Added 38 molecules from epoch 19536 for P23977

P23977_molecules.csv

@@ -36611,3 +36611,41 @@ rxn:4:208306:225923,Cc1ccc(-c2cnc(OC3CCCC3)nc2Cl)c(C#N)n1,KVEBQKYWLFFCKK-UHFFFAO
 rxn:4:211234:222803,Cc1nc(F)nc(F)c1-c1ccc(C2CCNC2)c(C(F)(F)F)c1,YNGMLECMWAUUMQ-UHFFFAOYSA-N
 rxn:4:217311:224904,O=C(c1ccc(-c2cc([N+](=O)[O-])cc3cn[nH]c23)cc1)C1CCCCC1,HUKYMIQBYWWZER-UHFFFAOYSA-N
 rxn:4:222389:174491,CC1(C)COC(CCCC(=O)c2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2)OC1,AOPQYPUALURBAQ-UHFFFAOYSA-N
+rxn:4:173871:223365,COc1cc(OCC(F)(F)C(F)F)ccc1-c1cc2[nH]ncc2cc1F,NGTDPXXGXYNTMC-UHFFFAOYSA-N
+rxn:4:174976:223311,C#Cc1cc(OCC2CC2)ccc1-c1cccc(C2CNC2)c1,JGHDHBYAAUQIKS-UHFFFAOYSA-N
+rxn:4:176376:223311,FC(F)(F)COc1ccc(-c2cccc(C3CNC3)c2)cc1,JESIEKVQGSZMNG-UHFFFAOYSA-N
+rxn:4:179733:227490,CC(=O)c1cc(-c2cnc(OC(C)(C)C)nc2)cc(C(C)(F)F)c1,YDLPPXNRTADSHK-UHFFFAOYSA-N
+rxn:4:188097:223240,N#Cc1cc(OC(F)(F)F)ccc1-c1ccc(C2CCNC2)nc1,OMEMOKGFKKWZGX-UHFFFAOYSA-N
+rxn:4:188746:228179,COCc1cc(F)cc(-c2ccc(OCC3CC3(F)F)cn2)c1,BQXYJOWMIGRCTG-UHFFFAOYSA-N
+rxn:4:188746:228343,COC(=O)c1sc(-c2ccc(OCC3CC3(F)F)cn2)cc1C,YZBRBFNJCFFMCU-UHFFFAOYSA-N
+rxn:4:191725:223200,Cc1cc(OC(F)F)ncc1-c1ccc(C2CCNC2)cc1,RSWRZACIOVMVFP-UHFFFAOYSA-N
+rxn:4:192520:228216,Cc1cc(-c2cncc(C3CC3)c2Cl)cnc1OC1COC1,ZODOYOPPSXLIDX-UHFFFAOYSA-N
+rxn:4:192580:227690,COc1cc([N+](=O)[O-])ccc1-c1cnc(OC2CCSC2)c(F)c1,UIXLWTHBZHLIGW-UHFFFAOYSA-N
+rxn:4:192580:228709,Cc1cc(-c2cnc(OC3CCSC3)c(F)c2)cc(C#N)n1,MWGQSVVJEAOBOF-UHFFFAOYSA-N
+rxn:4:195065:223000,Fc1ccc(N=C=S)cc1-c1ccc(C2CCCNC2)c(F)c1,AHEVLZSFFKGSHK-UHFFFAOYSA-N
+rxn:4:195068:222987,Cc1nc(C2CCNCC2)ccc1-c1ccc(N=C=S)c(F)c1,QLJHBSMQBZSCPE-UHFFFAOYSA-N
+rxn:4:195125:223004,Fc1cc(-c2cc(C(F)F)cnc2F)ccc1C1CCNCC1,OFQDDWXDACOJDD-UHFFFAOYSA-N
+rxn:4:195146:222596,O=C(Nc1ccc(F)c(Cl)c1)c1cccc(-c2ccc(N=C=S)c(F)c2Cl)c1,KXBURYTYWDISIE-UHFFFAOYSA-N
+rxn:4:195161:226432,O=[N+]([O-])c1cc(Cl)c(F)c(-c2ccc(C3CCCC3)nc2F)c1,CXVRRDWMSPZBBW-UHFFFAOYSA-N
+rxn:4:195600:223128,Cc1cc(N=C=S)c(F)cc1-c1ccc(CNC2CC2)c(F)c1,OQFKWDBJFWGPSD-UHFFFAOYSA-N
