Added 36 molecules from epoch 19526 for P23977

P23977_molecules.csv

@@ -36239,3 +36239,39 @@ rxn:4:205878:226155,CC(=O)c1cc(-c2ccc(N3CC(CF)C3)nc2)cc(C2CC2)c1,NQJDYCFFNPERDB-
 rxn:4:211188:222803,Cn1ncc(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)c1Cl,SDHVMVHPEWMPBV-UHFFFAOYSA-N
 rxn:4:214082:223847,CCCCCC1CCC(c2ccc(-c3ccc(CN4CCN(C(C)C)CC4)c(N4CCOCC4)c3)cc2)CC1,AMWCJXJDVMJPQS-UHFFFAOYSA-N
 rxn:4:217592:225674,Fc1cc(C2CCCCC2)ncc1-c1cnc2c(C3CC3)cnn2c1,HNMUIUAAKHBXNN-UHFFFAOYSA-N
+rxn:4:176366:223241,FC(F)(F)CSc1ccc(-c2cncc(C3CCNC3)c2)cc1,BKSXAISUTKTRGF-UHFFFAOYSA-N
+rxn:4:176367:223241,FCC(F)(F)Oc1ccc(-c2cncc(C3CCNC3)c2)cc1,YZGPDZYCBNKOOE-UHFFFAOYSA-N
+rxn:4:176408:223200,Fc1c(OCC(F)F)ccc(-c2ccc(C3CCNC3)cc2)c1F,LUAJFIPZHRAKGQ-UHFFFAOYSA-N
+rxn:4:181494:223240,Fc1cc(-c2ccc(C3CCNC3)nc2)cc(C2CC2(F)F)c1,BLUVLOGWVZPRMH-UHFFFAOYSA-N
+rxn:4:182104:222405,O=C1NC(=O)C(c2cccc(-c3ccc(C4=CCC5(CC4)OCCO5)cc3)c2)N1,RYWRQYLXBUXCCD-UHFFFAOYSA-N
+rxn:4:183508:224390,CCOC(=O)Cc1cc(C#N)c(-c2cnc(-c3ccc(C(F)(F)F)cc3)nc2)cc1C(F)F,AUDARTWRNYKADO-UHFFFAOYSA-N
+rxn:4:191310:222998,Fc1cc(-c2cnc(OC(F)F)c(F)c2)cc(C2CCCNC2)c1,NQKFJFYBDGJMIW-UHFFFAOYSA-N
+rxn:4:192034:225677,COC(=O)c1cc(-c2ccc(C3CCCCC3)nc2F)cnc1C,WWXFEEZXUAFBTN-UHFFFAOYSA-N
+rxn:4:192580:227283,N#Cc1cc(-c2cnc(OC3CCSC3)c(F)c2)cc(C2CC2)n1,KSOSVKSIHWOBFO-UHFFFAOYSA-N
+rxn:4:192580:228382,COc1nc(C)c(Cl)cc1-c1cnc(OC2CCSC2)c(F)c1,AYCOELPHIPKZJO-UHFFFAOYSA-N
+rxn:4:193345:222857,COc1cc(-c2cc(F)cc(CN3CCOCC3)c2)cc(C2CCNCC2)c1,BKCDYDMMOMPGDO-UHFFFAOYSA-N
+rxn:4:194936:222886,C#Cc1ncc(-c2ccc(N3CCNCC3)cc2C#N)cc1Cl,LIFLVNHKXSCRQN-UHFFFAOYSA-N
+rxn:4:194938:223005,FC(F)(F)c1ccc(-c2ccc(C3CCNCC3)c(Cl)c2)[nH]1,XVMWGRLDBJUPKT-UHFFFAOYSA-N
+rxn:4:195128:225724,CN(C)CCOc1ccc(-c2cnc(F)c(C(F)F)c2)cc1F,BBFAHDDLUHXNNS-UHFFFAOYSA-N
+rxn:4:195152:222985,Cc1nc(C2CCCNC2)ccc1-c1cc(F)c(N=C=S)cc1F,KUHLXQAIXQVAHI-UHFFFAOYSA-N
+rxn:4:195152:226040,Cc1c(-c2cc(F)c(N=C=S)cc2F)cc([N+](=O)[O-])cc1[N+](=O)[O-],VQVMYSFMMGNSHP-UHFFFAOYSA-N
