Added 34 molecules from epoch 21682 for P23977

P23977_molecules.csv

@@ -43232,3 +43232,37 @@ rxn:2:88848:96010,CC(NCCC#Cc1ncccn1)c1ccc(-c2ccsc2)cc1,IWTVOGBBPVVJPJ-UHFFFAOYSA
 rxn:2:90290:142183,Cc1cccc(C#CCNCC=N)c1,TVXKTMRXYMNXIS-UHFFFAOYSA-N
 rxn:2:92382:170813,CCC(Nc1cn[nH]c1)c1ccc(-c2cc3cc(OC)ccc3o2)cc1,LZPVYDZGEIFLGA-UHFFFAOYSA-N
 rxn:2:92749:172893,Cc1cc(-c2ccc3sccc3c2)ccc1C(C)Nc1nnn[nH]1,LJNLYUXDIWUUEA-UHFFFAOYSA-N
+rxn:1:41869:39124,CNCc1cn(-c2ccc(F)c(Br)c2)nn1,NWHGTVNXHTVZIU-UHFFFAOYSA-N
+rxn:1:58690:3433,OCC=Cc1cn(CCCCc2cc(Br)cs2)nn1,FLEBISMJHFEPMD-UHFFFAOYSA-N
+rxn:2:100318:146828,CSCC(Nc1cn[nH]c(=O)n1)c1ccc2cc(C)ccc2c1,YAAIEDMZHFKTQK-UHFFFAOYSA-N
+rxn:2:102928:152446,CC(Nc1ccon1)c1ccc(C#Cc2ccccc2)cc1,KLIOXXKAXFMUFK-UHFFFAOYSA-N
+rxn:2:107485:142183,CCC(C)[C@@H](NCC=N)c1ccc2ccccc2c1,AKWQBTBHTLDKFC-LRHAYUFXSA-N
+rxn:2:108186:169412,Cc1csc(-c2ccc(CCC(C)NCCCCc3cnc4nc[nH]c4c3)cc2)c1,PWPGTLUNJKUHOL-UHFFFAOYSA-N
+rxn:2:110352:152446,CCNC(C)c1ccc(C#Cc2ccccc2)cc1,XTHYXOVQDGKVNU-UHFFFAOYSA-N
+rxn:2:113732:151136,CC(NCC#Cc1ccc2cc[nH]c2c1)c1cc2cc(-c3cc[nH]c3)ccc2o1,FKSLBUKOANBHIJ-UHFFFAOYSA-N
+rxn:2:118433:172189,Cc1cc(-c2ccc(C3CCC(NCCCc4ncc[nH]4)CC3)cc2)cs1,KDNZHRGONJHMTR-UHFFFAOYSA-N
+rxn:2:120365:91582,Cc1ccc(C2CC(NCCC#Cc3ccoc3)C2)cc1,PPFNWPPCQOOWRK-UHFFFAOYSA-N
+rxn:2:120564:173016,CC(NCCCc1nnco1)c1cc(-c2ccc(-c3ccco3)cc2)cs1,XPKZXGKIXLMYAU-UHFFFAOYSA-N
+rxn:2:125032:142183,Cc1ccc(C(NCC=N)c2cc3c(s2)CCC3)s1,AIINQUVPTJALFG-UHFFFAOYSA-N
+rxn:2:128825:96010,CC(NCCCc1cc[nH]c1)c1ccc(-c2ccsc2)cc1,CGZSFKKKVMODIB-UHFFFAOYSA-N
+rxn:2:131003:78104,CSCC(NC1Cc2cn[nH]c2C1)c1ccc(C)cc1C,RYXBJUCRWZGXOF-UHFFFAOYSA-N
+rxn:2:134698:138958,CC(NC1CC(C#Cc2cn[nH]c2)C1)c1ccc(-c2cccs2)cc1,QPQBHGBTJUULIM-UHFFFAOYSA-N
+rxn:2:139209:173095,CC(Nc1n[nH]c(=O)[nH]1)c1ccc2sc3ccccc3c2c1,LAJFIPHEXYUGBO-UHFFFAOYSA-N
+rxn:2:140074:170813,CCO[C@H]1C[C@@H](NC(CC)c2ccc(-c3cc4cc(OC)ccc4o3)cc2)C1,LENRQZVDEMKVEO-KLEYFOKZSA-N
+rxn:2:140908:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCc3cnoc3)c2)cc1C,KNYWJZZQCGLVMJ-UHFFFAOYSA-N
+rxn:2:141397:167133,CNC1CC(c2ccc3ccccc3c2)CC1C,DAVVRRPSQHQMTM-UHFFFAOYSA-N
+rxn:2:141397:171956,CNC(C)c1csc(-c2ccc(-c3ccccn3)cc2)c1,FITRWJHQTQZEAE-UHFFFAOYSA-N
+rxn:2:167169:76379,CC(NCC#Cc1ccc2[nH]c(=O)sc2c1)c1ccc(-c2cscn2)cc1,GODUGEOUMJWXRD-UHFFFAOYSA-N
+rxn:2:171783:142183,CCC[C@@H](NCC=N)c1c2ccccc2cc2ccccc12,JVZVJAWQYAVAIP-LJQANCHMSA-N
+rxn:2:67200:169412,Cc1csc(-c2ccc(CCC(C)NCC3CC3c3cn(C)nc3C)cc2)c1,DMKXDTDWVUCSBK-UHFFFAOYSA-N
+rxn:2:69022:171180,CCC(NCCCCc1ncc[nH]1)c1ccc(-c2cc3cc(C)ccc3s2)cc1,XAIQWVZNAKFHCM-UHFFFAOYSA-N
+rxn:2:70378:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCCc3cc[nH]c3)c2)cc1C,SYHKRMBTALTPOA-UHFFFAOYSA-N
+rxn:2:71188:170060,Cc1cc(-c2ccc(CCC(C)NC3CCN(c4ccncc4)CC3)cc2)cs1,PTJXZEZYKAEXJS-UHFFFAOYSA-N
+rxn:2:76236:169412,Cc1csc(-c2ccc(CCC(C)NC3CCC(CS(=O)(=O)C(C)C)C3)cc2)c1,IGOZNAANHOIGKO-UHFFFAOYSA-N
+rxn:2:76360:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCc3n[nH]nc3C)c2)cc1C,UNMKUMMLZGMHOV-UHFFFAOYSA-N
+rxn:2:77780:170060,Cc1cc(-c2ccc(CCC(C)NCCC#Cc3nc[nH]n3)cc2)cs1,JZRUIKNCPWZKHK-UHFFFAOYSA-N
+rxn:2:83604:169729,CCC(NCC1N=N1)c1ccc(-c2cc3cc(OC)ccc3o2)cc1C,KHBXTNLRGGWBCG-UHFFFAOYSA-N
+rxn:2:87971:110334,Cc1ccc2cc(C(C)N[C@H]3CC[C@H](CCN(C)C)CC3)ccc2c1,ULDFJBSOUTZAEM-OVLYYZPWSA-N
+rxn:2:92382:159185,C=C=CC(Nc1cn[nH]c1)c1ccc2ccccc2c1,ZYIVXWNQBAKPRD-UHFFFAOYSA-N
+rxn:2:93644:159185,C=C=CC(Nc1cn[nH]n1)c1ccc2ccccc2c1,BJGQIDLLMJQEHW-UHFFFAOYSA-N
+rxn:2:97543:156984,COc1csc(-c2ccc(C(C)NCCc3nnn[nH]3)c(C)c2)c1,XRLMLHMTBWTIEE-UHFFFAOYSA-N