Added 38 molecules from epoch 21692 for P23977

P23977_molecules.csv

@@ -43570,3 +43570,41 @@ rxn:2:88919:169412,Cc1csc(-c2ccc(CCC(C)NCCCC3(C)N=N3)cc2)c1,DIAAGGQBZOEJDY-UHFFF
 rxn:2:92565:169305,Cc1cc(-c2cc3ccccc3o2)ccc1C(C)NCCc1ccns1,KSVAOSCLNODEOK-UHFFFAOYSA-N
 rxn:2:92926:152446,CC(NC1CCc2ncoc21)c1ccc(C#Cc2ccccc2)cc1,KANDCOPTOQSNSC-UHFFFAOYSA-N
 rxn:2:95375:170060,Cc1cc(-c2ccc(CCC(C)NC3CCCN(c4ccc(=O)[nH]n4)C3)cc2)cs1,UJLGLAHETWJHTB-UHFFFAOYSA-N
+rxn:2:100318:107567,CSCC(Nc1cn[nH]c(=O)n1)c1cc2ccccc2o1,KQTWTYAWGMZCGO-UHFFFAOYSA-N
+rxn:2:102522:141988,COc1ccc(C#CCNC(C)c2ccc(-c3csc(C)c3)s2)nn1,RXXMBGJGGCPNOE-UHFFFAOYSA-N
+rxn:2:109614:150277,COc1csc(-c2ccc(CCC(C)NCc3c[nH]nc3CC(C)C)cc2)c1,USFCOAUQFMBKJZ-UHFFFAOYSA-N
+rxn:2:110342:170060,Cc1cc(-c2ccc(CCC(C)N[C@@H]3CCN(c4ccncn4)C3)cc2)cs1,LOOSNBWKDUGTIL-IVAFLUGOSA-N
+rxn:2:110352:118142,CCNC(C)c1coc2c(C)cccc12,BSRALNUMTYOQDG-UHFFFAOYSA-N
+rxn:2:110352:149614,CCNC(c1ccc2c(c1)CCC2)c1ccc(C)o1,ACZGTLLPQDANNR-UHFFFAOYSA-N
+rxn:2:113672:169412,Cc1csc(-c2ccc(CCC(C)NCCC3CC3c3cc[nH]c3)cc2)c1,SKKLFDJWVONBAF-UHFFFAOYSA-N
+rxn:2:117045:170892,CC(NCC#Cc1cc[nH]n1)c1ccc(-c2cc3sccc3s2)s1,COYBWKDYRXASIL-UHFFFAOYSA-N
+rxn:2:119211:169412,CCCCc1c(NC(C)CCc2ccc(-c3cc(C)cs3)cc2)o[nH]c1=O,GLXGJIYWVGPBGT-UHFFFAOYSA-N
+rxn:2:120564:170668,CC(NCCCc1nnco1)c1csc(-c2ccc(-c3ccco3)cc2)c1,NBRBCJMSJFPNPH-UHFFFAOYSA-N
+rxn:2:121629:169412,CCSc1nnc(CCNC(C)CCc2ccc(-c3cc(C)cs3)cc2)o1,QYLCUGPNWXKTAC-UHFFFAOYSA-N
+rxn:2:122474:169412,COCC#Cc1cnc(CNC(C)CCc2ccc(-c3cc(C)cs3)cc2)nc1,VIZCLYSQPDDQKK-UHFFFAOYSA-N
+rxn:2:123459:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3ccc4[nH]cnc4c3)cc2)cs1,DLSWNZCVCANKDB-UHFFFAOYSA-N
+rxn:2:124177:171231,CCOc1cc(C)c(-c2csc(C(C)NCCSc3nc(C)n[nH]3)c2)cc1C,BMXGRRVQERZGBU-UHFFFAOYSA-N
+rxn:2:125751:169412,Cc1csc(-c2ccc(CCC(C)NCC#Cc3cscn3)cc2)c1,XMZZIHXOGLVIMM-UHFFFAOYSA-N
+rxn:2:126471:170235,COCCO[C@H]1C[C@@H](NC(C)c2cc3cc(-c4cccc(C)c4)ccc3o2)C1,SEZFNMDLOCZVMQ-IVXOOFBDSA-N
