Added 40 molecules from epoch 19525 for P23977

P23977_molecules.csv

@@ -36199,3 +36199,43 @@ rxn:4:208261:225601,C#Cc1ncc(-c2ccc(C3(C#N)CCC3)cc2F)c(C)n1,VIUUPIQKEUAMSM-UHFFF
 rxn:4:211469:222803,FC(F)(F)c1cc(-c2ccc3nc(Cl)cn3c2)ccc1C1CCNC1,ZAGUXGZNKCPDKL-UHFFFAOYSA-N
 rxn:4:222389:174271,CCOc1c(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)ccc(OCc2ccccc2)c1F,MYQSOFHGHYHBMD-UHFFFAOYSA-N
 rxn:4:224331:196637,Cc1cc(N2C(=O)C=CC2=O)ccc1-c1ccc(-c2ccc(C(F)(F)F)cc2)nc1,IQFAKRDNTACQAL-UHFFFAOYSA-N
+rxn:4:176512:223280,FC(=CC(F)(F)F)Oc1ccc(-c2cnc(C3CCNC3)nc2)cc1,HZKHTKGYMWTUBQ-UHFFFAOYSA-N
+rxn:4:178735:223240,O=C(c1ccc(-c2ccc(C3CCNC3)nc2)c(Cl)c1)C(F)F,PHRBITWLVKTVIQ-UHFFFAOYSA-N
+rxn:4:180150:222405,COc1ccc(-c2ccc(-c3cccc(C4NC(=O)NC4=O)c3)cc2Cl)cc1,KXTMBKDYGIPRRU-UHFFFAOYSA-N
+rxn:4:183319:223240,c1cc(C2CCNC2)ncc1-c1ccc2c(c1)C1CCC2C1,MCQOJAXIRRWFNH-UHFFFAOYSA-N
+rxn:4:186543:224013,O=C(ON1C(=O)CCC1=O)c1ccc(C(F)(F)F)c(-c2cnc(-c3ccc(C(F)(F)F)cc3)nc2Cl)c1,OJAUHOCEIXKMII-UHFFFAOYSA-N
+rxn:4:187072:225316,CCOc1cc(C(=O)N2CCOCC2)ccc1-c1cnc(-c2cccc(F)c2)nc1Cl,SZUSZCWGNHCVBR-UHFFFAOYSA-N
+rxn:4:188746:223242,FC1(F)CC1COc1ccc(-c2ccnc(C3CCNC3)c2)nc1,BHAKAKOEDMUWAW-UHFFFAOYSA-N
+rxn:4:189071:227682,N#Cc1cc(-c2ccc(OCC3CCC3)nc2)cc([N+](=O)[O-])c1,SIZNQQLFVYFPFF-UHFFFAOYSA-N
+rxn:4:189785:225837,COc1c(-c2cnc(-c3ccc(Cl)cc3)nc2)cc([N+](=O)[O-])cc1C(C)(C)C,WQVXOAOWHZXNID-UHFFFAOYSA-N
+rxn:4:191772:228216,COc1cc(Cl)c([N+](=O)[O-])cc1-c1cncc(C2CC2)c1Cl,TZUIFLDQFNPCNG-UHFFFAOYSA-N
+rxn:4:192547:228232,Clc1ncc(-c2ccc(OC3CCOC3)nc2)cc1C1CC1,OELMVISVGWESMM-UHFFFAOYSA-N
+rxn:4:192580:228882,COc1ncc(-c2cnc(OC3CCSC3)c(F)c2)c(C)n1,IZLQPSBLELNUHJ-UHFFFAOYSA-N
+rxn:4:192585:228714,Cc1cc(C#N)ncc1-c1ccc(F)c(C2(C#N)CCC2)c1,QVFJVLYKVPMXRS-UHFFFAOYSA-N
+rxn:4:192586:228761,COc1cc(-c2ccc(C3(C#N)CCC3)c(F)c2)cnc1C,SVPGVFKAFUJGRO-UHFFFAOYSA-N
+rxn:4:192847:228216,Clc1c(-c2ccc(OC3CCCC3)cn2)cncc1C1CC1,BBMHFFBKKPGBGR-UHFFFAOYSA-N
+rxn:4:192962:223001,COc1ccccc1-c1ccc(-c2cc(C3CCCNC3)ccc2F)c(F)n1,PZLQPBUCBQHGIE-UHFFFAOYSA-N
