-c2c(C)cccc2F)ccc1CN(C)C,RCYCBRKMZNIKFN-UHFFFAOYSA-N
+rxn:5:192490:229075:229332,Cc1cc(-c2ccc(CN(C)C)c(-c3ccoc3)c2)sc1C#N,OCAWHYXZZGXQRS-UHFFFAOYSA-N
+rxn:5:192490:229140:229317,CN(C)Cc1ccc(-c2cccc(F)c2F)cc1-c1ccc(F)s1,IYLQMIRXHLVRLY-UHFFFAOYSA-N
+rxn:5:192490:229203:229221,CCc1ccsc1-c1ccc(CN(C)C)c(-c2sc(C)cc2C)c1,PREJURKLMCYCIB-UHFFFAOYSA-N
+rxn:5:192490:229226:229330,CN(C)Cc1ccc(-c2ccc(C#N)s2)cc1-c1ccsc1,ZRMFPCIDMVNHJW-UHFFFAOYSA-N
+rxn:5:192490:229227:229232,CCc1ncsc1-c1cc(-c2csc(C#N)c2)ccc1CN(C)C,YVOVLXUVCHNCDV-UHFFFAOYSA-N
+rxn:5:192490:229289:223397,Cc1cscc1-c1ccc(CN(C)C)c(-c2ccc3c(c2)CCN3)c1,GVOVIEGXCKNIIN-UHFFFAOYSA-N
+rxn:5:192490:229289:229031,Cc1ccc(-c2cc(-c3cscc3C)ccc2CN(C)C)c(F)c1,LWNFZKOEGDGACK-UHFFFAOYSA-N
+rxn:5:192490:229289:229273,COc1ncsc1-c1cc(-c2cscc2C)ccc1CN(C)C,GMGMSOHUFDLWJT-UHFFFAOYSA-N
+rxn:5:192490:229290:228871,COC(=O)c1ccsc1-c1cc(-c2ccsc2C)ccc1CN(C)C,HRLZNPGIXCKYCM-UHFFFAOYSA-N
+rxn:5:192490:229292:229293,Cc1cc(-c2cc(-c3ccoc3C)ccc2CN(C)C)cs1,VVJQPXSXPMIAIF-UHFFFAOYSA-N
+rxn:5:192490:229293:229206,CCc1cc(-c2cc(-c3csc(C)c3)ccc2CN(C)C)cs1,SZQJREFCVRURLI-UHFFFAOYSA-N
+rxn:5:192490:229310:229199,Cc1ccc(-c2cc(-c3csc(C)n3)ccc2CN(C)C)cc1,GWCDRBRUDIOOBR-UHFFFAOYSA-N
+rxn:5:192490:229310:229289,Cc1nc(-c2ccc(CN(C)C)c(-c3cscc3C)c2)cs1,GZRYPKIJUQGVAB-UHFFFAOYSA-N
+rxn:5:192490:229317:229115,Cc1ncc(F)cc1-c1cc(-c2ccc(F)s2)ccc1CN(C)C,AAKMKQSLQFCMTD-UHFFFAOYSA-N
+rxn:5:192490:229317:229313,Cc1cc(-c2cc(-c3ccc(F)s3)ccc2CN(C)C)sn1,RDBGUQMJFRYVOO-UHFFFAOYSA-N
+rxn:5:192490:229320:228508,CC(C)c1cccc(-c2cc(-c3cc(F)cs3)ccc2CN(C)C)c1,GMAIYXLGOQXGQJ-UHFFFAOYSA-N
+rxn:5:192490:229320:228637,Cc1cc(-c2cc(-c3cc(F)cs3)ccc2CN(C)C)c(C)cc1F,WOHQFHVEFPKISA-UHFFFAOYSA-N
+rxn:5:192490:229330:229017,Cc1cnc(C)c(-c2cc(-c3ccsc3)ccc2CN(C)C)c1,HVMSEGXGAWGMDQ-UHFFFAOYSA-N
+rxn:5:192490:229331:229017,Cc1cnc(C)c(-c2cc(-c3cccs3)ccc2CN(C)C)c1,IZUYZGLSZUWUBB-UHFFFAOYSA-N
+rxn:5:192490:229336:228980,C#Cc1cccc(-c2cc(-c3cncs3)ccc2CN(C)C)c1,AGLUIZWBHVWGBB-UHFFFAOYSA-N
+rxn:5:192490:229343:229211,Cc1ncccc1-c1cc(-c2ccsn2)ccc1CN(C)C,LIIHGMCGNXUZNJ-UHFFFAOYSA-N
+rxn:5:192491:228827:223464,Cc1cc(F)c(F)cc1-c1cc(CN(C)C)cc(-c2cc[nH]c2)c1,RKEUGHQOYLZNGF-UHFFFAOYSA-N
+rxn:5:192493:228999:229237,C#Cc1cncc(-c2ccc(-c3csc(SC)c3)c(CN(C)C)c2)c1,MVYBQAYGJZIHQG-UHFFFAOYSA-N
+rxn:5:192710:227424:229290,Cc1sccc1-c1cc(-c2ccc(-c3ccsc3)nc2)ccc1CN1CCC1,YPIBDUHWVTYVDU-UHFFFAOYSA-N
+rxn:5:192710:229331:229200,Cc1cccc(-c2cc(-c3cccs3)ccc2CN2CCC2)c1,QPOGHKKYKKZMRP-UHFFFAOYSA-N
+rxn:5:192710:229331:229314,Cc1ncsc1-c1cc(-c2cccs2)ccc1CN1CCC1,LDSBDPDARRVXOR-UHFFFAOYSA-N
+rxn:5:192710:229332:229201,Cc1ccccc1-c1cc(-c2ccoc2)ccc1CN1CCC1,KCTNSDJGDKODCP-UHFFFAOYSA-N
+rxn:5:192710:229332:229288,Cc1ccc(-c2cc(-c3ccoc3)ccc2CN2CCC2)s1,KDJMHSNPYYSAOK-UHFFFAOYSA-N
+rxn:5:192710:229342:229287,Cc1ccsc1-c1cc(-c2cnsc2)ccc1CN1CCC1,FLYKZDYAVWICOP-UHFFFAOYSA-N
+rxn:5:192713:228554:229332,CCOc1ccccc1-c1cc(-c2ccoc2)ccc1CN1CCC1,AVYTVYHLXADYMU-UHFFFAOYSA-N
+rxn:5:198120:228140:229317,CC(c1ccc(-c2ccc(-c3ccc(F)s3)nc2)s1)N(C)C,KSNAKITXASUBAI-UHFFFAOYSA-N