Added 39 molecules from epoch 19531 for P23977

P23977_molecules.csv

@@ -36423,3 +36423,42 @@ rxn:4:217285:225201,N#Cc1c(-c2ccc(OC3CCCC3)c(F)c2F)ccc2[nH]ncc12,KGKBEHCIMFYPJF-
 rxn:4:217311:223664,O=[N+]([O-])c1cc(-c2ccc(COc3ccc(OC(F)(F)F)cc3)cc2)c2[nH]ncc2c1,FSHGVYXGUYXIRR-UHFFFAOYSA-N
 rxn:4:217340:225657,Cc1cc(-c2cc([N+](=O)[O-])cc3nc[nH]c23)ccc1N1CCOCC1,LDZBUPDNDDPJLF-UHFFFAOYSA-N
 rxn:4:223410:185754,FC(F)(F)C(Oc1cncc(-c2c[nH]c3cnccc23)c1)C(F)(F)F,MYUUDQABYLSHMF-UHFFFAOYSA-N
+rxn:4:179355:223199,O=C(c1ccc(-c2cccc(C3CCNC3)c2)cc1)C1CC1,OHYXRPAVYOLQCF-UHFFFAOYSA-N
+rxn:4:179388:225881,CSc1ccc(-c2ccc(C3CCOCC3)nc2F)cc1C(C)=O,WWWNDZLGJGKQRP-UHFFFAOYSA-N
+rxn:4:180986:223280,FC(F)(F)c1ccc(-c2cnc(C3CCNC3)nc2)cc1Cl,YPIFUZFHPUZKFL-UHFFFAOYSA-N
+rxn:4:181060:226025,Clc1nc(OC2CCOC2)ncc1-c1cc(C2CC2)co1,NVFRVTSGVYPBHL-UHFFFAOYSA-N
+rxn:4:181166:223200,CSc1c(-c2ccc(C3CCNC3)cc2)cc(F)c(F)c1F,VDENMNQLEHPSAN-UHFFFAOYSA-N
+rxn:4:181605:223200,Cc1cc(C(F)F)c(C)cc1-c1ccc(C2CCNC2)cc1,NKGVSDLZSNITJZ-UHFFFAOYSA-N
+rxn:4:183504:224390,CCOC(=O)Cc1cc(C(F)F)c(-c2cnc(-c3ccc(C(F)(F)F)cc3)nc2)cc1C#N,RVRUDJDXRLTJIQ-UHFFFAOYSA-N
+rxn:4:191376:225849,C#Cc1cc(-c2cnc(N3CCCCC3)cc2F)cc([N+](=O)[O-])c1,QCPVNNKAMLYCKO-UHFFFAOYSA-N
+rxn:4:191635:227628,O=[N+]([O-])c1cc(-c2cnc(C3CCC3)nc2Cl)c(F)cc1C(F)(F)F,HQVIMTIQJXLIKR-UHFFFAOYSA-N
+rxn:4:192580:228817,Cc1ccc(-c2cnc(OC3CCSC3)c(F)c2)c(=O)n1C,HSWIXISECXQLPF-UHFFFAOYSA-N
+rxn:4:192851:226665,c1nc(C2CCCOC2)ncc1-c1cc(C2CC2)nc(C2CC2)c1,GFSIVXBREOLMCE-UHFFFAOYSA-N
+rxn:4:193590:226814,Cc1cc(C(=O)N2CCOCC2)cc(-c2cnc(-c3ccco3)nc2Cl)c1,YGBWJUOIQNBESO-UHFFFAOYSA-N
+rxn:4:193823:222405,CC(C)(C)c1ccc(-c2ccc(-c3cccc(C4NC(=O)NC4=O)c3)nc2)cc1,IUXQNZJNAHDVPU-UHFFFAOYSA-N
+rxn:4:195095:225724,CN(C)CCOc1ccc(-c2cnc(Cl)c(C(F)F)c2)cc1F,RONFWTZDXHDKPY-UHFFFAOYSA-N
+rxn:4:195127:222985,Cc1nc(C2CCCNC2)ccc1-c1ccc(F)c(C(F)F)n1,XQHVWNLQZHYBRY-UHFFFAOYSA-N
+rxn:4:195230:222925,Fc1cc(-c2ccc(C3CNC3)c(C(F)(F)F)c2)ncc1C(F)(F)F,CXJRWKXTALYNLT-UHFFFAOYSA-N
+rxn:4:195282:222925,CSc1cc(-c2ccc(C3CNC3)c(C(F)(F)F)c2)ccn1,FCGQRWCPTPQLOJ-UHFFFAOYSA-N
