urdof7 commited on
Commit
3758ffc
·
verified ·
1 Parent(s): 0c7854d

Added 37 molecules from epoch 19524 for P23977

Browse files
Files changed (1) hide show
  1. P23977_molecules.csv +37 -0
P23977_molecules.csv CHANGED
@@ -36162,3 +36162,40 @@ rxn:4:208240:225320,O=[N+]([O-])c1cc[n+]([O-])c(-c2ccc(N3CCOCC3)c(F)c2F)c1,OZUVP
36162
  rxn:4:214082:223879,CCCc1ccc(-c2ccc(-c3ccc(CN4CCN(C(C)C)CC4)c(N4CCOCC4)c3)c(F)c2F)cc1,FYGADPPZIRFENE-UHFFFAOYSA-N
36163
  rxn:4:215320:225191,N#Cc1ncc([N+](=O)[O-])cc1-c1cnc(OC2CCCCC2)cc1F,GXKICSVUNDLSNK-UHFFFAOYSA-N
36164
  rxn:4:217545:226600,CCOc1c(F)c(C)cc(-c2cc([N+](=O)[O-])c(C)c3cn[nH]c23)c1F,DTNIXZPMPXVASX-UHFFFAOYSA-N
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
36162
  rxn:4:214082:223879,CCCc1ccc(-c2ccc(-c3ccc(CN4CCN(C(C)C)CC4)c(N4CCOCC4)c3)c(F)c2F)cc1,FYGADPPZIRFENE-UHFFFAOYSA-N
36163
  rxn:4:215320:225191,N#Cc1ncc([N+](=O)[O-])cc1-c1cnc(OC2CCCCC2)cc1F,GXKICSVUNDLSNK-UHFFFAOYSA-N
36164
  rxn:4:217545:226600,CCOc1c(F)c(C)cc(-c2cc([N+](=O)[O-])c(C)c3cn[nH]c23)c1F,DTNIXZPMPXVASX-UHFFFAOYSA-N
36165
+ rxn:4:176473:223312,CSc1cc(OC(F)F)ccc1-c1ccc(C2CNC2)cc1,CYXDTBFLFVDXKE-UHFFFAOYSA-N
36166
+ rxn:4:176488:223312,O=C(CC(F)(F)F)c1ccc(-c2ccc(C3CNC3)cc2)cc1,KNSJWVNIYTXLLS-UHFFFAOYSA-N
36167
+ rxn:4:178748:223306,FC(F)(F)C#Cc1ccc(-c2ccc3c(c2)CNCC3)cc1,OYJXTQVGTOBGFG-UHFFFAOYSA-N
36168
+ rxn:4:179401:225881,COc1cc(C(C)=O)cc(-c2ccc(C3CCOCC3)nc2F)c1Cl,WHTYJBJXFIPFRD-UHFFFAOYSA-N
36169
+ rxn:4:180080:223312,c1cc(-c2ccc(C3CNC3)cc2)ccc1OC1CCCC1,KSSJWWWJJKUYCT-UHFFFAOYSA-N
36170
+ rxn:4:181734:222589,CC1(c2cc(F)cc(-c3ccc(OCCN4CCC(O)CC4)c(Cl)c3)c2)CC1(F)F,JHQWEZDKJBFWRN-UHFFFAOYSA-N
36171
+ rxn:4:181800:223097,CNC(=O)c1cc(-c2ccc(-c3cc(F)c(F)c(F)c3)c(F)c2)cc([N+](=O)[O-])c1,HLVAUKSUDZWBDI-UHFFFAOYSA-N
36172
+ rxn:4:188170:226679,O=[N+]([O-])c1cc(OC(F)F)c(F)c(-c2cnc(N3CCCC3)cc2F)c1,KUYDZTPRPHEFPW-UHFFFAOYSA-N
36173
+ rxn:4:188178:225683,Cc1nc(C2CCCOC2)ccc1-c1cc(OC(F)F)cc([N+](=O)[O-])c1F,DKISMGLPEYECJB-UHFFFAOYSA-N
36174
+ rxn:4:188744:226884,COc1cc(-c2c(F)cc(C(F)(F)F)cc2F)ccc1C=C[N+](=O)[O-],WDAAASFPZVCUQA-UHFFFAOYSA-N
36175
+ rxn:4:188746:223142,FC1(F)CC1COc1ccc(-c2ccc(C3CCCNC3)nc2)nc1,PZWLCSHXWMOPJK-UHFFFAOYSA-N
36176
+ rxn:4:191599:226508,COc1c(C#N)cc(F)c(F)c1-c1ccc(OCC2CC2)nc1F,VMRIKWBROKJZBM-UHFFFAOYSA-N
36177
+ rxn:4:191773:228216,COc1c(F)cc(-c2cncc(C3CC3)c2Cl)cc1[N+](=O)[O-],LALOAJLFZOHEEZ-UHFFFAOYSA-N
36178