+rxn:4:195316:222915,COc1nc(Cl)ccc1-c1ccc(C(=O)NC2=NCCS2)cc1,UPXMGQMHOQHVKT-UHFFFAOYSA-N
+rxn:4:196163:226665,Cc1ncc(-c2cnc(C3CCCOC3)nc2)cc1C(C)(F)F,JELQLJVKWNLCTF-UHFFFAOYSA-N
+rxn:4:196245:225923,Fc1c(C2CCC2)ccnc1-c1cnc(OC2CCCC2)nc1Cl,BIXSAIWYQBFUHQ-UHFFFAOYSA-N
+rxn:4:196285:228230,CC1(c2cncc(-c3cnc(C4CC4)c(Cl)c3)c2)CC1(F)F,NZBIHYNJZCBUIL-UHFFFAOYSA-N
+rxn:4:196616:227794,O=[N+]([O-])c1cc(Cl)c(F)c(-c2ccc(C3COCCO3)nc2F)c1,MMLGJLVZONKORN-UHFFFAOYSA-N
+rxn:4:197884:227426,Cc1ccc(N2C(=O)c3ccc(Cl)cc3C2=O)cc1-c1ccc(C2CCCO2)nc1,OIJKOBBAIVPZQJ-UHFFFAOYSA-N
+rxn:4:201287:225249,CC(F)(F)COc1ncc(-c2cncc(-c3cc(F)cc(F)c3)c2)cc1C#N,GDXLFSCKLYUXQL-UHFFFAOYSA-N
+rxn:4:202306:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCN(CC)CC4)cc(C(C)(C)C)c3)cc2)CC1,KGSIOIHJFBTDIC-FBSWEULCSA-N
+rxn:4:202969:222659,NOCc1ccc([N+](=O)[O-])cc1-c1ccc(C(=O)Nc2ccc(F)cc2)cc1,XQPICFGFODPVSM-UHFFFAOYSA-N
+rxn:4:202978:226890,O=C([O-])[CH+]C=Cc1ncc(-c2cc(F)c(C(F)(F)F)cc2Cl)cn1,AVYMAFUSIDHIGQ-UHFFFAOYSA-N
+rxn:4:204091:224494,Cc1cc(CN2CCC(N(C)C)CC2)ccc1-c1ccc(CCOC2CCCCO2)cc1,BDGOMAKUPNMLIT-UHFFFAOYSA-N
+rxn:4:205024:225209,Cc1nc(N2CCCCC2C)ncc1-c1cc([N+](=O)[O-])ccc1C#N,NMLFWWBTYRCQEC-UHFFFAOYSA-N
+rxn:4:205037:227295,N#Cc1c(F)cc([N+](=O)[O-])cc1-c1ccnc(OC2CCC2)c1,JVKNHVCBSHKLLZ-UHFFFAOYSA-N
+rxn:4:205317:225674,CCc1cnc(-c2cnc(C3CCCCC3)cc2F)cc1[N+](=O)[O-],RWKGJWHJPJOEOA-UHFFFAOYSA-N
+rxn:4:205344:224001,COc1nc(C)c(-c2cnc(-c3ccc(C(F)(F)F)cc3)c(Cl)c2)cc1C#N,MCFJLMKPUCEXCP-UHFFFAOYSA-N
+rxn:4:205660:227690,COc1cc([N+](=O)[O-])ccc1-c1cnc(OC2CCSC2)nc1,ZMGYTXYREZJGLX-UHFFFAOYSA-N
+rxn:4:206243:225229,Cc1cccc(-c2ncc(-c3cncc(C(=O)N4CCC(F)(F)C4)c3)c(Cl)n2)c1,GTXMYGAGOGEFIQ-UHFFFAOYSA-N
+rxn:4:208231:222925,COc1nc(Cl)ncc1-c1ccc(C2CNC2)c(C(F)(F)F)c1,WPYSMIWYDTVHTJ-UHFFFAOYSA-N
+rxn:4:211332:222803,FC(F)(F)c1cc(-c2ccc3oc(Cl)nc3n2)ccc1C1CCNC1,BXHLIDFESDOUNO-UHFFFAOYSA-N
+rxn:4:217545:225982,Cc1c([N+](=O)[O-])cc(-c2cnc(N3CCOCC3)cc2F)c2[nH]ncc12,HTYCLSBEIMAHKE-UHFFFAOYSA-N