urdof7 commited on
Commit
ec9c47b
·
verified ·
1 Parent(s): 81686a3

Added 30 molecules from epoch 19398 for Q01959

Browse files
Files changed (1) hide show
  1. Q01959_molecules.csv +30 -0
Q01959_molecules.csv CHANGED
@@ -12559,3 +12559,33 @@ rxn:4:209948:225129,CC(C)(C)OC(=O)c1ccc(-c2cc(C#N)cc3cc[nH]c23)c(F)c1,ZTVONDFPGF
12559
  rxn:4:217545:225043,Cc1c([N+](=O)[O-])cc(-c2ccc(OC3CCCCC3)c(F)c2)c2[nH]ncc12,NQYFHFXEHKGSRU-UHFFFAOYSA-N
12560
  rxn:4:217545:226364,Cc1c([N+](=O)[O-])cc(-c2ccc(N3CCCCC3)nc2)c2[nH]ncc12,PVEMHXZTGJJTSI-UHFFFAOYSA-N
12561
  rxn:5:196798:226382:227777,Cc1cncc(-c2cc(-c3cnc(C4CCCCC4)nc3)cc(-c3cc(F)c(F)cc3[N+](=O)[O-])c2)c1,VYMOBIPFQXIJMQ-UHFFFAOYSA-N
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
12559
  rxn:4:217545:225043,Cc1c([N+](=O)[O-])cc(-c2ccc(OC3CCCCC3)c(F)c2)c2[nH]ncc12,NQYFHFXEHKGSRU-UHFFFAOYSA-N
12560
  rxn:4:217545:226364,Cc1c([N+](=O)[O-])cc(-c2ccc(N3CCCCC3)nc2)c2[nH]ncc12,PVEMHXZTGJJTSI-UHFFFAOYSA-N
12561
  rxn:5:196798:226382:227777,Cc1cncc(-c2cc(-c3cnc(C4CCCCC4)nc3)cc(-c3cc(F)c(F)cc3[N+](=O)[O-])c2)c1,VYMOBIPFQXIJMQ-UHFFFAOYSA-N
12562
+ rxn:4:191387:222925,N#Cc1cc(C(F)F)ccc1-c1ccc(C2CNC2)c(C(F)(F)F)c1,VDSKZKQIFPLZFS-UHFFFAOYSA-N
12563
+ rxn:4:191828:223241,COc1nc(C(F)(F)F)ccc1-c1cncc(C2CCNC2)c1,HMQXTYZBIAEHPE-UHFFFAOYSA-N
12564
+ rxn:4:195150:225300,Fc1cc(N=C=S)cc(F)c1-c1ccc(OC2CCOCC2)nc1F,YWXOPHLMLASQML-UHFFFAOYSA-N
12565
+ rxn:4:195161:226174,O=[N+]([O-])c1cc(Cl)c(F)c(-c2ccc(C3CCCCC3)nc2)c1,FBJLRGXEHSAXHK-UHFFFAOYSA-N
12566
+ rxn:4:195420:225300,Cc1ccc(C#N)cc1-c1ccc(OC2CCOCC2)nc1F,LVQPODSNEVTKLD-UHFFFAOYSA-N
12567
+ rxn:4:195547:225677,Cc1cc(-c2ccc(C3CCCCC3)nc2F)cc([N+](=O)[O-])c1,PBLSATCVHAXCJH-UHFFFAOYSA-N
12568
+ rxn:4:195613:227381,Cc1c(Cl)cc([N+](=O)[O-])cc1-c1cnc(C2CCCC2)nc1,TUBFQJPLYYIABU-UHFFFAOYSA-N
12569
+ rxn:4:195624:225300,Cc1cc(-c2ccc(OC3CCOCC3)nc2F)cc([N+](=O)[O-])c1F,QGPUTLVBBMXWPJ-UHFFFAOYSA-N
12570
+ rxn:4:195632:226572,Cc1cc([N+](=O)[O-])cc(-c2cnc(OC3CCCC3)nc2)c1Cl,ZPDVDJUWFSTYSY-UHFFFAOYSA-N
12571
+ rxn:4:195632:227628,Cc1cc([N+](=O)[O-])cc(-c2cnc(C3CCC3)nc2Cl)c1Cl,XHCSHIQPYOPXCG-UHFFFAOYSA-N
