Added 29 molecules from epoch 21706 for P23977

P23977_molecules.csv

@@ -44047,3 +44047,32 @@ rxn:2:75442:170668,CC#CCCNC(C)c1csc(-c2ccc(-c3ccco3)cc2)c1,AALNMHGQEDCZAO-UHFFFA
 rxn:2:75840:111364,CC(NCC#Cc1ccsc1)c1cnc2sccc2c1,RFZKWJDOOWBCHK-UHFFFAOYSA-N
 rxn:2:77780:169412,Cc1csc(-c2ccc(CCC(C)NCCC#Cc3nc[nH]n3)cc2)c1,VLDJDNWLNKQHJQ-UHFFFAOYSA-N
 rxn:2:98283:170060,COc1ccc(OCCNC(C)CCc2ccc(-c3csc(C)c3)cc2)cn1,UAYKLOFSMDLWKU-UHFFFAOYSA-N
+rxn:1:61827:28956,NCCCCc1ccc(-c2cn(-c3ccc(I)c(Br)c3)nn2)cc1,WBJXXLKBAWITQI-UHFFFAOYSA-N
+rxn:2:104688:172375,CC(NC1CC(CCS(C)(=N)=O)C1)c1ccc(-c2cc3ccccc3o2)c2c1OCO2,RORPPHBMWBJOMI-UHFFFAOYSA-N
+rxn:2:109042:169412,CCC(Cc1nc[nH]c1C)NC(C)CCc1ccc(-c2cc(C)cs2)cc1,KEEXQQNIHQRBTI-UHFFFAOYSA-N
+rxn:2:114506:169594,CC(Nc1cc(=O)[nH][nH]1)c1ccc2c(ccc3ccccc32)c1,QORAUFIITBTXRF-UHFFFAOYSA-N
+rxn:2:116581:142183,C[C@H](NCC=N)c1cc2ccccc2o1,BUOQKASFHPDZQW-VIFPVBQESA-N
+rxn:2:117594:170235,Cc1cccc(-c2ccc3oc(C(C)NCCC[C@H]4CN(C)CCO4)cc3c2)c1,NLVGKOAXERKDPF-BVHINDKJSA-N
+rxn:2:123785:170060,Cc1cc(-c2ccc(CCC(C)NCCCCc3ccc4[nH]cnc4c3)cc2)cs1,IXNSOKXBRMWNLD-UHFFFAOYSA-N
+rxn:2:137057:170060,Cc1cc(-c2ccc(CCC(C)NCC3CC3C3CCOC3)cc2)cs1,ZVWNLJYXEYPRQI-UHFFFAOYSA-N
+rxn:2:139991:169414,CCCC(NC(C)c1cc2cc(-c3ccc(C)o3)ccc2o1)c1nnn[nH]1,XAUSTPDAEVLGAL-UHFFFAOYSA-N
+rxn:2:140614:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3cc4n(n3)CCC4)cc2)cs1,FPSUPNLYDCXAJG-UHFFFAOYSA-N
+rxn:2:141381:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NC1CN(c2ccncn2)C1,CHRNRGHHGHJHTN-UHFFFAOYSA-N
+rxn:2:141397:151175,CNC(Cc1ccc(C)c(C)c1)c1ncccn1,BUOUIVOPKOCDBU-UHFFFAOYSA-N
+rxn:2:68737:169115,Cc1ccc(-c2ccc(C3CCC(NCCC#Cc4cc[nH]n4)CC3)cc2)s1,GORMAZUQSHRIII-UHFFFAOYSA-N
+rxn:2:70350:169412,Cc1csc(-c2ccc(CCC(C)NCC(C)c3ncco3)cc2)c1,QPSLATLKUYNNRE-UHFFFAOYSA-N
+rxn:2:71006:172751,Cc1cc(-c2ccc(-c3cccs3)s2)ccc1C(C)Nn1cn[nH]c1=O,UMSFVVBTXKLFSD-UHFFFAOYSA-N
+rxn:2:75557:171426,CCC(NCCCc1nnn[nH]1)c1ccc(-c2cc(C)c(OC)cc2C)s1,MAOZPOLLYBKCQW-UHFFFAOYSA-N
+rxn:2:76440:169851,CSc1ccc(-c2ccc(C(C)NCCCCc3ccc(C)nn3)cc2)cc1,HMFYJFPTSRXGRS-UHFFFAOYSA-N
+rxn:2:78535:111147,CC(NCC#Cc1cnc2cn[nH]c2c1)c1ccc(-c2nccs2)cc1,BPKPBDFSLBYNBG-UHFFFAOYSA-N
+rxn:2:78571:171602,CC(Nc1cc[nH]c(=S)c1)c1ccc(-c2ccc3ncccc3c2)cc1,HHCMOBVDVADXIT-UHFFFAOYSA-N
+rxn:2:82511:169412,Cc1csc(-c2ccc(CCC(C)NCCC#Cc3ccc4[nH]cnc4c3)cc2)c1,YFIRUZFACMVBOH-UHFFFAOYSA-N
+rxn:2:82757:171231,CCOc1cc(C)c(-c2csc(C(C)NCC(C)COC3COC3)c2)cc1C,ONBWXLPGSVCUGH-UHFFFAOYSA-N
+rxn:2:86811:108959,CC(NC1CCC(CC2CCN(C)C2)CC1)c1ccc(-c2cccs2)cc1,NJXJEWKYGLSOGJ-UHFFFAOYSA-N
+rxn:2:86811:109025,Cc1csc(-c2cc(C(C)NC3CCC(CC4CCN(C)C4)CC3)cs2)c1,DZQSOKMKKPXDMI-UHFFFAOYSA-N
+rxn:2:87255:170060,Cc1cc(-c2ccc(CCC(C)NCCCC3CN(C)C3)cc2)cs1,NRUPRIZYSLJLNO-UHFFFAOYSA-N
+rxn:2:92382:146828,CSCC(Nc1cn[nH]c1)c1ccc2cc(C)ccc2c1,NAQBHFPIOFAYTN-UHFFFAOYSA-N
+rxn:2:93499:91563,Cc1noc(CCNC(C)c2ccc(-c3ccco3)cc2C)n1,UWPNCJSJAZKTFT-UHFFFAOYSA-N
+rxn:2:96388:169412,Cc1csc(-c2ccc(CCC(C)NCCC#Cc3nccs3)cc2)c1,VHFIXFPSFWVEJW-UHFFFAOYSA-N
+rxn:2:98374:169666,Cc1nc[nH]c1CCCCNC(C)c1cc(-c2ccc(-c3cccnc3)cc2)cs1,VYWDJHMKSOZEHX-UHFFFAOYSA-N
+rxn:2:98374:170235,Cc1cccc(-c2ccc3oc(C(C)NCCCCc4[nH]cnc4C)cc3c2)c1,MIHVCBXSCPVOLU-UHFFFAOYSA-N