Added 37 molecules from epoch 21656 for P23977

P23977_molecules.csv

@@ -42344,3 +42344,40 @@ rxn:2:97081:170060,CCC(C)C(NC(C)CCc1ccc(-c2csc(C)c2)cc1)c1nc[nH]n1,MUDBSMVYLAXIF
 rxn:2:97543:172751,Cc1cc(-c2ccc(-c3cccs3)s2)ccc1C(C)NCCc1nnn[nH]1,VFOSZTLZONPLLE-UHFFFAOYSA-N
 rxn:2:97900:94292,CCC(Nc1n[nH]c2[nH]ncc12)c1ccc(-c2sccc2C)s1,AZEKJTIPVXRYFU-UHFFFAOYSA-N
 rxn:2:97980:70192,Cc1ccc(OCCC(C)Nc2ccsn2)c(C)c1,XYXSVUZBVNPZID-UHFFFAOYSA-N
+rxn:1:41865:31609,CNC[C@H](C)c1ccc(-c2cn(CC=Cc3ccc(I)o3)nn2)cc1,NNZIFOVOVRSFIS-AWEZNQCLSA-N
+rxn:1:65134:25795,CC(N)c1cn(-c2ccc(Br)cc2Cl)nn1,UDZDCUSBPFBBME-UHFFFAOYSA-N
+rxn:1:65513:28048,NCCC=Cc1ccc(-c2cn(-c3ccc(I)cc3)nn2)cc1,XFKNAOQKUPCPHB-UHFFFAOYSA-N
+rxn:2:106616:170060,Cc1cc(-c2ccc(CCC(C)NCc3cnsc3)cc2)cs1,NKAXGJAQICQXRH-UHFFFAOYSA-N
+rxn:2:110352:129722,CCNC(CCC(C)(C)C)Cc1cc(C)cc(C)c1,JPUKEGLESXOSNI-UHFFFAOYSA-N
+rxn:2:110352:170060,CCNC(C)CCc1ccc(-c2csc(C)c2)cc1,AXRPYSQESIKQKR-UHFFFAOYSA-N
+rxn:2:110352:75004,CCNC(CCC(C)C)Cc1cc(C)cc(C)c1,LKUGTOGUAXDMTB-UHFFFAOYSA-N
+rxn:2:111985:100719,CCC(NCCCc1cc[nH]n1)c1ccc2ccccc2c1,ZTXAEHRECWNLGR-UHFFFAOYSA-N
+rxn:2:112079:170060,CSc1ncc(CCCNC(C)CCc2ccc(-c3csc(C)c3)cc2)cn1,CLIYCZATOFPNQQ-UHFFFAOYSA-N
+rxn:2:122303:142183,Cc1coc2ccc(CNCC=N)cc12,QHCBMIVPJXKHOX-UHFFFAOYSA-N
+rxn:2:123884:170060,Cc1cc(-c2ccc(CCC(C)NCc3ccsn3)cc2)cs1,MGIYQYKPTCVSNC-UHFFFAOYSA-N
+rxn:2:123884:70192,Cc1ccc(OCCC(C)NCc2ccsn2)c(C)c1,QYCKBUHSISCXOV-UHFFFAOYSA-N
+rxn:2:129306:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCc3nc(CC)n[nH]3)c2)cc1C,MUKKNLFADIVQTE-UHFFFAOYSA-N
+rxn:2:130089:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NCCS(=O)(=O)[O-],JEYTUGBFTLTXCZ-UHFFFAOYSA-M
+rxn:2:132400:171246,Cc1cc(-c2ccc(-c3ccco3)cc2)ccc1C(C)NCS(C)(=O)=O,RLUUDCKSESLABF-UHFFFAOYSA-N
+rxn:2:136521:170026,CCCC(NCC1COCO1)c1ccc(-c2cc3cc(C)ccc3s2)cc1,WBOSTLRIZCDTSB-UHFFFAOYSA-N
