Added 47 molecules from epoch 22048 for P23975

P23975_molecules.csv

@@ -38591,3 +38591,50 @@ rxn:5:196767:223311:229342,Cc1cc(-c2ccc(-c3cnsc3)nc2)ccc1-c1cccc(C2CNC2)c1,BPARO
 rxn:5:198085:223311:229205,CCc1csc(-c2cnc(-c3cccc(C4CNC4)c3)s2)c1,XDTDKAOVRNXOJD-UHFFFAOYSA-N
 rxn:5:198120:223199:229317,Fc1ccc(-c2ccc(-c3cccc(C4CCNC4)c3)cn2)s1,QPYKOLALNSKTQQ-UHFFFAOYSA-N
 rxn:5:198409:223311:229332,c1cc(-c2cc3ccc(-c4ccoc4)nc3s2)cc(C2CNC2)c1,QNVRBSGJVMVNDL-UHFFFAOYSA-N
+rxn:5:176755:223312:229230,CCOCc1cc(-c2cc(C#N)cs2)ccc1-c1ccc(C2CNC2)cc1,YMLCBAOBJYXCBL-UHFFFAOYSA-N
+rxn:5:176755:228695:229308,CCOCc1cc(-c2cc(C)no2)ccc1-c1csc(CN(C)C)c1,DLHNVISVQLWOFX-UHFFFAOYSA-N
+rxn:5:176756:223312:229338,CCCOc1cc(-c2ccns2)ccc1-c1ccc(C2CNC2)cc1,ALLQEAZFCIPBCN-UHFFFAOYSA-N
+rxn:5:176759:223199:229294,COCCc1cc(-c2coc(C)c2)ccc1-c1cccc(C2CCNC2)c1,MYJCMOPQPTXQEX-UHFFFAOYSA-N
+rxn:5:178713:227022:229320,C#CCc1cc(-c2cc(F)cs2)ccc1-c1ccc(CN2CCC2)cc1,JXOWDYXFDPPCLT-UHFFFAOYSA-N
+rxn:5:178983:223311:229290,CCOc1cc(-c2ccsc2C)ccc1-c1cccc(C2CNC2)c1,SPSZKZCEIUMZII-UHFFFAOYSA-N
+rxn:5:179177:223239:229291,CO/C=C/c1cc(-c2cc(C)cs2)ccc1-c1cncc(C2CCCN2)c1,CBLZCPANXIWSLJ-VQHVLOKHSA-N
+rxn:5:180879:223398:229317,C#Cc1cc(-c2ccc(F)s2)ccc1-c1ccc(CNC)cc1,BNIZVBHHUFYJGF-UHFFFAOYSA-N
+rxn:5:180879:223398:229332,C#Cc1cc(-c2ccoc2)ccc1-c1ccc(CNC)cc1,AJQVYWZIOHTKIP-UHFFFAOYSA-N
+rxn:5:181064:223306:229320,COc1cc(-c2cc(F)cs2)ccc1-c1ccc2c(c1)CNCC2,LXWVDKDYROLXCY-UHFFFAOYSA-N
+rxn:5:181276:223462:223199,CCc1cc(-c2cc(C)[nH]n2)ccc1-c1cccc(C2CCNC2)c1,ATLKZKXIHYBJDX-UHFFFAOYSA-N
+rxn:5:181280:227303:229308,CCc1cc(-c2cc(C)no2)ccc1-c1cccc(CN(C)C)c1F,CAPPDPFHFBHLQK-UHFFFAOYSA-N
+rxn:5:181497:229338:223311,c1cc(-c2ccc(-c3ccc(-c4ccns4)o3)cc2)cc(C2CNC2)c1,QFZSVJVJUAXVKI-UHFFFAOYSA-N
+rxn:5:181737:223312:229342,c1cc(-c2ccc(-c3ccc(C4CNC4)cc3)cc2)cc(-c2cnsc2)c1,KBAUBFZNPHZHIX-UHFFFAOYSA-N
+rxn:5:182442:223311:229340,c1cc(-c2ccc(-c3ncco3)cc2)cc(C2CNC2)c1,PHAMSSNBGVVYTN-UHFFFAOYSA-N
+rxn:5:189249:228778:229076,CCN(C)Cc1ccc(-c2sc(C#N)cc2C)cc1-c1cccc(OC)c1F,QJKHVSGSKZUUEC-UHFFFAOYSA-N
+rxn:5:191338:223400:229331,CNCc1cccc(-c2cc(CC#N)ccc2-c2cccs2)c1,FBGAIFKQUSWIHV-UHFFFAOYSA-N
+rxn:5:192488:228252:229076,COc1ccc(C)c(F)c1-c1cc(-c2sc(C#N)cc2C)ccc1CN(C)C,UDECARIWMQCOTC-UHFFFAOYSA-N
+rxn:5:192488:228923:229076,CSc1ccnc(F)c1-c1cc(-c2sc(C#N)cc2C)ccc1CN(C)C,ZJQZXIVLKFBNGD-UHFFFAOYSA-N
+rxn:5:192488:229233:229030,COc1ccc(-c2cc(-c3cc(F)ccc3C)ccc2CN(C)C)s1,QEULRPCAOYYLPQ-UHFFFAOYSA-N
+rxn:5:192490:229226:228160,CCOc1cccc(F)c1-c1cc(-c2ccc(C#N)s2)ccc1CN(C)C,CAKOWQUQWTYMMY-UHFFFAOYSA-N