+rxn:4:195454:226730,CC(=O)c1cnc(F)c(-c2cnc(OC3CCC3)nc2Cl)c1,XDFDJNLUUBCSIN-UHFFFAOYSA-N
+rxn:4:195600:223241,Cc1cc(N=C=S)c(F)cc1-c1cncc(C2CCNC2)c1,KGQKJRZKKPAUGC-UHFFFAOYSA-N
+rxn:4:195612:226730,Cc1cc(-c2cnc(OC3CCC3)nc2Cl)cc([N+](=O)[O-])c1Cl,ACVZXSPXAPNMSM-UHFFFAOYSA-N
+rxn:4:195793:226730,COc1c(Cl)ncc(-c2cnc(OC3CCC3)nc2Cl)c1C,BUFZOQFZRHFDDD-UHFFFAOYSA-N
+rxn:4:195815:226572,COc1ncc(Cl)c(C)c1-c1cnc(OC2CCCC2)nc1,KCUXEXHFVJRIHB-UHFFFAOYSA-N
+rxn:4:196285:228353,CN(C)c1ncc(-c2cncc(C3(C)CC3(F)F)c2)cc1Cl,RBYMVDIHALXXKU-UHFFFAOYSA-N
+rxn:4:196290:226665,CC1(c2ccnc(-c3cnc(C4CCCOC4)nc3)c2)CC1(F)F,NGOMZUBWERHDLC-UHFFFAOYSA-N
+rxn:4:196501:226730,Clc1nc(OC2CCC2)ncc1-c1cc(C2CCSC2)ccn1,ISHSJGVLFSULCV-UHFFFAOYSA-N
+rxn:4:196526:228362,Fc1nc(C2CCOC2)ccc1-c1cnc(Cl)nc1C1CC1,QGDHKNRBESWDDV-UHFFFAOYSA-N
+rxn:4:198151:222803,Fc1cc(Cl)c(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)cn1,RYZREUPSRLALQT-UHFFFAOYSA-N
+rxn:4:199304:228230,CN1CCc2cc(F)c(-c3cnc(C4CC4)c(Cl)c3)cc2C1,WJORJVRAJOOUJL-UHFFFAOYSA-N
+rxn:4:202984:222510,CCOc1cc(C(F)(F)F)nnc1-c1cc(F)cc(C(=O)Nc2ccc(C)cc2Cl)c1,HKCFRNYYDKWADL-UHFFFAOYSA-N
+rxn:4:203046:227801,Cn1nc(COS(C)(=O)=O)cc1-c1c(C(F)(F)F)ccnc1F,NLIQCNXGTFLVPW-UHFFFAOYSA-N
+rxn:4:205660:228329,CCOc1cc(-c2cnc(OC3CCSC3)nc2)c(Cl)cn1,KTYDODLEBJYSBZ-UHFFFAOYSA-N
+rxn:4:205990:224764,O=C(c1ccc(-c2ncc(-c3ccc(C(F)(F)F)cc3)cn2)c(F)c1)N1CCOCC1,SSKHNCUHWHHBFD-UHFFFAOYSA-N
+rxn:4:208141:225217,CC1CCCN(c2cc(F)c(-c3cnc(Cl)c([N+](=O)[O-])c3)cn2)C1,OUVWYLXSCQBIIE-UHFFFAOYSA-N
+rxn:4:208339:223005,FS(F)(F)(F)(F)c1ncc(-c2ccc(C3CCNCC3)c(Cl)c2)cn1,MNKRJELIXDYOMA-UHFFFAOYSA-N
+rxn:4:210528:225684,Cc1nc(C2CCOCC2)ccc1-c1cnc2c(c1)C(C#N)CCC2,ITAZOHJAFQZYFC-UHFFFAOYSA-N
+rxn:4:215320:224378,N#Cc1ncc([N+](=O)[O-])cc1-c1cnc(N2CCCCC2)c(C(F)(F)F)c1,YZSPAJMBZBQYFK-UHFFFAOYSA-N
+rxn:4:217229:225320,N#Cc1cnc2c(-c3ccc(N4CCOCC4)c(F)c3F)c[nH]c2c1,ORJUZQQNWUWONQ-UHFFFAOYSA-N
+rxn:4:217278:225320,N#Cc1c[nH]c2c(-c3ccc(N4CCOCC4)c(F)c3F)cncc12,IPNGNQVKGDJOLQ-UHFFFAOYSA-N
+rxn:4:217545:225208,Cc1nc(N2CCCC(C)C2)ncc1-c1cc([N+](=O)[O-])c(C)c2cn[nH]c12,RQZMYQKZRHAZON-UHFFFAOYSA-N