Added 43 molecules from epoch 21829 for P23977

P23977_molecules.csv

@@ -48572,3 +48572,46 @@ rxn:5:198140:229236:223312,COc1csc(-c2cncc(-c3ccc(C4CNC4)cc3)c2)c1,YNCFZSAKNRIVR
 rxn:5:198199:229320:228140,CC(c1ccc(-c2ccc(-c3cc(F)cs3)c[n+]2[O-])s1)N(C)C,NPMMYHQUZJQLLG-UHFFFAOYSA-N
 rxn:5:198322:229313:223311,Cc1cc(-c2cc(C)c(-c3cccc(C4CNC4)c3)c(C)n2)sn1,LFZHJYBZRIWHBT-UHFFFAOYSA-N
 rxn:5:198527:229330:223398,CNCc1ccc(-c2c[nH]c3cc(-c4ccsc4)ccc23)cc1,QIPYGYDCRLAFBN-UHFFFAOYSA-N
+rxn:5:176994:229308:223400,CNCc1cccc(-c2ccc(-c3cc(C)no3)cc2OCC2CC2)c1,PHOYTLPZRALUFS-UHFFFAOYSA-N
+rxn:5:178711:228999:228695,C#CCc1cc(-c2cncc(C#C)c2)ccc1-c1csc(CN(C)C)c1,HLTLAFGEASKDSV-UHFFFAOYSA-N
+rxn:5:178711:229291:223199,C#CCc1cc(-c2cc(C)cs2)ccc1-c1cccc(C2CCNC2)c1,WQNLSPKKBDLAPI-UHFFFAOYSA-N
+rxn:5:180874:223360:229230,C#Cc1ccc(-c2cc(C#N)cs2)cc1-c1cccc(CNC)c1F,OFRPKADJTWGYKU-UHFFFAOYSA-N
+rxn:5:180876:223312:227130,C#Cc1ccc(-c2ccc(C3CNC3)cc2)cc1-c1ccc(-c2ccoc2)cc1,HPNIBLSHGLOGIT-UHFFFAOYSA-N
+rxn:5:180877:229227:223398,C#Cc1ccc(-c2ccc(CNC)cc2)c(-c2csc(C#N)c2)c1,LEFRSQFZFWVMIW-UHFFFAOYSA-N
+rxn:5:180879:228692:229308,C#Cc1cc(-c2cc(C)no2)ccc1-c1ccc(CN(C)C)s1,NCTXPTPZLVMULK-UHFFFAOYSA-N
+rxn:5:180879:229331:223398,C#Cc1cc(-c2ccc(CNC)cc2)ccc1-c1cccs1,AALCBNJDDNSFCY-UHFFFAOYSA-N
+rxn:5:181064:223311:228999,C#Cc1cncc(-c2ccc(-c3cccc(C4CNC4)c3)c(OC)c2)c1,AUINCSCRIGFEDP-UHFFFAOYSA-N
+rxn:5:181280:223311:229288,CCc1cc(-c2ccc(C)s2)ccc1-c1cccc(C2CNC2)c1,OIYSZRVCVCCHKU-UHFFFAOYSA-N
+rxn:5:182442:223200:229050,c1cc2sc(-c3ccc(-c4ccc(C5CCNC5)cc4)cc3)cc2s1,OTYVHLQYAHVDLU-UHFFFAOYSA-N
+rxn:5:182442:223200:229226,N#Cc1ccc(-c2ccc(-c3ccc(C4CCNC4)cc3)cc2)s1,KDRPJCOENXFFKN-UHFFFAOYSA-N
+rxn:5:182442:223200:229292,Cc1occc1-c1ccc(-c2ccc(C3CCNC3)cc2)cc1,BJOMNROBBVSUGO-UHFFFAOYSA-N
+rxn:5:182442:223307:229291,Cc1csc(-c2ccc(-c3ccc4c(c3)CCNC4)cc2)c1,WBCTYHUDBIECED-UHFFFAOYSA-N
+rxn:5:182442:223312:227433,c1cc(-c2ccc(-c3ccc(C4CNC4)cc3)cc2)cc(-c2cscn2)c1,VSYFFUDECZGVLY-UHFFFAOYSA-N
+rxn:5:182442:223421:229332,CNC(C)c1ccc(-c2ccc(-c3ccoc3)cc2)s1,WXIRLKSCYKOWIT-UHFFFAOYSA-N
+rxn:5:182442:229180:223312,Fc1cc(-c2ccc(-c3ccc(C4CNC4)cc3)cc2)cnc1F,YUVULVOTAKQREQ-UHFFFAOYSA-N
+rxn:5:182500:223312:229342,Cc1cc(-c2cnsc2)ccc1-c1ccc(C2CNC2)cc1,HNTDYFVOITZYOD-UHFFFAOYSA-N
+rxn:5:182500:229317:223398,CNCc1ccc(-c2ccc(-c3ccc(F)s3)c(C)c2)cc1,ASSXGCUYKMENGF-UHFFFAOYSA-N
