Added 41 molecules from epoch 22188 to Q63380_molecules.csv

Q63380_molecules.csv

@@ -13923,3 +13923,44 @@ rxn:2:119266:92488,CC(NCCCCc1cnc2[nH]ccc2c1)c1cc(-c2ccsc2)cs1,AUXSWHWNMQCQIQ-UHF
 rxn:2:131603:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCC1CC1c1cc[nH]c1,XFJZQPJTDTWNNM-UHFFFAOYSA-N
 rxn:2:67009:96010,COc1ccnc(C#CCNC(C)c2ccc(-c3ccsc3)cc2)n1,ZMNLPCAPXVAVDI-UHFFFAOYSA-N
 rxn:2:102636:159800,COCCOC1CCC(NC(C)c2ccc(-c3ccc(OC)cc3)cc2)CC1,MHYABUDYXXJHQE-UHFFFAOYSA-N
+rxn:2:142622:138605,CC(CCc1cnc2ccccc2c1)NCCC#Cc1ccc2[nH]c(=O)sc2c1,QRSOYFCNCUCYJG-UHFFFAOYSA-N
+rxn:2:118048:169412,COCC1CCC(NC(C)CCc2ccc(-c3cc(C)cs3)cc2)CO1,XIUXKINRHSICTP-UHFFFAOYSA-N
+rxn:2:98729:148477,CC(NCCCCc1nccs1)c1ccc2c(c1)CCc1ccccc1-2,HDJJGWSCWSLBNB-UHFFFAOYSA-N
+rxn:1:60111:28813,NCCC1CC1c1ccc(-c2cn(I)nn2)cc1,UKWBMHOUNVAVOJ-UHFFFAOYSA-N
+rxn:2:82049:107408,CC(NC[C@H]1CC[C@H](CN(C)C)CC1)c1ccc(-c2ccsc2)s1,IDLSUWPOGNAQPL-ATBAIXNZSA-N
+rxn:2:134961:170060,Cc1cc(-c2ccc(CCC(C)NCC(C)Oc3nccnc3C)cc2)cs1,YFFFXHLDBOPSDY-UHFFFAOYSA-N
+rxn:2:167169:143047,CC(NCC#Cc1ccc2[nH]c(=O)sc2c1)c1ccc(-c2cccc3ccoc23)cn1,NFWCUSXGUXCTQG-UHFFFAOYSA-N
+rxn:1:41805:25795,CC(N)c1cn(-c2ccc(Cl)cc2Br)nn1,FWGRHHWKJGKESH-UHFFFAOYSA-N
+rxn:2:167260:170060,Cc1cc(-c2ccc(CCC(C)NCCC3CC3c3ccc4[nH]c(=O)[nH]c4c3)cc2)cs1,JIPXOVBWCACTRX-UHFFFAOYSA-N
+rxn:2:160401:172076,O=c1[nH]c2ncc(C#CCCNC3CCC(c4nc(-c5cccs5)cs4)CC3)cc2o1,HLIIDRXNAKRRIG-UHFFFAOYSA-N
+rxn:2:79587:96010,CC(NCCc1nc(-c2ccncc2)no1)c1ccc(-c2ccsc2)cc1,LXJPNLWNTXSTAD-UHFFFAOYSA-N
+rxn:2:114945:68807,Cc1ccsc1-c1ccc(C(C)NC2CCN(c3nccs3)CC2)s1,IHGKTPDWKHYEDH-UHFFFAOYSA-N
+rxn:2:116231:169412,Cc1csc(-c2ccc(CCC(C)NCCC#Cc3[nH]cnc3C)cc2)c1,FMNKEIRLPVKUFO-UHFFFAOYSA-N
+rxn:2:124693:68807,Cc1ccsc1-c1ccc(C(C)NCC(C)c2nnn[nH]2)s1,QGKQYMKOPSVTPH-UHFFFAOYSA-N
+rxn:2:96712:159800,COc1ccc(-c2ccc(C(C)NCCCc3ccsn3)cc2)cc1,ODLRSEFFJSARRQ-UHFFFAOYSA-N
+rxn:2:138933:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCOc3cn[nH]c3)c2)cc1C,GHIGWETWHFSURH-UHFFFAOYSA-N
+rxn:2:108320:114519,Cc1ncc(C#CCCNC(C)c2ccc(-c3ccsc3C)cc2)cn1,RXFMLPGUJYCMEK-UHFFFAOYSA-N
+rxn:2:97900:88359,CCC(Nc1n[nH]c2[nH]ncc12)c1ccc(-c2cscc2C)cc1,LQDKXWLHTDSMOH-UHFFFAOYSA-N