+rxn:2:126579:141122,Cc1cc(C#CCNC2CC(c3ccc4c(c3)OCCO4)C2)cs1,BOZARYSHTRCUJJ-UHFFFAOYSA-N
+rxn:2:130225:170235,Cc1cccc(-c2ccc3oc(C(C)NCCc4cnco4)cc3c2)c1,UFIBXOJWYPHCGS-UHFFFAOYSA-N
+rxn:2:132005:170060,COCCC(NC(C)CCc1ccc(-c2csc(C)c2)cc1)c1nc(C)no1,QBHTUUDPGLYGQD-UHFFFAOYSA-N
+rxn:2:132946:170060,Cc1cc(-c2ccc(CCC(C)NCCCS(C)(=N)=O)cc2)cs1,XCOVXUWCUDPGCT-UHFFFAOYSA-N
+rxn:2:133180:170026,CCCC(NCCN(C)OC)c1ccc(-c2cc3cc(C)ccc3s2)cc1,FQFBPGNEVTZROI-UHFFFAOYSA-N
+rxn:2:134454:170060,Cc1cc(-c2ccc(CCC(C)NCC(C)c3cnccn3)cc2)cs1,GOUJIVFRTLJXRS-UHFFFAOYSA-N
+rxn:2:135535:171231,CCOc1cc(C)c(-c2csc(C(C)NC[C@H](C)OCC)c2)cc1C,DBGKELRDDSUYBL-BHWOMJMDSA-N
+rxn:2:66303:169412,Cc1csc(-c2ccc(CCC(C)NCC3CCCc4cn[nH]c4C3)cc2)c1,WZHNZHVFHGRWHB-UHFFFAOYSA-N
+rxn:2:66658:127577,C(#Cc1cnoc1)CCNC1CC2(C1)CC(c1ccccc1)C2,ZJAHNDIPIWPLGJ-UHFFFAOYSA-N
+rxn:2:67187:92656,c1coc(-c2ccc(C(Nc3cncnc3)C3CC3)cc2)c1,TWXPFSGUHRNELI-UHFFFAOYSA-N
+rxn:2:68805:133871,CCCc1[nH]ncc1NC(CSC)c1ccc2c(c1)CCC2,JNOHRXRRFPYRBV-UHFFFAOYSA-N
+rxn:2:69022:170060,Cc1cc(-c2ccc(CCC(C)NCCCCc3ncc[nH]3)cc2)cs1,QTFYWSWNDUAGIW-UHFFFAOYSA-N
+rxn:2:69232:81963,CC(CCc1ccc2[nH]ccc2c1)NCCCc1ccoc1,JDCLCNZNHOYEKE-UHFFFAOYSA-N
+rxn:2:77440:171231,CCOc1cc(C)c(-c2csc(C(C)Nc3cnon3)c2)cc1C,WKBVQAQKDCHEPX-UHFFFAOYSA-N
+rxn:2:78560:171231,CCOc1cc(C)c(-c2csc(C(C)Nc3cnnc(OC)c3)c2)cc1C,UZVDPVOJLYBMIW-UHFFFAOYSA-N
+rxn:2:84233:170060,CCCC(NC(C)CCc1ccc(-c2csc(C)c2)cc1)c1ncnn1C,WRAILRDFDZQXKW-UHFFFAOYSA-N
+rxn:2:90691:170235,COCCOc1cc(NC(C)c2cc3cc(-c4cccc(C)c4)ccc3o2)ccn1,AEKGCWCCRPKHON-UHFFFAOYSA-N
+rxn:2:91885:70192,Cc1ccc(OCCC(C)NC2(c3nn[nH]n3)CCCCCC2)c(C)c1,ANNUMEYWCZECDY-UHFFFAOYSA-N
+rxn:2:92382:172265,CC(Nc1cn[nH]c1)c1ccc(-c2ccc(-c3cccs3)s2)s1,PJZKWZPFZVJJSB-UHFFFAOYSA-N
+rxn:2:92742:126659,Cc1ccc2sc(C(C)NCCCOC3CC3)cc2c1,OOSTXSMQZGVEEM-UHFFFAOYSA-N
+rxn:2:94771:172841,CC(Nn1cnnc1)c1cc(-c2ccc3sccc3c2)cs1,WSSZNPHNPRWFLV-UHFFFAOYSA-N
+rxn:2:97063:172618,CC(NCCSc1cnn[nH]1)c1cc(-c2cc3sccc3s2)cs1,AUAASRZMTVGNCQ-UHFFFAOYSA-N