Added 37 molecules from epoch 20790 for P23977

P23977_molecules.csv

@@ -41217,3 +41217,40 @@ rxn:2:80092:106742,CSc1ccc2c(c1)CCC2Nc1cnc2[nH]ncc2c1,TWLNNFQVYHJITR-UHFFFAOYSA-
 rxn:2:81892:71586,c1cc(-c2cc(NC3CC(c4ccsc4)C3)n[nH]2)ccn1,QNUMXALSAPPIMX-UHFFFAOYSA-N
 rxn:2:86339:71586,Cc1nnc(-c2ccc(NC3CC(c4ccsc4)C3)nc2)s1,FHUBQJRTYVEKMI-UHFFFAOYSA-N
 rxn:2:96886:125030,CSCC1CCC(Nc2cn3nnnc3cc2C)CC1,USESZOJDMHZTFX-UHFFFAOYSA-N
+rxn:1:40235:357,Cc1ccc(-c2cn(CC=Cc3cnc(Cl)nc3N)nn2)s1,KTFJPTQOUISRNZ-UHFFFAOYSA-N
+rxn:1:41525:31836,Cc1cc(C#N)ncc1-c1cn(-c2cc(Cl)ccc2F)nn1,RQHANKRPDLTDIO-UHFFFAOYSA-N
+rxn:1:41816:31588,Cc1nc(C#N)ccc1-c1cn(-c2cc(Cl)ccc2Br)nn1,FXPJBSHMMMRNLL-UHFFFAOYSA-N
+rxn:1:41849:7315,COc1nc(-c2cn(CC=Cc3ccncc3Br)nn2)sc1C,ZWWPUKDIUYZWES-UHFFFAOYSA-N
+rxn:1:41976:31941,Cc1n[nH]c(C)c1C#CCn1cc(-c2cc(F)c(Cl)cc2N)nn1,QYPCXZZVWIOXSW-UHFFFAOYSA-N
+rxn:1:42269:27776,Cc1cc(Cl)ncc1C#CCn1cc(-c2cccc3[nH]cnc23)nn1,PPQZIKYXWXLEJF-UHFFFAOYSA-N
+rxn:1:50513:31110,Nc1ncc(-c2cn(CCCCCI)nn2)cc1Cl,KWZYWYAJCGTDOD-UHFFFAOYSA-N
+rxn:1:51558:39923,Nc1ccc(-c2cn(-c3cccc(C4CC4CCS)c3)nn2)nn1,KNUXGTMBWJCJME-UHFFFAOYSA-N
+rxn:1:54930:2578,Oc1c(F)cc(F)cc1-c1cn(-c2cccc(C3CC3CS)c2)nn1,PAMPICYFCXDJAM-UHFFFAOYSA-N
+rxn:1:55948:35845,Cc1cc2[nH]ncc2cc1-c1cncc(-c2cn(CCI)nn2)c1,ZGMVIXXNMDUDEE-UHFFFAOYSA-N
+rxn:1:57037:3313,Cc1cnc(CCCn2cc(-c3cc(C#N)c(F)cc3N)nn2)s1,AONGYRDDGNLYCF-UHFFFAOYSA-N
+rxn:1:57548:1429,Cc1sc(-c2cn(CCCc3cnc(Cl)nc3N)nn2)cc1Br,VOGZXKZZVOGHAT-UHFFFAOYSA-N
+rxn:1:57801:8557,NCc1cc(F)ccc1CCCn1cc(-c2csc(Br)c2)nn1,IREGDFDFIBZLKH-UHFFFAOYSA-N
+rxn:1:58998:3249,Cc1ncc(CCCCn2cc(-c3ncc(Br)s3)nn2)cc1N,LLKFDOHTPWYXDT-UHFFFAOYSA-N
+rxn:1:59886:2462,Cc1cc(-n2cc(CC3(C=O)CCC3)nn2)cnc1Br,KULBFSCLUKRDLV-UHFFFAOYSA-N
+rxn:1:59907:3915,COc1ccc(Br)cc1-n1cc(-c2cnc(O)c(F)c2)nn1,PPUAYNGEUYFCQJ-UHFFFAOYSA-N
