Added 36 molecules from epoch 21688 for P23977

P23977_molecules.csv

@@ -43428,3 +43428,39 @@ rxn:2:86811:120822,Cc1ccc(-c2ccc(C(C)NC3CCC(CC4CCN(C)C4)CC3)cc2)s1,KFJCCTOBLQFEP
 rxn:2:87876:67213,C(#Cc1cccs1)CCNC1CCC(Cc2ccccc2)C1,PPQBQACLHKQPCV-UHFFFAOYSA-N
 rxn:2:90138:169412,CCCCn1nnnc1CNC(C)CCc1ccc(-c2cc(C)cs2)cc1,KHWHZYKMUSZXMS-UHFFFAOYSA-N
 rxn:2:97827:142183,Cc1ccc(ONCC=N)c(C)c1,HBWLDAUICHDQIX-UHFFFAOYSA-N
+rxn:2:101969:126659,Cc1ccc2sc(C(C)N[C@H]3CC[C@H](CN4CCCC4)CC3)cc2c1,HYUIYRMMBAQBFD-FNNPTEEZSA-N
+rxn:2:104011:122855,CC(NCC#Cc1ccc(N2CCN(C)CC2)cc1)c1ccc(-c2cccs2)s1,UVBJMWGRXLWACE-UHFFFAOYSA-N
+rxn:2:104011:124273,CC(NCC#Cc1ccc(N2CCN(C)CC2)cc1)c1ccc(-c2cnsc2)s1,ZZMKBXCWTYCCRR-UHFFFAOYSA-N
+rxn:2:110352:172778,CCNC(c1ccc(-c2cc3ccccc3o2)cc1)c1ccccn1,FTCAAMQSAAPBMA-UHFFFAOYSA-N
+rxn:2:110765:170060,Cc1cc(-c2ccc(CCC(C)NCC#Cc3cnc(N(C)C)nc3)cc2)cs1,OFDVODMVXVPJNC-UHFFFAOYSA-N
+rxn:2:111985:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCc3cc[nH]n3)c2)cc1C,NJJSCMBQKJXOIH-UHFFFAOYSA-N
+rxn:2:116191:127577,Cc1cc(C#CCCNC2CC3(C2)CC(c2ccccc2)C3)cs1,UWBJUBZOAZTSNQ-UHFFFAOYSA-N
+rxn:2:120564:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCc3nnco3)c2)cc1C,WGCGVHJLQGPXEI-UHFFFAOYSA-N
+rxn:2:124198:68909,C(#Cc1ccsc1)CCNC1CCC(c2ccc3c(c2)OCO3)CC1,MJMSWJOAMQZLER-UHFFFAOYSA-N
+rxn:2:125751:172618,CC(NCC#Cc1cscn1)c1cc(-c2cc3sccc3s2)cs1,DFQKMHVHSLUWQZ-UHFFFAOYSA-N
+rxn:2:126873:112875,C=C=CCCNC1CC(C#Cc2cccs2)C1,BWKAXSDWNKSGKZ-UHFFFAOYSA-N
+rxn:2:127440:172375,CC(Nc1cnns1)c1ccc(-c2cc3ccccc3o2)c2c1OCO2,LTBGNUUPTGKBGH-UHFFFAOYSA-N
+rxn:2:127751:169305,Cc1cc(-c2cc3ccccc3o2)ccc1C(C)Nc1cccnc1,FAKUKYYFEPBADL-UHFFFAOYSA-N
+rxn:2:130477:102419,CCCC(Cc1ccc2ccccc2c1)NCCCc1ccc[nH]1,WMFOVTOBLJSNID-UHFFFAOYSA-N
+rxn:2:135811:171231,CCOc1cc(C)c(-c2csc(C(C)NCCOc3cn[nH]c3)c2)cc1C,BXSFXBGHLLNEKZ-UHFFFAOYSA-N
