Added 33 molecules from epoch 20788 for P23977

P23977_molecules.csv

@@ -41145,3 +41145,36 @@ rxn:2:88821:99490,Cc1sccc1C#CCCNC(C)c1cnc2nc[nH]c2c1,DPEDBKUCRKZLKV-UHFFFAOYSA-N
 rxn:2:90493:118131,Cc1cnc(C2CC(Nc3cnc4[nH]cnc4c3C)C2)s1,QGDNAWQDUQESFF-UHFFFAOYSA-N
 rxn:2:92106:102373,Cc1cc2[nH]cc(NC3CC(c4ccc(C)s4)C3)c2cn1,LEFIRKNHGZLNGM-UHFFFAOYSA-N
 rxn:2:94577:71323,CC(Nc1cc(C2CC2C)n[nH]1)c1ccc2nscc2c1,ZJBLJLDFYUKVHY-UHFFFAOYSA-N
+rxn:1:40132:28417,Cc1nc(Cl)ccc1C=CCn1cc(CC(C)I)nn1,KONGAJJCULNWST-UHFFFAOYSA-N
+rxn:1:40930:20555,CC(C)(CN)Cn1cc(-c2cnc(Cl)c(I)c2N)nn1,ORIKTAYAVJKFKV-UHFFFAOYSA-N
+rxn:1:41774:31279,Nc1c(-c2cn(CC=Cc3cc(I)c[nH]3)nn2)cnc(Cl)c1F,OWUXJSQODBDBMD-UHFFFAOYSA-N
+rxn:1:41917:31836,Cc1cc(C#N)ncc1-c1cn(CC#Cc2ccsc2C)nn1,WUBZMOLAYJRLKH-UHFFFAOYSA-N
+rxn:1:41917:32044,Cc1cc(-c2cn(CC#Cc3ccsc3C)nn2)ccc1CN,VPPDIQFVCOAHNG-UHFFFAOYSA-N
+rxn:1:41919:31279,Cc1ccc(C#CCn2cc(-c3cnc(Cl)c(F)c3N)nn2)s1,BVBHUKHVKSHVLM-UHFFFAOYSA-N
+rxn:1:42184:1429,Cc1sc(-c2cn(CC#Cc3cnc(N)c(N)n3)nn2)cc1Br,JMVLYIFZKUBYIL-UHFFFAOYSA-N
+rxn:1:42186:351,COc1ccc(-c2cn(CC#Cc3cnc(Cl)cc3N)nn2)s1,FGBOHBXBHFUATC-UHFFFAOYSA-N
+rxn:1:48822:37822,CSc1ncc(-c2cn(Cc3cnc(Cl)s3)nn2)c(C)n1,INMIDEZMOYXOJO-UHFFFAOYSA-N
+rxn:1:48960:32041,COc1cc(-c2cn(CC(O)c3csc(Cl)c3)nn2)cc(Cl)c1CN,MJLLOKNKHLJKKW-UHFFFAOYSA-N
+rxn:1:49432:521,FS(F)(F)(F)(F)c1ccc(-c2cn(C3(CI)CCNC3)nn2)cc1,QSOUWKIYEMTKAS-UHFFFAOYSA-N
+rxn:1:49433:17157,CCc1cc(I)nn1-c1ccc(-c2cn(C3(CI)CNC3)nn2)cc1,NBTJXZQANIRUMF-UHFFFAOYSA-N
+rxn:1:49433:837,Cc1ccc(OCc2cn(C3(CI)CNC3)nn2)c(Cl)c1,UQZLOKBIEISDES-UHFFFAOYSA-N
+rxn:1:55948:37737,Clc1ccc2c(-c3cn(CCI)nn3)c[nH]c2n1,VSBYXUXQDHWYJO-UHFFFAOYSA-N
+rxn:1:58687:32702,Nc1cc(-c2cn(CCCCc3cscc3Br)nn2)ncc1F,CHEUQOQFPCSIQM-UHFFFAOYSA-N
+rxn:1:59830:13907,NCCOc1ccc(-c2cn(Cc3ccc(Br)o3)nn2)cc1,IGNPZQLXOIBNHU-UHFFFAOYSA-N
+rxn:1:59830:31838,COc1cc(-c2cn(Cc3ccc(Br)o3)nn2)cnc1C#N,AMKMNEWDXGCHCH-UHFFFAOYSA-N
+rxn:1:60111:37285,COc1ncc(C(F)(F)F)cc1-c1cc(-c2cn(I)nn2)ccn1,TVPVZBWFTKEMNA-UHFFFAOYSA-N
+rxn:1:61827:22638,NCc1cnn(Cc2cn(-c3ccc(I)c(Br)c3)nn2)c1I,TXDVOSCJJCVQIO-UHFFFAOYSA-N
+rxn:1:62588:32494,C[C@H](N)c1ccc(-c2cn(C3CCCC3I)nn2)cc1Cl,KDEOHBDDAUVPJX-FIJUAKJSSA-N
+rxn:1:63670:5962,Brc1ccc(Cn2cc(-c3cncc(C4CCCN4)c3)nn2)s1,KUUKKHGGGAUKBP-UHFFFAOYSA-N
+rxn:1:65469:23538,Nc1c(-c2cn(CCF)nn2)oc2c(I)cncc12,KBTFZDUHAHNDSL-UHFFFAOYSA-N
+rxn:1:65676:31110,Cc1ccsc1C=CCn1cc(-c2cnc(N)c(Cl)c2)nn1,VYGMKVQNNHMLHW-UHFFFAOYSA-N
+rxn:2:119218:71586,c1cnc(-c2cc(NC3CC(c4ccsc4)C3)n[nH]2)cn1,UKVQAEJNYVTFRG-UHFFFAOYSA-N
+rxn:2:130128:125786,Cc1csc(-c2cnc(C(C)Nc3cnsc3)nc2)c1,XGXMQFOZNMUZLP-UHFFFAOYSA-N
+rxn:2:144253:81856,Cc1c(NC2CCc3sccc32)cc2[nH]c(=O)[nH]c2c1C,AMOZFRABDPMOQM-UHFFFAOYSA-N
+rxn:2:153689:125030,CSCC1CCC(Nc2cnc3c(c2)c(=O)ncn3C)CC1,TWWIFHPMYVNEJI-UHFFFAOYSA-N
+rxn:2:165591:81856,O=c1[nH][nH]c2c1cnc1cc(NC3CCc4sccc43)ccc12,VYVRMGNLJLBYOQ-UHFFFAOYSA-N
+rxn:2:70317:71586,COc1cnc2[nH]nc(NC3CC(c4ccsc4)C3)c2c1,PINUMTSSWXOXFU-UHFFFAOYSA-N
+rxn:2:72760:113157,C[C@@]12CCC(Nc3cnc(C#C[Si](C)(C)C)nc3)[C@@H]1C2,MOVFFMDKTDZGEY-SFIRGFGWSA-N
+rxn:2:73269:79718,CSc1cnnc(NC(C)c2cnc3[nH]ccc3c2)c1,LYTQEDYJXLKGGW-UHFFFAOYSA-N
+rxn:2:79162:71586,CCc1nc2cnnc(NC3CC(c4ccsc4)C3)c2[nH]1,XMBCOHJNKCEBQP-UHFFFAOYSA-N
+rxn:2:80386:118376,Cc1cc2[nH]ccc2cc1NC1CCc2ccsc2C1,IJZSCXMTMXWAAI-UHFFFAOYSA-N