+rxn:4:195604:222925,Cc1c(N=C=S)ccc(-c2ccc(C3CNC3)c(C(F)(F)F)c2)c1F,BGULJVFSXHDRPX-UHFFFAOYSA-N
+rxn:4:195643:225868,Cc1cc([N+](=O)[O-])cc(-c2ccc(N3CCOCC3)c(F)c2)c1F,LOCBKLUULNGEBQ-UHFFFAOYSA-N
+rxn:4:195704:226665,Cc1c(F)c(-c2cnc(C3CCCOC3)nc2)cc([N+](=O)[O-])c1F,BLTHZGASEKISHX-UHFFFAOYSA-N
+rxn:4:195735:223004,Fc1cc(-c2ccc(C3CC3)cn2)ccc1C1CCNCC1,PTMSQORQYYDNQO-UHFFFAOYSA-N
+rxn:4:195844:223312,FC1(F)CC(c2csc(-c3ccc(C4CNC4)cc3)n2)C1,JKXGVZPADKFIKT-UHFFFAOYSA-N
+rxn:4:195846:226587,Fc1cc(OC2CCC2)ncc1-c1ccnc(C2CC2(F)F)c1,IGNZNLZAMAWMGU-UHFFFAOYSA-N
+rxn:4:195859:223185,FC1(F)CC1c1ccnc(-c2cnc(C3CNCCO3)nc2)c1,ZZUWVHHXNQQGTD-UHFFFAOYSA-N
+rxn:4:196868:223274,CNC(=O)c1ccc(-c2ccc(C3CCCCO3)nc2F)c(Cl)c1,HZHQKENPTMTTHY-UHFFFAOYSA-N
+rxn:4:198289:225601,Cc1c(Cl)ncc(-c2ccc(C3(C#N)CCC3)cc2F)c1F,LQHNDSSJKMWXKP-UHFFFAOYSA-N
+rxn:4:201287:229094,Cc1ncc(-c2cnc(OCC(C)(F)F)c(C#N)c2)c(C)n1,SVBLDAFDJQGKDW-UHFFFAOYSA-N
+rxn:4:202921:226730,COc1ncc(-c2cnc(OC3CCC3)nc2Cl)cc1CC#N,GNVPOTYKEQOAAR-UHFFFAOYSA-N
+rxn:4:203900:224331,COc1ccc(C(=O)N2CCN(C)CC2)cc1-c1ccc(-c2ccc(C(F)(F)F)cc2)nc1,UZOCLGVJOQINEY-UHFFFAOYSA-N
+rxn:4:204979:222925,FC(F)Oc1cnc(-c2ccc(C3CNC3)c(C(F)(F)F)c2)cn1,TUDWXISCQJNWKR-UHFFFAOYSA-N
+rxn:4:205689:227779,O=[N+]([O-])c1cc(F)c(F)c(-c2cnc(OC3CCOC3)nc2Cl)c1,KMWONIFYBFQMNH-UHFFFAOYSA-N
+rxn:4:208339:222847,N#Cc1cc(-c2cnc(S(F)(F)(F)(F)F)nc2)cc(C2CCCNC2)c1,AJTGDGYDEWCGHF-UHFFFAOYSA-N
+rxn:4:208667:224764,O=C(c1ccc(-c2cnc(-c3ccoc3)nc2Cl)c(F)c1)N1CCOCC1,SJPPOKIMTBFCCU-UHFFFAOYSA-N
+rxn:4:209962:225320,O=[N+]([O-])c1cc(-c2ccc(N3CCOCC3)c(F)c2F)cc2cc[nH]c12,OBYMPLVDILYJHI-UHFFFAOYSA-N
+rxn:4:215320:225199,N#Cc1ncc([N+](=O)[O-])cc1-c1cc(F)c(OC2CCCC2)c(F)c1,QVAWVLXOYRKITQ-UHFFFAOYSA-N
+rxn:4:217335:225053,CC1CCCCN1c1ccc(-c2cc3[nH]ncc3cc2[N+](=O)[O-])c(F)c1,UABAFFXIPCSVQB-UHFFFAOYSA-N
+rxn:4:217338:225056,CC1CCCN(c2ccc(-c3cc([N+](=O)[O-])cc4[nH]ncc34)c(F)c2)C1,SDWIMDNPTHXJNU-UHFFFAOYSA-N
+rxn:4:217340:225633,O=[N+]([O-])c1cc(-c2ccc(N3CCCCCC3)nc2)c2[nH]cnc2c1,XOYNXSXJCLKQGG-UHFFFAOYSA-N