Added 35 molecules from epoch 21609 for Q01959

Q01959_molecules.csv

@@ -26236,3 +26236,38 @@ rxn:2:87208:169305,COCCONC(C)c1ccc(-c2cc3ccccc3o2)cc1C,HCCFYIMXCPTJBQ-UHFFFAOYSA
 rxn:2:89554:90126,CC(NCC#Cc1cnc2nc[nH]c2c1)c1ccc(-c2ccsc2)cn1,BJIBIBYSRDBONT-UHFFFAOYSA-N
 rxn:2:89971:107408,CC(NCCC1CC1c1cnc2cc[nH]c2c1)c1ccc(-c2ccsc2)s1,HZTQLKXPMYQNIX-UHFFFAOYSA-N
 rxn:2:99048:170235,Cc1cccc(-c2ccc3oc(C(C)NC4CCC(S(C)(=N)=O)C4)cc3c2)c1,HGGVVEDLPYQNSR-UHFFFAOYSA-N
+rxn:1:45220:12105,Cc1cn(CCC#Cc2cc(Br)ccc2Cl)nn1,YJFBWKLLGPCAPN-UHFFFAOYSA-N
+rxn:1:45225:23328,O=C(Cl)c1cn(CCC#Cc2cc(Cl)ccc2Br)nn1,RFEXJNATIYJXAU-UHFFFAOYSA-N
+rxn:1:45229:12105,Cc1cn(CCC#Cc2cc(Br)ccc2Br)nn1,HVQZFXOCVHEGQO-UHFFFAOYSA-N
+rxn:1:45229:23328,O=C(Cl)c1cn(CCC#Cc2cc(Br)ccc2Br)nn1,FHLLTOKXOQPFAX-UHFFFAOYSA-N
+rxn:2:100287:171231,CCOc1cc(C)c(-c2csc(C(C)NCC3CC3c3nc[nH]n3)c2)cc1C,WJRJVFHMPHEIHS-UHFFFAOYSA-N
+rxn:2:109567:87722,CCOc1ccc(C(C)NCc2cn[nH]n2)cc1C,SKNLGGANTRYBDF-UHFFFAOYSA-N
+rxn:2:109607:172631,CCC(NCCCCC1N=N1)c1cccc(-c2cc3cc(C)ccc3s2)c1,METCQDKHUCAQCE-UHFFFAOYSA-N
+rxn:2:112728:135410,CCCCC(Cc1ccc(C)c(C)c1)NCCc1cc[nH]n1,GJNJRHNSBURFAU-UHFFFAOYSA-N
+rxn:2:117045:169412,Cc1csc(-c2ccc(CCC(C)NCC#Cc3cc[nH]n3)cc2)c1,XMXLNHFZSVZBSX-UHFFFAOYSA-N
+rxn:2:124198:160916,C(#Cc1ccsc1)CCNC1CCN(c2ccc3sccc3c2)CC1,VMXVETFLJGZNMH-UHFFFAOYSA-N
+rxn:2:125425:94314,Cc1cccc2c(C(C)N[C@H]3CC[C@H](CN4CCOCC4)CC3)csc12,IKJVNFHYWXWVJQ-YIQCUVMYSA-N
+rxn:2:125751:170892,CC(NCC#Cc1cscn1)c1ccc(-c2cc3sccc3s2)s1,ZMSACOHJEIDZDH-UHFFFAOYSA-N
+rxn:2:127785:169412,Cc1csc(-c2ccc(CCC(C)NCc3ccco3)cc2)c1,NJVUTTXXECKPRO-UHFFFAOYSA-N
+rxn:2:128000:172105,CCCC(NCCCC1N=N1)c1ccc(-c2nc3ccc(C)cc3s2)cc1,IPLMTWAATLBHEQ-UHFFFAOYSA-N
+rxn:2:130128:70192,Cc1ccc(OCCC(C)Nc2cnsc2)c(C)c1,DGKJZZGCTCYAHF-UHFFFAOYSA-N
