Added 38 molecules from epoch 21750 for P23977

P23977_molecules.csv

@@ -45420,3 +45420,41 @@ rxn:2:88686:172009,CCC(Nc1cnccn1)c1ccc(-c2cc3ccccc3[nH]2)cc1C,BMQIPPBCBSYTKK-UHF
 rxn:2:88919:172751,Cc1cc(-c2ccc(-c3cccs3)s2)ccc1C(C)NCCCC1(C)N=N1,XHYWGWCECMJJQN-UHFFFAOYSA-N
 rxn:2:92618:171246,Cc1cc(-c2ccc(-c3ccco3)cc2)ccc1C(C)NCCn1cn[nH]c1=O,WIRCBUJFLNTPQP-UHFFFAOYSA-N
 rxn:2:97027:142183,CCCC(Cc1cccc2ccccc12)NCC=N,NOEOHDZHQGOJCY-UHFFFAOYSA-N
+rxn:2:103296:171246,Cc1cc(-c2ccc(-c3ccco3)cc2)ccc1C(C)NCc1ncon1,PFWXVZZKLFVGHN-UHFFFAOYSA-N
+rxn:2:103393:142183,Cc1cc(C)cc(CONCC=N)c1,YTRZHRXSWURXAD-UHFFFAOYSA-N
+rxn:2:106432:170060,Cc1cc(-c2ccc(CCC(C)NCCCC3CCC4CC34)cc2)cs1,TUQPJVUBKMJKHA-UHFFFAOYSA-N
+rxn:2:107254:170235,Cc1cccc(-c2ccc3oc(C(C)NC4CCC(CS(C)(=O)=O)CC4)cc3c2)c1,JSLDTVAEGYOJPR-UHFFFAOYSA-N
+rxn:2:107302:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)Nc1cnn(C2CC2)n1,YPXPDOWDUGJHLH-UHFFFAOYSA-N
+rxn:2:113731:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3cnc4[nH]ccc4c3)cc2)cs1,JFPMOLPMSHHUCV-UHFFFAOYSA-N
+rxn:2:119867:169305,Cc1cc(-c2cc3ccccc3o2)ccc1C(C)NCCc1nc(=O)[nH][nH]1,UCZVKMXBCJWTOB-UHFFFAOYSA-N
+rxn:2:120034:169305,Cc1cc(-c2cc3ccccc3o2)ccc1C(C)NC[C@H]1C[C@H](C)C1,CLECZBOWKAJPLA-IYHITUBLSA-N
+rxn:2:120126:168989,CCc1cccc(-c2ccc3oc(C(C)NCc4cnco4)cc3c2)c1,ZLMRTFLRXDDFNM-UHFFFAOYSA-N
+rxn:2:120936:172893,Cc1cc(-c2ccc3sccc3c2)ccc1C(C)NCCn1nccn1,FHIBLIWVDJXRPA-UHFFFAOYSA-N
+rxn:2:124177:169305,Cc1n[nH]c(SCCNC(C)c2ccc(-c3cc4ccccc4o3)cc2C)n1,LBZXDBSWQWOCPG-UHFFFAOYSA-N
+rxn:2:124198:85300,C(#Cc1ccsc1)CCNC1CC2(Cc3ccccc3C2)C1,LNNIKVVOFNCIAK-UHFFFAOYSA-N
+rxn:2:128825:112875,C(#CC1CC(NCCCc2cc[nH]c2)C1)c1cccs1,SHRIPBFPJHQATE-UHFFFAOYSA-N
+rxn:2:130970:170235,Cc1cccc(-c2ccc3oc(C(C)N[C@H]4C[C@@H](CS(C)(=N)=O)C4)cc3c2)c1,YIMVXJGUKSGJSG-RDHGVMRXSA-N
+rxn:2:132946:171246,Cc1cc(-c2ccc(-c3ccco3)cc2)ccc1C(C)NCCCS(C)(=N)=O,AIAAODDPOMAWSN-UHFFFAOYSA-N
+rxn:2:134932:87722,CCOc1ccc(C(C)N[C@H]2CC[C@](C)(F)CC2)cc1C,JYVMCGWSBKDNRM-XRWIVYGQSA-N
