Added 43 molecules from epoch 20235 for Q01959

Q01959_molecules.csv

@@ -17543,3 +17543,46 @@ rxn:1:59349:3960,CC(C)c1nc2scc(-c3ccc(-c4ccccc4)cc3)c2c(=O)n1Cc1cn(CCCCc2c[nH]c3
 rxn:1:59349:8985,Cc1nn(-c2ccc(Cl)cc2)c2ncc(C(=O)Nc3cccc(-c4cn(CCCCc5c[nH]c6ncnc(N)c56)nn4)c3)cc12,QQBYXQJFITTWGL-UHFFFAOYSA-N
 rxn:1:59506:5070,COc1cccc(-c2c(C)sc3nc(-c4ccncc4)n(Cc4cn(CCCCc5ccc6ncnc(N)c6c5)nn4)c(=O)c23)c1,DAKUWZUVKXAIPQ-UHFFFAOYSA-N
 rxn:1:60118:22881,COC(=O)c1ccc(-n2cc(-c3cncc(-n4nc(C(F)F)c(Br)c4I)c3)nn2)c(C)c1,RILWZFREENSCBS-UHFFFAOYSA-N
+rxn:1:40568:22681,Cc1nn(-c2cncc(-c3cn(CC=Cc4ccc(S(N)(=O)=O)s4)nn3)c2)c(I)c1I,YDDBCOGOAVZIEZ-UHFFFAOYSA-N
+rxn:1:41872:32789,Cc1ccc(C(=O)Nc2cncc(-c3cn(CC=Cc4c(N)ncnc4Cl)nn3)c2)cc1I,ZSKWTIDZLZXVIK-UHFFFAOYSA-N
+rxn:1:42238:13358,Cc1ccc(I)cc1C(=O)Nc1ccc(-c2cn(CC#Cc3cnc(O)nc3O)nn2)cc1,ORFHXSJCZCNRPE-UHFFFAOYSA-N
+rxn:1:42264:22870,Cc1cc(Cl)cnc1C#CCn1cc(-c2cncc(-n3nc(C(F)F)c(I)c3N)c2)nn1,BRRFBWGRVAQFIR-UHFFFAOYSA-N
+rxn:1:42266:32789,Cc1ccc(C(=O)Nc2cncc(-c3cn(CC#Cc4ncc(F)cc4C)nn3)c2)cc1I,FOJYAXIGJMKYMM-UHFFFAOYSA-N
+rxn:1:42277:32789,Cc1ccc(C#CCn2cc(-c3cncc(NC(=O)c4ccc(C)c(I)c4)c3)nn2)c(Cl)n1,ORYKNROGLQDDEJ-UHFFFAOYSA-N
+rxn:1:42360:36568,COc1cc(F)c(F)cc1-c1cc(F)cc(-c2cn(CC#Cc3cnc(Cl)nc3N)nn2)c1,ZVOPFGYSBJPNNX-UHFFFAOYSA-N
+rxn:1:43710:32513,Nc1ncnc2[nH]cc(C#CCn3cc(Cn4c(Br)nc5c(Br)c(Br)c(Br)c(Br)c54)nn3)c12,TUTRBKRLZMYYOV-UHFFFAOYSA-N
+rxn:1:43732:22813,O=C(O)c1cc(C#CCn2cc(-c3cncc(-n4nc(-c5ccccc5)c(Cl)c4Cl)c3)nn2)c(F)cc1F,QVEWNKKMOKZGHF-UHFFFAOYSA-N
+rxn:1:44237:22880,Nc1cc(C#CCCn2cc(-c3cncc(-n4nc(C(F)F)cc4I)c3)nn2)cnc1N,PSFIEAATCJRWGT-UHFFFAOYSA-N
+rxn:1:44614:12827,Cc1cc(F)c(Br)cc1NC(=O)c1ccc(-c2cn(CCC#Cc3cnc4[nH]ccc4n3)nn2)cc1,XTXBQMJSHLQFIK-UHFFFAOYSA-N