+rxn:2:131733:172702,Cc1ccc(C)c(-c2ccc(CCC(C)NCc3nc(=N)[nH][nH]3)cc2)c1,NXBBLARPVFFGGX-UHFFFAOYSA-N
+rxn:2:132002:115754,CSCC(NC1CC(C2CCN(C)CC2)C1)c1ccc2c(c1)CCCS2,MKSCZTMFPUBIIE-UHFFFAOYSA-N
+rxn:2:134698:101671,Cc1nc2c([nH]1)CCC(NC(C)c1ccc(-c3cccs3)cc1)C2,IXQKKFAGDQUTCA-UHFFFAOYSA-N
+rxn:2:135134:79735,COc1ccc(C(C)NC2CCCC(C3CCCC3)C2)c(C)c1C,UJYOEMKMZFRORS-UHFFFAOYSA-N
+rxn:2:135338:173089,CSc1cc(NC(C)c2ccc(-c3cc4sccc4s3)cc2C)cnn1,DDALBQBYLZMFNI-UHFFFAOYSA-N
+rxn:2:139991:171492,CCCC(NC(C)c1ccc(-c2cc3ccccc3s2)cc1)c1nnn[nH]1,QTTYSECDDISJCB-UHFFFAOYSA-N
+rxn:2:141397:139599,CNC(C)c1ccc(-c2ccc(C)cc2)s1,BLMKXUSPLLSNHN-UHFFFAOYSA-N
+rxn:2:141397:149066,CNC(Cn1ccnc1)c1ccc2ccccc2c1,DHGCKDHZEHIZMG-UHFFFAOYSA-N
+rxn:2:141397:66800,CNC(C)c1cccc(-c2ccsc2)c1,MLDXAKNZLFXKNO-UHFFFAOYSA-N
+rxn:2:159121:142183,N=CCNc1ccc2c(c1)Oc1ccccc1O2,FYTRRMZESSWNMX-UHFFFAOYSA-N
+rxn:2:168712:142183,N=CCNc1ccc2nc(-c3ccccc3)sc2c1,QCXWBUMVSBZSQN-UHFFFAOYSA-N
+rxn:2:70859:168058,COc1ccc2c(c1)CCc1cc(C(C)NCC(C)CSc3nnc(C)o3)ccc1-2,ADCHUHHRJHEHRT-UHFFFAOYSA-N
+rxn:2:76896:96187,F[C@@H]1C[C@H](c2ccccc2)CCC1NCCC#Cc1cccnc1,NNDDGOCEXDBDEO-OSBQEZSISA-N
+rxn:2:79379:170913,Cc1cc(-c2cc3ccccc3s2)ccc1C(C)NCCCOc1ncccn1,KIFJHRIHUVRLEN-UHFFFAOYSA-N
+rxn:2:84487:170913,Cc1cc(-c2cc3ccccc3s2)ccc1C(C)NC1CCN(S(C)(=N)=O)CC1,QFXILWVUSDZCBD-UHFFFAOYSA-N
+rxn:2:86811:85327,Cc1ccc(-c2cc(C(C)NC3CCC(CC4CCN(C)C4)CC3)cs2)cc1,NJGAOADSMUXIDD-UHFFFAOYSA-N
+rxn:2:86965:172375,CC(NC[C@@H]1CCO1)c1ccc(-c2cc3ccccc3o2)c2c1OCO2,RMEZTXVSFJJZAX-WUJWULDRSA-N
+rxn:2:92382:170999,COc1cc(-c2cc3ccccc3s2)ccc1C(C)Nc1cn[nH]c1,QITJCSBNXWQGMP-UHFFFAOYSA-N
+rxn:2:92388:169305,CO[C@@H]1C[C@H]1NC(C)c1ccc(-c2cc3ccccc3o2)cc1C,NXNHODLLXMCQLG-HGYXGMMLSA-N
+rxn:2:99084:130267,CC(NCCCc1c[nH]nn1)c1ccc2ccsc2c1,QIIUSPMTIRUBTF-UHFFFAOYSA-N