+rxn:1:59915:32045,N[C@H]1CCOc2cc(-c3cn(Cc4sc(Br)cc4Br)nn3)ccc21,PRBAKEHCBUIZHC-LBPRGKRZSA-N
+rxn:1:59915:427,Brc1cc(Br)c(Cn2cc(-c3ncnc4nccnc34)nn2)s1,FAKGLLQOYKXYJW-UHFFFAOYSA-N
+rxn:1:61533:7438,COc1ncc(-c2cn(Cc3csc(Cl)n3)nn2)c(OC)n1,WBZFEYAYHQEDLG-UHFFFAOYSA-N
+rxn:1:62688:2134,CC1NCCCC1C(=O)c1cn(-c2cc(I)cc(I)c2I)nn1,DJEKUNGKNDMMTF-UHFFFAOYSA-N
+rxn:1:65661:31469,Cc1ncc(-c2cn(CC=Cc3ccsc3)nn2)cc1N,ATRJSVLSWOUIKY-UHFFFAOYSA-N
+rxn:2:100946:138122,Cn1[nH]c(NC2CCc3sccc3C2)c2ccc(=O)cc1-2,MVPQHEMAWWGLAG-UHFFFAOYSA-N
+rxn:2:102959:87505,Cc1n[nH]c2ncc(C(C)NCC#Cc3cccs3)cc12,COTVQZIWZOAWOO-UHFFFAOYSA-N
+rxn:2:109128:71586,Cc1c(NC2CC(c3ccsc3)C2)nn2cnnc2c1C,KRGQJKGJSGKTPC-UHFFFAOYSA-N
+rxn:2:110044:108204,c1cc2cc(NC3CCc4cscc4C3)ccc2cn1,BSNHQEMBGAYGRT-UHFFFAOYSA-N
+rxn:2:110094:90296,Cc1c(NC2CC(C3CC3)C2)cc2[nH]cnc2c1C,AQOBTMDQABXDFZ-UHFFFAOYSA-N
+rxn:2:110990:137914,COc1cc2cc[nH]c2nc1NC1CC(CCSC)C1,NBSCDVIKQJVBRY-UHFFFAOYSA-N
+rxn:2:124198:97171,CC(NCCC#Cc1ccsc1)c1ccc2[nH]ncc2n1,UDPZPMSUEGSIAF-UHFFFAOYSA-N
+rxn:2:124532:99104,CCOc1ncnc2sc(NC3CCc4ncsc4C3)cc12,BMNOWEYEOPDBQO-UHFFFAOYSA-N
+rxn:2:129760:70866,Cc1c(NC(C)c2cc3sccc3s2)cnc2nccnc12,YMZASKZINKPGPF-UHFFFAOYSA-N
+rxn:2:132723:137914,CSCCC1CC(Nc2cnc3c(C)cnn3c2)C1,PPLKXEXLHIUKPC-UHFFFAOYSA-N
+rxn:2:67304:111364,CSc1cc(NC(C)c2cnc3sccc3c2)ccn1,XLZSOENEEFSLET-UHFFFAOYSA-N
+rxn:2:67449:82772,Cc1cncc2[nH]cc(NC3CCCc4ccsc4C3)c12,VXDDETUSNIZSQN-UHFFFAOYSA-N
+rxn:2:68972:118376,N=c1c(NC2CCc3ccsc3C2)c[nH]c2ccccc12,NZXKJHXUGAARGZ-UHFFFAOYSA-N
+rxn:2:88623:71586,Cc1ccc(-c2cc(NC3CC(c4ccsc4)C3)n[nH]2)nc1,MMODPIRKGXWPGY-UHFFFAOYSA-N
+rxn:2:92934:71586,C(#Cc1ccc2[nH]nnc2c1)CNC1CC(c2ccsc2)C1,OHTUCLSDOZEIRE-UHFFFAOYSA-N
+rxn:2:99667:142194,Cc1ccc2c(c1)CC(NC(C)c1ccc3n[se]nc3c1)C2,LXCKUHHXKILMHB-UHFFFAOYSA-N