Added 33 molecules from epoch 21731 for P23977

P23977_molecules.csv

@@ -44817,3 +44817,36 @@ rxn:2:92749:173095,CC(Nc1nnn[nH]1)c1ccc2sc3ccccc3c2c1,VGRWFOVLECYGGJ-UHFFFAOYSA-
 rxn:2:93644:171246,Cc1cc(-c2ccc(-c3ccco3)cc2)ccc1C(C)Nc1cn[nH]n1,CACFQWBNYDQMON-UHFFFAOYSA-N
 rxn:2:94050:142183,CCC[C@@H](NCC=N)c1ccc(OC)c(C)c1,WKIAKCZONGCOCF-CYBMUJFWSA-N
 rxn:2:94862:120822,Cc1ccc(-c2ccc(C(C)NCc3cc(=O)[nH][nH]3)cc2)s1,OOSJDWHBGNLGHT-UHFFFAOYSA-N
+rxn:1:65513:24342,CNCC1CC1c1ccc(-c2cn(-c3ccc(I)cc3)nn2)cc1,HPFAWMFGRAKJFE-UHFFFAOYSA-N
+rxn:2:100318:168989,CCc1cccc(-c2ccc3oc(C(C)Nc4cn[nH]c(=O)n4)cc3c2)c1,SNAURZIVDCARRB-UHFFFAOYSA-N
+rxn:2:103564:83505,CC[C@@H](NC1CCCC(SC)C1)c1ccc(OC)c(C)c1,GPCOXDCDCXONKQ-OFLPRAFFSA-N
+rxn:2:107795:171231,CCOc1cc(C)c(-c2csc(C(C)NCCC(C)OCC)c2)cc1C,IZBCSBWVFUGVLG-UHFFFAOYSA-N
+rxn:2:112600:70192,Cc1ccc(OCCC(C)N[C@H]2CCC[C@@H](OCC(C)C)C2)c(C)c1,XQDHWISTNOTCSB-GJGLBJJNSA-N
+rxn:2:113171:171331,CCC(NCCCc1cnn[nH]1)c1ccc(-c2cc(C)ccc2C)cc1C,SJJSYHMOXFHLRZ-UHFFFAOYSA-N
+rxn:2:114191:123403,Cc1ccc2cc(C(C)NCCCCc3ccc[nH]3)sc2c1,AQYBTYOSMKDBJU-UHFFFAOYSA-N
+rxn:2:116489:156984,COc1csc(-c2ccc(C(C)NCC#Cc3nncs3)c(C)c2)c1,WPZIVFZQTVQZLR-UHFFFAOYSA-N
+rxn:2:116949:83009,CC(CCNC(C)c1cc2ccccc2s1)c1nc[nH]n1,QFDMONFNGHZDFP-UHFFFAOYSA-N
+rxn:2:120356:169412,Cc1csc(-c2ccc(CCC(C)NCCC#Cc3c[nH]c(C)n3)cc2)c1,RPRUFSISMGRWRB-UHFFFAOYSA-N
+rxn:2:120651:169412,CSc1ncc(C(C)NC(C)CCc2ccc(-c3cc(C)cs3)cc2)nn1,LQNMSSWDVRGYIZ-UHFFFAOYSA-N
+rxn:2:130300:169412,Cc1csc(-c2ccc(CCC(C)NCC3CCN(c4ncc[nH]c4=O)C3)cc2)c1,FXYUHAWABMCTAN-UHFFFAOYSA-N
+rxn:2:130401:171043,CSCCC(NC(C)CCc1ccc(-c2cc3ccccc3[nH]2)cc1)c1ncno1,PITINRIFBCVNRQ-UHFFFAOYSA-N
+rxn:2:136521:168989,CCc1cccc(-c2ccc3oc(C(C)NCC4COCO4)cc3c2)c1,KTNKIEWKYRAPCP-UHFFFAOYSA-N