+rxn:1:45036:7853,Cn1cncc1[C@@](O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(-c3cn(CCC#Cc4ccc(-c5cc[nH]n5)cc4)nn3)c1)cc(=O)n2C,TYWBDKLAFFMDJJ-HUESYALOSA-N
+rxn:1:45082:12834,Nc1ncnc2ccc(C#CCCn3cc(-c4ccc(C(=O)Nc5cc(F)ccc5Br)cc4)nn3)cc12,OLAMFAHKMWOFAE-UHFFFAOYSA-N
+rxn:1:45084:13010,Nc1ccc2nccnc2c1C#CCCn1cc(-c2ccc(NC(=O)c3cc(F)ccc3Br)cc2)nn1,SHIHPBQWDIKTHN-UHFFFAOYSA-N
+rxn:1:45084:13614,Cc1ccc(C(=O)Nc2ccc(-c3cn(CCC#Cc4c(N)ccc5nccnc45)nn3)cc2)cc1Cl,LGBYADYRELJWAG-UHFFFAOYSA-N
+rxn:1:45278:9579,O=C(Nc1cccc(-c2cn(CCC#Cc3ccnc4[nH]ccc34)nn2)c1)c1c[nH]c2c(I)cc(Br)cc2c1=O,PMRNTFRAZKWOGX-UHFFFAOYSA-N
+rxn:1:45279:36176,CC(C)Oc1ncc(-c2cccc(-c3cn(CCC#Cc4c[nH]c5ncnc(N)c45)nn3)c2F)cn1,LIDLRMAESXSXHP-UHFFFAOYSA-N
+rxn:1:45282:34625,Cc1cc(I)ccc1C(=O)Nc1ccc(-c2cn(CCC#Cc3c[nH]c4ncc(Br)cc34)nn2)nc1,QDFVIAYHJSYHSF-UHFFFAOYSA-N
+rxn:1:45407:10701,Cc1ncc(C=CCCn2cc(-c3cccc(NC(=O)c4c[nH]c5ccc(Cl)cc5c4=O)c3)nn2)cn1,NIVFWIUOJYBOIW-UHFFFAOYSA-N
+rxn:1:45472:12866,O=C(Nc1ccc(I)cc1F)c1ccc(-c2cn(CCC=Cc3ncccc3O)nn2)cc1,UYDFQUWUUSGJFJ-UHFFFAOYSA-N
+rxn:1:46142:22919,Brc1c(I)c(C2CNC2)nn1-c1cncc(-c2cn(CCC=Cc3cnc4[nH]ncc4c3)nn2)c1,MJLXYYJJJZMEOQ-UHFFFAOYSA-N
+rxn:1:46145:13438,Cc1cc(Br)c(F)cc1NC(=O)c1ccc(-c2cn(CCC=Cc3cnc4cn[nH]c4c3)nn2)cc1,AGEUNACLMZAMPY-UHFFFAOYSA-N
+rxn:1:47369:23495,Nc1c(-c2cn(CC(O)C(O)c3cc(Cl)c(O)cc3Cl)nn2)sc2ncc(-c3cccc(F)c3)cc12,PILURTTXGDQTNG-UHFFFAOYSA-N
+rxn:1:47576:10701,O=C(Nc1cccc(-c2cn(CC(O)C(O)c3cccc4[nH]ncc34)nn2)c1)c1c[nH]c2ccc(Cl)cc2c1=O,WRPVDCNAWPVOED-UHFFFAOYSA-N
+rxn:1:47577:7853,Cn1cncc1[C@@](O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(-c3cn(CC(O)C(O)c4ccc5scnc5c4)nn3)c1)cc(=O)n2C,XOTZLJHZWCQIQL-YYCTWCOUSA-N
+rxn:1:48040:23507,Nc1ncnc2ccc(C(O)C(O)Cn3cc(-c4sc5nccc(-c6ccc([N+](=O)[O-])cc6)c5c4N)nn3)cc12,XTWCSWDUGPOXEG-UHFFFAOYSA-N
+rxn:1:48295:17542,Cc1ccccc1-n1nc(-c2cn(CC(O)C(O)c3cc(Br)cc(Br)c3O)nn2)cc1C,WKLWAGBPPPLIRP-UHFFFAOYSA-N