+rxn:2:112802:169851,CSc1ccc(-c2ccc(C(C)NC3CCC(Oc4ccnc(C)n4)CC3)cc2)cc1,AFXCIUYJSIUNCR-UHFFFAOYSA-N
+rxn:2:87637:169340,CC(NCC1CC1c1cnc2nc[nH]c2c1)c1ccc(-c2cc3ccccc3s2)s1,WJADXRYONXCGCG-UHFFFAOYSA-N
+rxn:2:109745:173016,CC(NCCOc1ccncn1)c1cc(-c2ccc(-c3ccco3)cc2)cs1,VRSPMRGDUSSFRB-UHFFFAOYSA-N
+rxn:2:114934:122855,CC(NCCC#Cc1cnc2nc[nH]c2c1)c1ccc(-c2cccs2)s1,BVLZKAFBYLBWOX-UHFFFAOYSA-N
+rxn:2:102870:142183,CCc1cc2cc(NCC=N)ccc2s1,FISWLFXQLVSDDC-UHFFFAOYSA-N
+rxn:2:110097:83338,COc1ccc(CCC(C)Nc2ncn[nH]2)c(C)c1,FEFWSGGBOGPNIK-UHFFFAOYSA-N
+rxn:2:68496:108959,CC(NCc1cc(-c2ccsc2)n[nH]1)c1ccc(-c2cccs2)cc1,DBIMVFIQZFRUAW-UHFFFAOYSA-N
+rxn:2:113063:101264,Cc1ccc(OCC(C)NC2CCCC(CC(C)C)C2)c(C)c1,MTAKTYPOGWQHLQ-UHFFFAOYSA-N
+rxn:2:76625:172076,C(#Cc1cnc[nH]1)CCNC1CCC(c2nc(-c3cccs3)cs2)CC1,NKRNSSJGZWKPSE-UHFFFAOYSA-N
+rxn:2:135961:169666,CCCc1n[nH]c(CCNC(C)c2cc(-c3ccc(-c4cccnc4)cc3)cs2)n1,IWKXKBATZLTBOX-UHFFFAOYSA-N
+rxn:2:73713:92488,CC(NCCCCc1cnc2cc[nH]c2c1)c1cc(-c2ccsc2)cs1,NLHXGFFIOXEWCF-UHFFFAOYSA-N
+rxn:2:75313:173095,Cc1ncc(CCCCNC(C)c2ccc3sc4ccccc4c3c2)cn1,UJYOLHPRHMJOGM-UHFFFAOYSA-N
+rxn:2:96519:126659,Cc1ccc2sc(C(C)NCC#Cc3cccc4[nH]cnc34)cc2c1,BEWQZXILNFNWOY-UHFFFAOYSA-N
+rxn:2:117743:96010,Cc1ccnc(C#CCNC(C)c2ccc(-c3ccsc3)cc2)n1,ABIYXZOVEFBWJF-UHFFFAOYSA-N
+rxn:2:166241:91511,Cc1ccc(-c2cc(C(C)NCC#Cc3ccc4[nH]c(=O)[nH]c(=O)c4c3)cs2)o1,ZXHCTSVAQRWPCU-UHFFFAOYSA-N
+rxn:2:100083:127220,Cc1ncc(CCCNC(C)c2csc(-c3ccc(C)s3)c2)cn1,MKRLSTKMDDGVKZ-UHFFFAOYSA-N
+rxn:2:136171:141889,Cc1cccc(C2CCC(NCC#Cc3ccc4[nH]cnc4c3)CC2)c1,CJXINMWOZFZXAC-UHFFFAOYSA-N
+rxn:2:116191:84855,Cc1cc(C#CCCNC2CC3c4ccccc4CCC23)cs1,UUMMUFYVANQQNH-UHFFFAOYSA-N
+rxn:2:99080:141988,CCn1cc(C#CCNC(C)c2ccc(-c3csc(C)c3)s2)cn1,ZAZQZQRRKBFBQN-UHFFFAOYSA-N
+rxn:2:123785:171392,c1ccc2c(C3CCC(NCCCCc4ccc5[nH]cnc5c4)CC3)csc2c1,RGMSHUSECVGFRV-UHFFFAOYSA-N
+rxn:1:41711:38410,NC1(c2cn(-c3ccc(I)cc3Br)nn2)CC1,KCGQITFMVQAQIA-UHFFFAOYSA-N
+rxn:2:136946:170892,CCc1cc(C#CCNC(C)c2ccc(-c3cc4sccc4s3)s2)ncn1,JZPDMHRVHKOEEA-UHFFFAOYSA-N
+rxn:2:102889:68807,CCCN1CCC(CCNC(C)c2ccc(-c3sccc3C)s2)CC1,NHSBQQRTTXIYER-UHFFFAOYSA-N