+rxn:2:136521:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCC1COCO1,MDXCHTJGAIGOOZ-UHFFFAOYSA-N
+rxn:2:138076:171423,c1ccc2oc(-c3ccc(C(NCCc4ccon4)C4CC4)cc3)cc2c1,FVMRSWQPFRKGTC-UHFFFAOYSA-N
+rxn:2:138375:170026,CCCC(NCCOC1COC1)c1ccc(-c2cc3cc(C)ccc3s2)cc1,PZWVXONXJQXWQF-UHFFFAOYSA-N
+rxn:2:140006:170235,CON(C)C1CCC(NC(C)c2cc3cc(-c4cccc(C)c4)ccc3o2)CC1,BRMUSPZPOOOERA-UHFFFAOYSA-N
+rxn:2:140875:169412,Cc1csc(-c2ccc(CCC(C)NCC3CC3c3cnc4[nH]ncc4c3)cc2)c1,BZMKLXKLUZGDDD-UHFFFAOYSA-N
+rxn:2:74737:150277,COc1csc(-c2ccc(CCC(C)NCCC3CC3c3ccn(C)n3)cc2)c1,IPVHFRSBXJNKDC-UHFFFAOYSA-N
+rxn:2:76625:169594,CC(NCCC#Cc1cnc[nH]1)c1ccc2c(ccc3ccccc32)c1,OYZCGCIGDODVSH-UHFFFAOYSA-N
+rxn:2:78481:172751,COC1COCC(NC(C)c2ccc(-c3ccc(-c4cccs4)s3)cc2C)C1,BLTQCEQWTNGPAH-UHFFFAOYSA-N
+rxn:2:80519:90501,Cc1ccc(CC(CC(C)C)NCCCc2c[nH]c(=S)[nH]2)cc1C,POTNGYANTTXWGO-UHFFFAOYSA-N
+rxn:2:80644:170060,Cc1cnc(N(C)CCCNC(C)CCc2ccc(-c3csc(C)c3)cc2)nc1,UOFMNAUKONHZEN-UHFFFAOYSA-N
+rxn:2:80652:170060,Cc1cc(-c2ccc(CCC(C)NC(C)COc3cnccn3)cc2)cs1,YLQYXQMXORHIQY-UHFFFAOYSA-N
+rxn:2:80872:172618,CC(NC(C)c1cc(-c2cc3sccc3s2)cs1)c1n[nH]c(=O)o1,YCKNWRHSQVGSPX-UHFFFAOYSA-N
+rxn:2:80917:170060,Cc1cc(-c2ccc(CCC(C)NC(c3nnco3)C3CCCC3)cc2)cs1,ZLIGLOPSNOIAJJ-UHFFFAOYSA-N
+rxn:2:83460:141195,CCC(NC(CC)c1nnn[nH]1)c1ccc(-c2sccc2C)cc1,SSVOMZAWPOBKMG-UHFFFAOYSA-N
+rxn:2:86385:170218,C[C@]12CC[C@@H]3c4ccccc4CC[C@H]3[C@@H]1CCC2NCc1c[nH]nn1,MFBHTMAYZPNFFM-BKUVARHGSA-N
+rxn:2:89509:152446,CC(Nc1cncc(=O)[nH]1)c1ccc(C#Cc2ccccc2)cc1,LSVRVHYEUIOYJJ-UHFFFAOYSA-N
+rxn:2:90202:87722,CCOc1ccc(C(C)N[C@H]2CCC[C@H](C)C2)cc1C,XHOQGEMLEDIJIV-YRFPZCSCSA-N
+rxn:2:96388:156984,COc1csc(-c2ccc(C(C)NCCC#Cc3nccs3)c(C)c2)c1,XOZISEKGBHZQKB-UHFFFAOYSA-N
+rxn:2:97099:172375,CCc1oncc1NC(C)c1ccc(-c2cc3ccccc3o2)c2c1OCO2,PQYYJNJZJIWHQU-UHFFFAOYSA-N