12572
+ rxn:4:195633:225677,Cc1cc(Cl)c(-c2ccc(C3CCCCC3)nc2F)cc1[N+](=O)[O-],BDAGXAGGVRQZNL-UHFFFAOYSA-N
12573
+ rxn:4:195643:227491,Cc1cc([N+](=O)[O-])cc(-c2cnc(OC3CCC3)nc2)c1F,OWSWZOMFXSWEDL-UHFFFAOYSA-N
12574
+ rxn:4:195704:226325,Cc1c(F)c(-c2ccc(C(C)(C)C#N)cc2F)cc([N+](=O)[O-])c1F,KPKHBLOBGATOQQ-UHFFFAOYSA-N
12575
+ rxn:4:196226:225677,Cc1cc(C2CC2)ncc1-c1ccc(C2CCCCC2)nc1F,PHGDDMABCDBYMO-UHFFFAOYSA-N
12576
+ rxn:4:196241:227779,O=[N+]([O-])c1cc(F)c(F)c(-c2cnc(C3CCC3)cc2Cl)c1,KPAVJSLOSKRTMB-UHFFFAOYSA-N
12577
+ rxn:4:196868:228572,Cc1ccc(-c2ccc(C3CCCCO3)nc2F)cc1C#N,JVOUSAPZVLJVRG-UHFFFAOYSA-N
12578
+ rxn:4:197701:227779,CC12CC(c3cc(-c4cc([N+](=O)[O-])cc(F)c4F)ccn3)(C1)C2,VMGJTKUEUDKZFS-UHFFFAOYSA-N
12579
+ rxn:4:205024:226190,N#Cc1ccc([N+](=O)[O-])cc1-c1ccc(C2CCCC2)cc1F,RUQDCWPRKKMLJR-UHFFFAOYSA-N
12580
+ rxn:4:205040:225881,N#Cc1cc([N+](=O)[O-])cc(Cl)c1-c1ccc(C2CCOCC2)nc1F,LKISTFRMOISJCC-UHFFFAOYSA-N
12581
+ rxn:4:205045:227092,Cc1nc(C2CCC2)ccc1-c1cc([N+](=O)[O-])cc(C#N)c1F,CBXSODXGCLNERL-UHFFFAOYSA-N
12582
+ rxn:4:205045:227381,N#Cc1cc([N+](=O)[O-])cc(-c2cnc(C3CCCC3)nc2)c1F,DZPJDZTXJWKRRL-UHFFFAOYSA-N
12583
+ rxn:4:205045:227470,CCCOc1ncc(-c2cc([N+](=O)[O-])cc(C#N)c2F)c(C)n1,UCBJXNFAVGADFG-UHFFFAOYSA-N
12584
+ rxn:4:205264:224476,Cc1cc([N+](=O)[O-])cc(-c2ccc3c(c2)ncn3C2CCCCC2)c1C#N,IHRDKKMVRPNOIC-UHFFFAOYSA-N
12585
+ rxn:4:205264:225679,Cc1cc([N+](=O)[O-])cc(-c2ccc(N3CCCCC3)cc2F)c1C#N,IZSGQJVXLKRDAC-UHFFFAOYSA-N
12586
+ rxn:4:205264:227325,Cc1cc([N+](=O)[O-])cc(-c2ccc(OC(C)(C)C)nc2)c1C#N,QIQURDRHOZQJIG-UHFFFAOYSA-N
12587
+ rxn:4:205264:227834,Cc1cc(-c2cc([N+](=O)[O-])cc(C)c2C#N)ccc1C1CC1,GDYTYKAYGKWRIB-UHFFFAOYSA-N
12588
+ rxn:4:209675:226155,CC(=O)c1cc(-c2ccc(N3CCCCC3=O)cn2)cc(C2CC2)c1,VFSRUUGNTDFKRR-UHFFFAOYSA-N
12589
+ rxn:4:210434:225677,Cc1c[nH]c2cc(-c3ccc(C4CCCCC4)nc3F)cc([N+](=O)[O-])c12,SYVWAPLUZWYRCY-UHFFFAOYSA-N
12590
+ rxn:4:217545:222877,Cc1c([N+](=O)[O-])cc(-c2ccc(C(=O)NC(C)(C)C)c(Cl)c2)c2[nH]ncc12,QRFKQMUSEBSGNA-UHFFFAOYSA-N
12591
+ rxn:5:196198:226399:229014,CC(C)c1ccc(-c2cc(N3C(=O)C=CC3=O)ccc2-c2ccc(-c3ncccn3)cc2)s1,GNBISNVEIOWBBY-UHFFFAOYSA-N