+rxn:5:182641:223312:229291,Cc1csc(-c2ccc3c(-c4ccc(C5CNC5)cc4)coc3c2)c1,KXRJSXNTZMAWRM-UHFFFAOYSA-N
+rxn:5:182647:223311:229346,c1cc(-c2cc3ccc(-c4cnon4)cc3s2)cc(C2CNC2)c1,BWEARSBLODASQM-UHFFFAOYSA-N
+rxn:5:182891:228980:223463,C#Cc1cccc(-c2cccc3c2CCC3c2ccc[nH]2)c1,NUIOVDCMFATMAH-UHFFFAOYSA-N
+rxn:5:182892:229330:223399,CNCc1ccccc1C1CCc2cc(-c3ccsc3)ccc21,NSOOPOBEOXYBJG-UHFFFAOYSA-N
+rxn:5:192490:227431:229332,CN(C)Cc1ccc(-c2ccc(-c3cscn3)cc2)cc1-c1ccoc1,FMTXCUPXZJHSEQ-UHFFFAOYSA-N
+rxn:5:192492:229227:229237,CSc1cc(-c2cc(CN(C)C)ccc2-c2csc(C#N)c2)cs1,OFQZNRIRKPLPHO-UHFFFAOYSA-N
+rxn:5:192713:229332:229317,Fc1ccc(-c2ccc(CN3CCC3)c(-c3ccoc3)c2)s1,LYRQVJNOINAVTR-UHFFFAOYSA-N
+rxn:5:192714:229230:229317,N#Cc1csc(-c2ccc(CN3CCC3)cc2-c2ccc(F)s2)c1,BBZCMWKXGXQKIV-UHFFFAOYSA-N
+rxn:5:193681:223465:229131,CN1CCC(Oc2cc(-c3ccn[nH]3)ccc2-c2ccc(F)cc2F)CC1,CCNFPZXZHUGZAM-UHFFFAOYSA-N
+rxn:5:193681:229270:229331,CN1CCC(Oc2cc(-c3cnc(C#N)s3)ccc2-c2cccs2)CC1,HLJQZLCONJELKR-UHFFFAOYSA-N
+rxn:5:195316:223311:229237,COc1nc(-c2csc(SC)c2)ccc1-c1cccc(C2CNC2)c1,QITZJOCLXDUYEI-UHFFFAOYSA-N
+rxn:5:195913:229342:223311,c1cc(-c2ccc(-c3cc(-c4cnsc4)on3)cc2)cc(C2CNC2)c1,AVBLAIKTLGCIBP-UHFFFAOYSA-N
+rxn:5:195926:229335:223311,c1cc(-c2ccc(-c3nc(-c4cscn4)cs3)cc2)cc(C2CNC2)c1,MGJJOEZBUVVDKO-UHFFFAOYSA-N
+rxn:5:198085:223199:229320,Fc1csc(-c2cnc(-c3cccc(C4CCNC4)c3)s2)c1,LLTABLFSYVKKSW-UHFFFAOYSA-N
+rxn:5:198088:223200:229291,Cc1csc(-c2csc(-c3ccc(C4CCNC4)cc3)n2)c1,IUNMGFWPKOBMRF-UHFFFAOYSA-N
+rxn:5:198120:223311:229014,CC(C)c1ccc(-c2ccc(-c3cccc(C4CNC4)c3)cn2)s1,SKJDWNQKZJTFRD-UHFFFAOYSA-N
+rxn:5:198120:228692:229217,CN(C)Cc1ccc(-c2ccc(-c3ccc(F)cc3)nc2)s1,YFRDGIVHMBLWMT-UHFFFAOYSA-N
+rxn:5:198122:223311:228972,FC(F)(F)c1csc(-c2ccc(-c3cccc(C4CNC4)c3)nc2)c1,ZSZPLZKFVYGHAB-UHFFFAOYSA-N
+rxn:5:198122:223311:229045,Cc1cc(F)cc(-c2ccc(-c3cccc(C4CNC4)c3)nc2)c1,BBGREXFAOGTDKE-UHFFFAOYSA-N
+rxn:5:198140:223200:229330,c1cc(-c2cncc(-c3ccc(C4CCNC4)cc3)c2)cs1,ALCMOXOYAIHSBF-UHFFFAOYSA-N
+rxn:5:198199:229317:223421,CNC(C)c1ccc(-c2ccc(-c3ccc(F)s3)c[n+]2[O-])s1,VGLHXRIAQZQXEU-UHFFFAOYSA-N
+rxn:5:198225:223312:229330,Cc1cc(-c2ccc(C3CNC3)cc2)cnc1-c1ccsc1,UGKKXUADBAEMPN-UHFFFAOYSA-N
+rxn:5:198230:228692:229320,Cc1cc(-c2cc(F)cs2)ncc1-c1ccc(CN(C)C)s1,CXQLTUUIQZWYLZ-UHFFFAOYSA-N
+rxn:5:198527:229331:223312,c1csc(-c2ccc3c(-c4ccc(C5CNC5)cc4)c[nH]c3c2)c1,WQEKWFSCDGMRQA-UHFFFAOYSA-N