+rxn:1:48953:13637,O=C(Nc1ncc(I)cn1)c1ccc(-c2cn(CCC(O)C(O)c3cnc4[nH]ccc4c3)nn2)cc1,NTEVOEFEZHSVBV-UHFFFAOYSA-N
+rxn:1:48973:22701,CCc1nn(-c2cncc(-c3cn(CCC(O)C(O)c4cccc5[nH]ccc45)nn3)c2)c(I)c1I,RBZCPJZADYXOLN-UHFFFAOYSA-N
+rxn:1:49022:36168,COc1ccc(-c2cncc(-c3cn(CCC(O)C(O)c4ccc5cnccc5c4)nn3)c2)c(F)c1F,PKGDCEHMJVBCQT-UHFFFAOYSA-N
+rxn:1:49130:23598,Nc1cccc2c(C(O)C(O)CCn3cc(COc4cnnc5cc(Br)ccc45)nn3)cccc12,DDRWBTCOLDJGSM-UHFFFAOYSA-N
+rxn:1:50529:22871,FC(F)c1cc(Cl)n(-c2cncc(-c3cn(CC4C(c5cnc6[nH]ncc6c5)C4(F)F)nn3)c2)n1,OSFRUDPCUPKRHN-UHFFFAOYSA-N
+rxn:1:50532:22871,FC(F)c1cc(Cl)n(-c2cncc(-c3cn(CC4C(c5cnc6cn[nH]c6c5)C4(F)F)nn3)c2)n1,QDVSJBINRXTIPS-UHFFFAOYSA-N
+rxn:1:52355:23538,Nc1c(-c2cn(CCC3CC3c3c(Cl)nc(Cl)nc3Cl)nn2)oc2c(I)cncc12,FPZWGRPVIJAHKJ-UHFFFAOYSA-N
+rxn:1:52592:12866,O=C(Nc1ccc(I)cc1F)c1ccc(-c2cn(CCC3CC3c3n[nH]c4ncccc34)nn2)cc1,FROXMBUBZZNWRX-UHFFFAOYSA-N
+rxn:1:53434:23545,Nc1cnccc1C1C(CCn2cc(-c3oc4ncc(-c5ccc(Cl)cc5)cc4c3N)nn2)C1(F)F,DDRHPXYEDBFXPA-UHFFFAOYSA-N
+rxn:1:56300:23493,Nc1c(-c2cn(CC3CC3c3cccc(S(N)(=O)=O)c3)nn2)sc2ncc(-c3cccc(Br)c3)cc12,VDINGWBZZHRICU-UHFFFAOYSA-N
+rxn:1:56934:23545,Nc1c(-c2cn(CC3CC3c3ccc4c(O)c(C(=O)O)cnc4c3)nn2)oc2ncc(-c3ccc(Cl)cc3)cc12,SQHHWIBWIILRPU-UHFFFAOYSA-N
+rxn:1:57549:22883,Nc1nnc(Cl)cc1CCCn1cc(-c2cncc(-n3nc(C(F)F)c(I)c3I)c2)nn1,KZCRHAVCDFJIPU-UHFFFAOYSA-N
+rxn:1:59325:12827,Cc1cc(F)c(Br)cc1NC(=O)c1ccc(-c2cn(CCCCc3cnc4nc[nH]c4c3)nn2)cc1,GYIGQVKBGQFMNE-UHFFFAOYSA-N
+rxn:1:59366:22920,Nc1nc2cc(CCCCn3cc(-c4cncc(-n5nc(C6CNC6)cc5I)c4)nn3)ccc2o1,WCXQJUCMOQNNAI-UHFFFAOYSA-N
+rxn:1:61660:5194,Cc1cc2nc3sc(=Cc4cc(I)cc(I)c4OCc4cn([C@H](C)c5cccnc5)nn4)c(=O)n3c2cc1C,QONPJSUQAPHMLE-QGZVFWFLSA-N
+rxn:1:61985:22867,Nc1cc(C(F)F)nn1-c1cncc(-c2cn(-c3ccsc3C3SCCCS3)nn2)c1,IMWKAKORFYXDCP-UHFFFAOYSA-N