+ rxn:4:191834:226509,COc1c(-c2ccc(OCC(C)C)nc2F)cc([N+](=O)[O-])c(F)c1F,RMIZSWNJSRNNNR-UHFFFAOYSA-N
36179
+ rxn:4:191834:227026,COc1c(-c2ccc(C#N)c(C3CC3)c2)cc([N+](=O)[O-])c(F)c1F,MLLOAUANWYPNNL-UHFFFAOYSA-N
36180
+ rxn:4:192580:228326,COc1cc(-c2cnc(OC3CCSC3)c(F)c2)cc(OC)n1,SXYFEHYTKLYDNF-UHFFFAOYSA-N
36181
+ rxn:4:192580:228327,COc1cc(-c2cnc(OC3CCSC3)c(F)c2)cnc1OC,NZIYMWFAEPFQKX-UHFFFAOYSA-N
36182
+ rxn:4:192876:228216,COc1cc(-c2cncc(C3CC3)c2Cl)cnc1C1CCC1,DOIQMYSGAQAWII-UHFFFAOYSA-N
36183
+ rxn:4:193103:225336,CC(=O)c1cccc(-c2ccc(-c3ccc(COCC(F)(F)F)cc3F)nc2)c1,LTCVEFJKNLNHEU-UHFFFAOYSA-N
36184
+ rxn:4:193271:224390,O=C(c1cc(F)c(-c2cnc(-c3ccc(C(F)(F)F)cc3)nc2)cc1F)N1CCOCC1,SSHCBFCHELUUHU-UHFFFAOYSA-N
36185
+ rxn:4:195252:223200,Fc1cc(C(F)(F)F)nc(F)c1-c1ccc(C2CCNC2)cc1,KMVPJUWZZUIXCS-UHFFFAOYSA-N
36186
+ rxn:4:195443:226572,CC(=O)c1cc(-c2cnc(OC3CCCC3)nc2)cc(F)n1,CXSVXOKEYJXPKR-UHFFFAOYSA-N
36187
+ rxn:4:195820:227426,Fc1c(-c2ccc(C3CCCO3)nc2)cnc(Cl)c1C1CC1,IQEIATYGTMPMOD-UHFFFAOYSA-N
36188
+ rxn:4:196245:226587,Fc1cc(OC2CCC2)ncc1-c1nccc(C2CCC2)c1F,SWEWSLNPYLFRFW-UHFFFAOYSA-N
36189
+ rxn:4:196285:227596,CC1(c2cncc(-c3cnc(N4CCCC4)nc3)c2)CC1(F)F,QABUXLAWNKNBIB-UHFFFAOYSA-N
36190
+ rxn:4:196285:228308,CCOc1ncc(-c2cncc(C3(C)CC3(F)F)c2)c(C)n1,RXCIONKBHPWERP-UHFFFAOYSA-N
36191
+ rxn:4:196285:228323,CCOc1nccc(-c2cncc(C3(C)CC3(F)F)c2)c1F,QRLSEYBMAKJFMS-UHFFFAOYSA-N
36192
+ rxn:4:196285:228326,COc1cc(-c2cncc(C3(C)CC3(F)F)c2)cc(OC)n1,CYNAGLUAESHSET-UHFFFAOYSA-N
36193
+ rxn:4:196290:226572,CC1(c2ccnc(-c3cnc(OC4CCCC4)nc3)c2)CC1(F)F,OWTDEHOWIGKJKF-UHFFFAOYSA-N
36194
+ rxn:4:198645:222803,FC(F)(F)c1cc(-c2cnc3cc(Cl)ccc3c2)ccc1C1CCNC1,WWDIHHMNJRKGEF-UHFFFAOYSA-N
36195
+ rxn:4:202965:226336,CCCOc1ccc(-c2cc(C#N)c(C3CC3)cc2Cl)nn1,LWONQDAQAMBVQY-UHFFFAOYSA-N
36196
+ rxn:4:205264:224001,Cc1cc([N+](=O)[O-])cc(-c2cnc(-c3ccc(C(F)(F)F)cc3)c(Cl)c2)c1C#N,VJOWYFYPHPNCLW-UHFFFAOYSA-N
36197
+ rxn:4:205264:225982,Cc1cc([N+](=O)[O-])cc(-c2cnc(N3CCOCC3)cc2F)c1C#N,GKTNLDMBHFIFPL-UHFFFAOYSA-N
36198
+ rxn:4:208261:225601,C#Cc1ncc(-c2ccc(C3(C#N)CCC3)cc2F)c(C)n1,VIUUPIQKEUAMSM-UHFFFAOYSA-N
36199
+ rxn:4:211469:222803,FC(F)(F)c1cc(-c2ccc3nc(Cl)cn3c2)ccc1C1CCNC1,ZAGUXGZNKCPDKL-UHFFFAOYSA-N
36200
+ rxn:4:222389:174271,CCOc1c(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)ccc(OCc2ccccc2)c1F,MYQSOFHGHYHBMD-UHFFFAOYSA-N
36201
+ rxn:4:224331:196637,Cc1cc(N2C(=O)C=CC2=O)ccc1-c1ccc(-c2ccc(C(F)(F)F)cc2)nc1,IQFAKRDNTACQAL-UHFFFAOYSA-N