+rxn:5:192490:229320:227692,COc1c(-c2cc(-c3cc(F)cs3)ccc2CN(C)C)cccc1[N+](=O)[O-],OLRHGVXNXKQRMI-UHFFFAOYSA-N
+rxn:5:192492:227895:228590,Cc1cccc(-c2cc(CN(C)C)ccc2-c2ccc(C=CC#N)cc2)c1C#N,JZDPUTQOANLJFT-UHFFFAOYSA-N
+rxn:5:192492:228150:228832,COC(=O)c1ccc(-c2ccc(CN(C)C)cc2-c2cc(C)cc(F)c2F)cc1,ZZTWPPVFLKKYSK-UHFFFAOYSA-N
+rxn:5:192492:229088:229029,CC(=O)c1csc(-c2ccc(CN(C)C)cc2-c2ccc(F)c(C)c2)c1,DISXFEWIQMPVEV-UHFFFAOYSA-N
+rxn:5:192492:229331:228740,CN(C)Cc1ccc(-c2cccs2)c(-c2ccc(C#N)cc2F)c1,JQMXVFUWDQEMQP-UHFFFAOYSA-N
+rxn:5:192713:227074:229230,CCOc1c(C)cc(C)cc1-c1cc(-c2cc(C#N)cs2)ccc1CN1CCC1,XAZTWGRRSVZHBN-UHFFFAOYSA-N
+rxn:5:192713:228541:223464,c1cc(-c2ccc(CN3CCC3)c(-c3ccc4c(c3)COC4)c2)c[nH]1,MVODCMYMQPOQCA-UHFFFAOYSA-N
+rxn:5:192713:229320:229235,COc1ccsc1-c1ccc(CN2CCC2)c(-c2cc(F)cs2)c1,ZIBOBJWSEFUUBG-UHFFFAOYSA-N
+rxn:5:192714:223422:229031,Cc1ccc(-c2cc(CN3CCC3)ccc2-c2ccc(/C=N/O)cc2)c(F)c1,RZLAWQRRBJVUPN-CVKSISIWSA-N
+rxn:5:192714:229226:229228,N#Cc1ccc(-c2ccc(CN3CCC3)cc2-c2ccsc2C#N)s1,PCXDRAUXEPHVFU-UHFFFAOYSA-N
+rxn:5:193681:223446:228536,Cc1cc(-c2ccc(-c3cccc4ccoc34)c(OC3CCN(C)CC3)c2)ccn1,ZDHRLCMRERNVBL-UHFFFAOYSA-N
+rxn:5:193681:223467:229227,CN1CCC(Oc2cc(-c3ncc[nH]3)ccc2-c2csc(C#N)c2)CC1,BHPMEJLNMKTILQ-UHFFFAOYSA-N
+rxn:5:193681:228980:229334,C#Cc1cccc(-c2ccc(-c3cnoc3)c(OC3CCN(C)CC3)c2)c1,MXAGQNLRZMOGNU-UHFFFAOYSA-N
+rxn:5:193681:229227:229236,COc1csc(-c2ccc(-c3csc(C#N)c3)cc2OC2CCN(C)CC2)c1,NUKXZGWVAQQTKL-UHFFFAOYSA-N
+rxn:5:193681:229230:229239,CSc1ccsc1-c1ccc(-c2cc(C#N)cs2)cc1OC1CCN(C)CC1,RBHBGEHQRCJNSV-UHFFFAOYSA-N
+rxn:5:193681:229233:229320,COc1ccc(-c2ccc(-c3cc(F)cs3)c(OC3CCN(C)CC3)c2)s1,ZCQANHGFHWUPDV-UHFFFAOYSA-N
+rxn:5:193681:229336:228992,CN1CCC(Oc2cc(-c3cncs3)ccc2-c2cccc(C#N)c2)CC1,QYWABLWFDSLYDZ-UHFFFAOYSA-N
+rxn:5:195316:223311:229332,COc1nc(-c2ccoc2)ccc1-c1cccc(C2CNC2)c1,WCTRUQVRURWSRK-UHFFFAOYSA-N
+rxn:5:195525:223311:229308,CCc1cc(-c2cc(C)no2)ncc1-c1cccc(C2CNC2)c1,FUCGYOLKTCUNPT-UHFFFAOYSA-N
+rxn:5:195525:223398:229227,CCc1cc(-c2csc(C#N)c2)ncc1-c1ccc(CNC)cc1,ROPMONOYRZMHMM-UHFFFAOYSA-N
+rxn:5:195899:229344:223312,c1nc(-c2nc(-c3ccc(-c4ccc(C5CNC5)cc4)cc3)cs2)co1,HTKUMLPBSPUXOK-UHFFFAOYSA-N
+rxn:5:198084:223007:229227,N#Cc1cc(-c2ncc(-c3cc(F)cc(C4CCNCC4)c3)s2)cs1,FTQLYJYFUIGWND-UHFFFAOYSA-N
+rxn:5:198084:223306:229317,Fc1ccc(-c2ncc(-c3ccc4c(c3)CNCC4)s2)s1,BVDQPHIRBXSSFH-UHFFFAOYSA-N
+rxn:5:198085:223312:229206,CCc1cc(-c2cnc(-c3ccc(C4CNC4)cc3)s2)cs1,HMHBDFJKZZDHKF-UHFFFAOYSA-N
+rxn:5:198230:223311:229338,Cc1cc(-c2ccns2)ncc1-c1cccc(C2CNC2)c1,MCPDXFOKBCATOX-UHFFFAOYSA-N
+rxn:5:198230:223398:229332,CNCc1ccc(-c2cnc(-c3ccoc3)cc2C)cc1,PKERQGITABNCOZ-UHFFFAOYSA-N