+rxn:4:194937:223005,C#Cc1ncc(-c2ccc(C3CCNCC3)c(Cl)c2)cc1F,UCWQNMTVLUYOOS-UHFFFAOYSA-N
+rxn:4:195000:223002,N#Cc1ccc(-c2ccc(C3CCNCC3)cc2F)c(F)c1F,RSGQYCODVDCPFM-UHFFFAOYSA-N
+rxn:4:195068:225683,Cc1nc(C2CCCOC2)ccc1-c1ccc(N=C=S)c(F)c1,UFZSZYRVXPPRJS-UHFFFAOYSA-N
+rxn:4:195124:225723,CN(C)CCOc1ccc(-c2ccc(C(F)F)c(F)n2)cc1Cl,BKDJLIKNTHJYLM-UHFFFAOYSA-N
+rxn:4:195128:225723,CN(C)CCOc1ccc(-c2cnc(F)c(C(F)F)c2)cc1Cl,ROXSAHXGRUWVAO-UHFFFAOYSA-N
+rxn:4:195151:223127,Fc1cc(CNC2CC2)ccc1-c1ccc(N=C=S)c(F)c1F,DZYDAYWFBLBWMT-UHFFFAOYSA-N
+rxn:4:195388:223200,[O-][n+]1cc(C(F)(F)F)ccc1-c1ccc(C2CCNC2)cc1,FBQCEAZIEOTJCV-UHFFFAOYSA-N
+rxn:4:195632:226466,Cc1cc([N+](=O)[O-])cc(-c2ccc3c(c2)OCC(=O)N3C)c1Cl,GCPGLAVONWLCPL-UHFFFAOYSA-N
+rxn:4:195820:227458,CN1CCOc2cc(-c3cnc(Cl)c(C4CC4)c3F)cnc21,MMRDWGQWCFQOFF-UHFFFAOYSA-N
+rxn:4:195820:227626,Fc1c(-c2cnc(C3CCOC3)nc2)cnc(Cl)c1C1CC1,MHULSBGIRWMEGK-UHFFFAOYSA-N
+rxn:4:196246:226587,Fc1cc(OC2CCC2)ncc1-c1ccnc(C2CCC2)c1F,HJINSIFHFVOAMH-UHFFFAOYSA-N
+rxn:4:196816:223311,c1cc(-c2ccc(C3CCOCC3)cn2)cc(C2CNC2)c1,SOWJDALCZFDAGZ-UHFFFAOYSA-N
+rxn:4:196853:223311,c1cc(-c2ccc(C3CCCOC3)nc2)cc(C2CNC2)c1,OSPVDMOJPAWPHW-UHFFFAOYSA-N
+rxn:4:196866:228837,Cc1ccc(-c2ccc(C3CCCOC3)nc2F)c(F)c1Cl,MFCBSBVLHJCURE-UHFFFAOYSA-N
+rxn:4:196868:223386,O/N=C/c1ccc(Cl)c(-c2ccc(C3CCCCO3)nc2F)c1,ZOGXHPBTHFLHTO-KEBDBYFISA-N
+rxn:4:197135:227426,c1cc(C2CCCO2)ncc1-c1cnc(C23CC(C2)C3)s1,QUBUXZWIKDYPLF-UHFFFAOYSA-N
+rxn:4:201287:228230,CC(F)(F)COc1ncc(-c2cnc(C3CC3)c(Cl)c2)cc1C#N,SVHDUANSCFJRCV-UHFFFAOYSA-N
+rxn:4:201287:228728,COc1ncc(-c2cnc(OCC(C)(F)F)c(C#N)c2)cc1C,YRGKHCOZRXURPD-UHFFFAOYSA-N
+rxn:4:201290:226337,CCCCOc1cnc(-c2cc(C3CC3)cc(C#N)c2Cl)cn1,IHIUSIJICYEHFS-UHFFFAOYSA-N
+rxn:4:205122:226508,COc1cc(C#N)c(-c2ccc(OCC3CC3)nc2F)cn1,MOYXTEMLCZFLBK-UHFFFAOYSA-N
+rxn:4:205878:226155,CC(=O)c1cc(-c2ccc(N3CC(CF)C3)nc2)cc(C2CC2)c1,NQJDYCFFNPERDB-UHFFFAOYSA-N
+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