+rxn:2:136250:170060,Cc1cc(-c2ccc(CCC(C)NCCS(=O)(=O)c3cnn(C)c3)cc2)cs1,WYQVZQGCEPQLLQ-UHFFFAOYSA-N
+rxn:2:136495:126659,Cc1ccc2sc(C(C)N[C@@H]3CCO[C@@H](c4cccs4)C3)cc2c1,ZBTSSUZEPSIVHS-VNCLPFQGSA-N
+rxn:2:138592:101671,Cc1nc2c([nH]1)CCC(NC(C)c1ccc(-c3ccsc3)cc1)C2,UQGFFGNWBNCJOA-UHFFFAOYSA-N
+rxn:2:139668:169305,Cc1cc(-c2cc3ccccc3o2)ccc1C(C)NCCCC1CCCOC1,UURVJIBQFRUHFU-UHFFFAOYSA-N
+rxn:2:142314:120181,CC(NCC#Cc1ccc2[nH]ccc(=O)c2c1)c1ccc(-c2ccsn2)cc1,WSAKSYXBPBXRPA-UHFFFAOYSA-N
+rxn:2:167169:96010,CC(NCC#Cc1ccc2[nH]c(=O)sc2c1)c1ccc(-c2ccsc2)cc1,AVOOJVXWTIPKFZ-UHFFFAOYSA-N
+rxn:2:67380:97563,CCOc1ccc(C(CC)NC2CCC3(CC2)CCN(C)CC3)cc1C,APTUWVHULGHGDC-UHFFFAOYSA-N
+rxn:2:73585:126659,Cc1ccc2sc(C(C)NCCCc3c[nH]cn3)cc2c1,IFYQBSXKWKRKLK-UHFFFAOYSA-N
+rxn:2:74256:81963,CC(CCc1ccc2[nH]ccc2c1)NCCSCc1ccsc1,NCZFPDIOEHCRDX-UHFFFAOYSA-N
+rxn:2:76896:170060,Cc1cc(-c2ccc(CCC(C)NCCC#Cc3cccnc3)cc2)cs1,ZBPPSRYJTILAJF-UHFFFAOYSA-N
+rxn:2:77160:170060,Cc1cc(-c2ccc(CCC(C)NCC(C)Sc3nnnn3C)cc2)cs1,RTEHCAPQMYPRGB-UHFFFAOYSA-N
+rxn:2:79532:104907,CCOc1ccc(C(C)NC2CCCC(C3CCCC3)C2)cc1C,TZENBIDYEZPJHB-UHFFFAOYSA-N
+rxn:2:81341:168989,CCc1cccc(-c2ccc3oc(C(C)NC[C@H]4CCO4)cc3c2)c1,YOBSWPCPQYSZQF-YQYDADCPSA-N
+rxn:2:85140:123403,Cc1ccc2cc(C(C)NCC(C)COC3CCN(C)CC3)sc2c1,MOWQSODJNSEFRJ-UHFFFAOYSA-N
+rxn:2:87971:73940,CSCC(N[C@H]1CC[C@H](CCN(C)C)CC1)c1ccc(C)c(C)c1,LULVPPUDFZVRDG-LSAOGOSGSA-N
+rxn:2:88848:78538,Cc1ccsc1-c1ccc(C(C)NCCC#Cc2ncccn2)cc1,GJBFBZKIQILRNA-UHFFFAOYSA-N
+rxn:2:89033:137603,Cc1cccc(C2CCC(NCCc3cnoc3)C2)c1,JMYBNLJEJXAEGH-UHFFFAOYSA-N
+rxn:2:89033:88106,Cc1ccc([C@@H]2CCC(NCCc3cnoc3)C2)cc1,SIDCBMBJNIEPGD-TZHYSIJRSA-N
+rxn:2:89033:97710,Cc1ccc([C@H]2CCC(NCCc3cnoc3)C2)cc1,SIDCBMBJNIEPGD-BHWOMJMDSA-N
+rxn:2:92814:169412,CCCOc1nc(NC(C)CCc2ccc(-c3cc(C)cs3)cc2)nc2nc[nH]c12,WMWRQRDVMJYGSG-UHFFFAOYSA-N
+rxn:2:93211:67686,CCCC(C)CNC(CN1CC1)c1cccc(OC)c1,IFLVZLWTKKQIDP-UHFFFAOYSA-N
+rxn:2:94771:170999,COc1cc(-c2cc3ccccc3s2)ccc1C(C)Nn1cnnc1,HARLJFMCHIKQFN-UHFFFAOYSA-N