+rxn:2:135915:169412,Cc1csc(-c2ccc(CCC(C)NCCC3CC3c3[nH]cnc3C)cc2)c1,UEZSUPWRBWNDEU-UHFFFAOYSA-N
+rxn:2:136172:172751,Cc1cc(-c2ccc(-c3cccs3)s2)ccc1C(C)Nc1cnn(C)c1,IEZIJSVMMRHERF-UHFFFAOYSA-N
+rxn:2:137922:169412,CCOc1ncc(C#CCNC(C)CCc2ccc(-c3cc(C)cs3)cc2)cn1,DEGICPFHZGNERF-UHFFFAOYSA-N
+rxn:2:139383:169851,CSc1ccc(-c2ccc(C(C)NCCCCc3cn(C)cn3)cc2)cc1,ALMMHJTZVYSVNQ-UHFFFAOYSA-N
+rxn:2:141397:109770,CNC(Cc1cccc(C)c1)c1ccccc1,SVEHAAIZGRYULJ-UHFFFAOYSA-N
+rxn:2:158858:108959,CC(NCC1CC1c1ccc2[nH]c(=O)oc2c1)c1ccc(-c2cccs2)cc1,SMVZBEHKKGJSEA-UHFFFAOYSA-N
+rxn:2:159419:98873,Cc1ccc(OCC(NC2CC2)c2ccccc2)c(C)c1,IDUQPVXXXUKNGK-UHFFFAOYSA-N
+rxn:2:160401:169412,Cc1csc(-c2ccc(CCC(C)NCCC#Cc3cnc4[nH]c(=O)oc4c3)cc2)c1,GGNNHCFZFYENKV-UHFFFAOYSA-N
+rxn:2:167260:170060,Cc1cc(-c2ccc(CCC(C)NCCC3CC3c3ccc4[nH]c(=O)[nH]c4c3)cc2)cs1,JIPXOVBWCACTRX-UHFFFAOYSA-N
+rxn:2:72135:142183,CC(Cc1ccc2ccoc2c1)NCC=N,YQLYTKNDJBPBNA-UHFFFAOYSA-N
+rxn:2:74377:70812,Cc1ccc(C#CCCNC2CCC(c3ccccc3)CC2)s1,XALCFVQSLGEOJW-UHFFFAOYSA-N
+rxn:2:74972:171231,CCOc1cc(C)c(-c2csc(C(C)NCc3nnn[nH]3)c2)cc1C,GLDVGOIHVSQCPN-UHFFFAOYSA-N
+rxn:2:76625:113546,Cc1ccc(C2CCC(NCCC#Cc3cnc[nH]3)C2)cc1,XOVXRWLUJIKFEC-UHFFFAOYSA-N
+rxn:2:77397:170060,Cc1cc(-c2ccc(CCC(C)NCCCc3nnc(-c4ccc(=O)[nH]n4)o3)cc2)cs1,XHKDMWOVTFFARL-UHFFFAOYSA-N
+rxn:2:77560:159185,C=C=CC(Nc1cnoc1)c1ccc2ccccc2c1,XQDNCDTUJYEEMG-UHFFFAOYSA-N
+rxn:2:80704:98873,CC(C)CC[C@@H](NC1CC1)c1ccc2ccccc2c1,VZBLFTLAYNSWIW-LJQANCHMSA-N
+rxn:2:83604:169366,CC(NCC1N=N1)c1ccc(-c2cc3ccccc3s2)c2c1OCO2,UYUWUUGLNMWTBC-UHFFFAOYSA-N
+rxn:2:88326:172375,COCNC(C)c1ccc(-c2cc3ccccc3o2)c2c1OCO2,DQSPCSUNGMMADX-UHFFFAOYSA-N
+rxn:2:92749:171231,CCOc1cc(C)c(-c2csc(C(C)Nc3nnn[nH]3)c2)cc1C,LKFBVHJZYXOCQV-UHFFFAOYSA-N
+rxn:2:96388:160916,C(#Cc1nccs1)CCNC1CCN(c2ccc3sccc3c2)CC1,AUVCKMRMMWRIPB-UHFFFAOYSA-N
+rxn:2:97900:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)Nc1n[nH]c2[nH]ncc12,UYPHTHSSOZOWPY-UHFFFAOYSA-N