Added 40 molecules from epoch 21780 for P23977

P23977_molecules.csv

@@ -46510,3 +46510,43 @@ rxn:5:198227:223311:229237,CSc1cc(-c2ccc(-c3cccc(C4CNC4)c3)c(C)n2)cs1,OWUVZLFXBY
 rxn:5:198413:223311:229332,c1cc(-c2ccc3c(-c4ccoc4)noc3c2)cc(C2CNC2)c1,JSCZOHUFHXKIML-UHFFFAOYSA-N
 rxn:5:198527:229330:223312,c1cc(-c2ccc3c(-c4ccc(C5CNC5)cc4)c[nH]c3c2)cs1,HTFWYHBOWNMFNM-UHFFFAOYSA-N
 rxn:5:198665:229317:223464,Fc1ccc(-c2cc3ccc(-c4cc[nH]c4)cc3cn2)s1,WHJSIFYOIVHTSK-UHFFFAOYSA-N
+rxn:5:178713:223311:229294,C#CCc1cc(-c2coc(C)c2)ccc1-c1cccc(C2CNC2)c1,DBICVHZFPDIUBW-UHFFFAOYSA-N
+rxn:5:179194:223311:229313,Cc1cc(-c2ccc(-c3cccc(C4CNC4)c3)c(OC3CC3)c2)sn1,VJMOMZNSXIVVDA-UHFFFAOYSA-N
+rxn:5:180882:223312:229226,C#Cc1cc(-c2ccc(C3CNC3)cc2)ccc1-c1ccc(C#N)s1,ZBXRBYUXLHFIKG-UHFFFAOYSA-N
+rxn:5:180882:223312:229342,C#Cc1cc(-c2ccc(C3CNC3)cc2)ccc1-c1cnsc1,UGWNBRGZZIFGTD-UHFFFAOYSA-N
+rxn:5:181280:223421:229317,CCc1cc(-c2ccc(F)s2)ccc1-c1ccc(C(C)NC)s1,AXQDLTOZYPLQED-UHFFFAOYSA-N
+rxn:5:182442:223200:229332,c1cc(-c2ccc(-c3ccc(C4CCNC4)cc3)cc2)co1,DOIROFKDSDSXCM-UHFFFAOYSA-N
+rxn:5:182442:223311:229258,Fc1cncc(-c2ccc(-c3cccc(C4CNC4)c3)cc2)c1,YOMDHQMUYQHABZ-UHFFFAOYSA-N
+rxn:5:182442:223312:229053,COCc1ccc(-c2ccc(-c3ccc(C4CNC4)cc3)cc2)s1,RFJMSHLFIMIKAC-UHFFFAOYSA-N
+rxn:5:182442:223312:229237,CSc1cc(-c2ccc(-c3ccc(C4CNC4)cc3)cc2)cs1,ZISKPNSRPGMUFH-UHFFFAOYSA-N
+rxn:5:182442:223312:229336,c1ncc(-c2ccc(-c3ccc(C4CNC4)cc3)cc2)s1,AVEROZQIHWHQPM-UHFFFAOYSA-N
+rxn:5:182442:223398:229332,CNCc1ccc(-c2ccc(-c3ccoc3)cc2)cc1,GBZUQUAYEMIOJA-UHFFFAOYSA-N
+rxn:5:182442:223400:229291,CNCc1cccc(-c2ccc(-c3cc(C)cs3)cc2)c1,MYQOPGRUNJQPQC-UHFFFAOYSA-N
+rxn:5:182442:223421:229294,CNC(C)c1ccc(-c2ccc(-c3coc(C)c3)cc2)s1,CXWHJQZWGIPPJV-UHFFFAOYSA-N
+rxn:5:182442:227892:229317,CN(C)Cc1ccc(-c2ccc(-c3ccc(F)s3)cc2)cc1,SWROGIOTYIDNTK-UHFFFAOYSA-N
+rxn:5:182442:229317:223199,Fc1ccc(-c2ccc(-c3cccc(C4CCNC4)c3)cc2)s1,XWJCYBGEZSTOGE-UHFFFAOYSA-N
+rxn:5:182500:223312:229226,Cc1cc(-c2ccc(C#N)s2)ccc1-c1ccc(C2CNC2)cc1,OZJUBZVWSJYQCI-UHFFFAOYSA-N
+rxn:5:182500:223312:229344,Cc1cc(-c2cocn2)ccc1-c1ccc(C2CNC2)cc1,YBKKJMCLLXOPFR-UHFFFAOYSA-N
+rxn:5:182500:223400:229332,CNCc1cccc(-c2ccc(-c3ccoc3)cc2C)c1,NURKGEWIWMEAMU-UHFFFAOYSA-N