+rxn:2:137922:107408,CCOc1ncc(C#CCNC(C)c2ccc(-c3ccsc3)s2)cn1,NRHYPUOQEAMTFV-UHFFFAOYSA-N
+rxn:2:141397:115233,CNC1CCc2ccc(OC)cc2C1,DAXIBFTVCDGGMC-UHFFFAOYSA-N
+rxn:2:141397:169039,CNC(Cc1ccc(-c2cccs2)cc1)c1ccccc1,PWIJSCLKBBGSAY-UHFFFAOYSA-N
+rxn:2:141397:169729,CCC(NC)c1ccc(-c2cc3cc(OC)ccc3o2)cc1C,YZJUPZVKQZYVSX-UHFFFAOYSA-N
+rxn:2:144681:102373,Cc1ccc(C2CC(NCCC#Cc3ccc4[nH]c(=O)oc4c3)C2)s1,VLVVHGPMYXWEPZ-UHFFFAOYSA-N
+rxn:2:145769:142183,N=CCNc1ccc(-c2cc3ccccc3[nH]2)cc1,SMHXERKXZOQZBE-UHFFFAOYSA-N
+rxn:2:161584:142183,N=CCNCc1ccc2cc3ccccc3cc2c1,XVNZSDNSTKTGGL-UHFFFAOYSA-N
+rxn:2:67380:123403,Cc1ccc2cc(C(C)NC3CCC4(CC3)CCN(C)CC4)sc2c1,DDSZLOCKNGZCEN-UHFFFAOYSA-N
+rxn:2:68712:70192,CCSC1CC1CNC(C)CCOc1ccc(C)cc1C,RADFSPMLHSGYEM-UHFFFAOYSA-N
+rxn:2:68737:112875,C(#Cc1cc[nH]n1)CCNC1CC(C#Cc2cccs2)C1,MKGRGNCPOWXADN-UHFFFAOYSA-N
+rxn:2:72200:171231,CCOc1cc(C)c(-c2csc(C(C)NCCCc3nnc[nH]3)c2)cc1C,DXSIHIHKZZKSJI-UHFFFAOYSA-N
+rxn:2:73728:173089,Cc1cc(-c2cc3sccc3s2)ccc1C(C)NC1CC1,CTSAFPSWHPBMKU-UHFFFAOYSA-N
+rxn:2:74972:169412,Cc1csc(-c2ccc(CCC(C)NCc3nnn[nH]3)cc2)c1,GLXYKPJPCAQAHF-UHFFFAOYSA-N
+rxn:2:75557:169412,Cc1csc(-c2ccc(CCC(C)NCCCc3nnn[nH]3)cc2)c1,RTPYIKZNGXFLMR-UHFFFAOYSA-N
+rxn:2:78786:142183,Cc1ccc(CC(NCC=N)C2CCCCC2)cc1C,GLWSCFYWRDAXBD-UHFFFAOYSA-N
+rxn:2:84697:170060,COCC(CNC(C)CCc1ccc(-c2csc(C)c2)cc1)c1cnccn1,PKYDWVPEKGPBFZ-UHFFFAOYSA-N
+rxn:2:86811:126659,Cc1ccc2sc(C(C)NC3CCC(CC4CCN(C)C4)CC3)cc2c1,QNCIEBRLJFLESE-UHFFFAOYSA-N
+rxn:2:87876:112875,C(#Cc1cccs1)CCNC1CC(C#Cc2cccs2)C1,ZTPLDEUXTGMBJT-UHFFFAOYSA-N
+rxn:2:89063:71586,c1cc2cc(C3CC3CCNC3CC(c4ccsc4)C3)ccc2[nH]1,XSQJFOYMZJJLGZ-UHFFFAOYSA-N
+rxn:2:89615:152446,CC(NCCc1ncccn1)c1ccc(C#Cc2ccccc2)cc1,KXVUKOISZIVJQE-UHFFFAOYSA-N
+rxn:2:92749:146828,CSCC(Nc1nnn[nH]1)c1ccc2cc(C)ccc2c1,JRYAHJFVOJJZLZ-UHFFFAOYSA-N