+rxn:5:182502:223421:229331,CNC(C)c1ccc(-c2ccc(-c3cccs3)c(C)c2)s1,KSZQJXGAPGQLHL-UHFFFAOYSA-N
+rxn:5:182647:223312:229292,Cc1occc1-c1ccc2cc(-c3ccc(C4CNC4)cc3)sc2c1,JBZRXWPFVRAMBI-UHFFFAOYSA-N
+rxn:5:182647:229330:223464,c1cc(-c2ccc3cc(-c4ccsc4)sc3c2)c[nH]1,GHNHQIJCGIIIGF-UHFFFAOYSA-N
+rxn:5:182647:229342:223464,c1cc(-c2ccc3cc(-c4cnsc4)sc3c2)c[nH]1,JEWVYGILMWCXGQ-UHFFFAOYSA-N
+rxn:5:182647:229343:223312,c1cc(-c2cc3ccc(-c4ccc(C5CNC5)cc4)cc3s2)ns1,RIBJIAAYCMDVJL-UHFFFAOYSA-N
+rxn:5:192492:229230:229320,CN(C)Cc1ccc(-c2cc(C#N)cs2)c(-c2cc(F)cs2)c1,ZYPJUXYGHZZQCI-UHFFFAOYSA-N
+rxn:5:193681:223466:229216,CN1CCC(Oc2cc(-c3cn[nH]c3)ccc2-c2ccccc2F)CC1,OXKLFTUHMBWAKK-UHFFFAOYSA-N
+rxn:5:193681:229227:223464,CN1CCC(Oc2cc(-c3csc(C#N)c3)ccc2-c2cc[nH]c2)CC1,RSTBXAYSXYJHCH-UHFFFAOYSA-N
+rxn:5:193681:229271:229320,COc1cc(-c2ccc(-c3cc(F)cs3)c(OC3CCN(C)CC3)c2)sn1,CNIGFCXEQZWVMM-UHFFFAOYSA-N
+rxn:5:193681:229338:229140,CN1CCC(Oc2cc(-c3ccns3)ccc2-c2cccc(F)c2F)CC1,OVASHLOSRLAMBV-UHFFFAOYSA-N
+rxn:5:193681:229342:229330,CN1CCC(Oc2cc(-c3cnsc3)ccc2-c2ccsc2)CC1,VZEQBIBOCJOBNP-UHFFFAOYSA-N
+rxn:5:195075:223311:229320,O=[N+]([O-])c1cc(-c2cc(F)cs2)ccc1-c1cccc(C2CNC2)c1,UHRBDCMJKQEJHV-UHFFFAOYSA-N
+rxn:5:198084:229313:223312,Cc1cc(-c2cnc(-c3ccc(C4CNC4)cc3)s2)sn1,NSSCPCGXRRVRRN-UHFFFAOYSA-N
+rxn:5:198085:223311:229317,Fc1ccc(-c2cnc(-c3cccc(C4CNC4)c3)s2)s1,FCLJMASDDYXDDL-UHFFFAOYSA-N
+rxn:5:198085:223311:229330,c1cc(-c2ncc(-c3ccsc3)s2)cc(C2CNC2)c1,MSGCLAHWEGNMCF-UHFFFAOYSA-N
+rxn:5:198088:223200:229320,Fc1csc(-c2csc(-c3ccc(C4CCNC4)cc3)n2)c1,XIWIETALSUEDCO-UHFFFAOYSA-N
+rxn:5:198120:223200:229317,Fc1ccc(-c2ccc(-c3ccc(C4CCNC4)cc3)cn2)s1,OWMXATJMEHOVPC-UHFFFAOYSA-N
+rxn:5:198120:223311:229217,Fc1ccc(-c2ccc(-c3cccc(C4CNC4)c3)cn2)cc1,XEPULVITMUIYEZ-UHFFFAOYSA-N
+rxn:5:198120:223311:229330,c1cc(-c2ccc(-c3ccsc3)nc2)cc(C2CNC2)c1,SFWFKBHPONOGAS-UHFFFAOYSA-N
+rxn:5:198122:229237:223311,CSc1cc(-c2ccc(-c3cccc(C4CNC4)c3)cn2)cs1,CQZJDROPGQYIJU-UHFFFAOYSA-N
+rxn:5:198230:223312:229331,Cc1cc(-c2cccs2)ncc1-c1ccc(C2CNC2)cc1,BFSRIDOCXHWOOV-UHFFFAOYSA-N
+rxn:5:198418:229330:223312,c1cc(-c2ccsc2)c2onc(-c3ccc(C4CNC4)cc3)c2c1,APPCAJDDFKNZDL-UHFFFAOYSA-N