cosmic-amanita commited on
Commit
83d17a5
·
verified ·
1 Parent(s): 091035b

Added 43 molecules from epoch 23862 to P01584_molecules.csv

Browse files
Files changed (1) hide show
  1. P01584_molecules.csv +39 -0
P01584_molecules.csv CHANGED
@@ -5051,3 +5051,42 @@ rxn:4:195161:229130,O=[N+]([O-])c1cc(Cl)c(F)c(-c2ccc(Cl)c(F)c2)c1,KBLQWWSMBNAJLX
5051
  rxn:4:195166:226890,O=[N+]([O-])c1c(F)cc(Cl)cc1-c1cc(F)c(C(F)(F)F)cc1Cl,WYQRZMKNUWZJDW-UHFFFAOYSA-N
5052
  rxn:4:211355:225448,Cc1ccc(OC2CCCC2)c(-c2c(F)c(F)cc3nsnc23)c1,JCTMFOAEZBBXSZ-UHFFFAOYSA-N
5053
  rxn:4:184513:226158,CCCCOC(=O)c1ccnc(Cl)c1-c1ccccc1N1CCCCC1,FNMSJYDHEJJQNM-UHFFFAOYSA-N
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
5051
  rxn:4:195166:226890,O=[N+]([O-])c1c(F)cc(Cl)cc1-c1cc(F)c(C(F)(F)F)cc1Cl,WYQRZMKNUWZJDW-UHFFFAOYSA-N
5052
  rxn:4:211355:225448,Cc1ccc(OC2CCCC2)c(-c2c(F)c(F)cc3nsnc23)c1,JCTMFOAEZBBXSZ-UHFFFAOYSA-N
5053
  rxn:4:184513:226158,CCCCOC(=O)c1ccnc(Cl)c1-c1ccccc1N1CCCCC1,FNMSJYDHEJJQNM-UHFFFAOYSA-N
5054
+ rxn:4:184513:226422,CCCCOC(=O)c1ccnc(Cl)c1-c1cc(F)ccc1N1CCCC1,HJIHEDNSWWZWBF-UHFFFAOYSA-N
5055
+ rxn:4:210377:225592,COc1ccc2ncc(Cl)c(-c3cc(F)ccc3CN3CCCC3)c2n1,DMOIIGZIXNLTOF-UHFFFAOYSA-N
5056
+ rxn:4:218238:227886,CCCOc1ccccc1-c1cncc2ncn(C)c12,XSCRBWNQJXFBIZ-UHFFFAOYSA-N
5057
+ rxn:4:216446:228011,Cc1ncnc(C#N)c1-c1c(Cl)cccc1C1CC1,QIOSTWAFABURAV-UHFFFAOYSA-N
5058
+ rxn:4:208147:228116,CC(C)Oc1ncccc1-c1c(Cl)cncc1[N+](=O)[O-],BESYUCPHOWDUNL-UHFFFAOYSA-N
5059
+ rxn:4:210377:226158,COc1ccc2ncc(Cl)c(-c3ccccc3N3CCCCC3)c2n1,HBGRYDZEKHPBOP-UHFFFAOYSA-N
5060
+ rxn:4:195153:227571,CCOc1cc(F)c(-c2cc([N+](=O)[O-])c(Cl)cc2F)cc1Cl,ORGHESRAFLUODR-UHFFFAOYSA-N
5061
+ rxn:4:216226:228820,Cc1cc(-c2c(F)ccc(C)c2Cl)c(S(=O)(=O)n2nnc3ccccc32)cc1C,JHQAKHUXTMWSSX-UHFFFAOYSA-N
5062
+ rxn:4:191767:228448,COc1ccc(-c2ccc(C(F)F)cc2Cl)c(Cl)c1[N+](=O)[O-],IDFWMTOJEJEAMO-UHFFFAOYSA-N
5063
+ rxn:4:198794:226422,Fc1ccc(N2CCCC2)c(-c2c(Cl)cnc3ccc(F)cc23)c1,CWVLJIDXRXMTBQ-UHFFFAOYSA-N
5064
+ rxn:4:216013:226344,COC(=O)c1ncnc2[nH]cc(-c3cc(OC)c(Cl)cc3C3CC3)c12,SILGLPTZCZFSJH-UHFFFAOYSA-N
5065
+ rxn:4:197444:227379,COc1ccc2ncc(F)c(-c3cccnc3N3CCCC3)c2c1,NIJXFYIDSHSJLO-UHFFFAOYSA-N
5066
+ rxn:4:209116:227034,N#Cc1cccc(C2CC2)c1-c1c(-c2ccccn2)ccnc1Cl,ZKSKQCBMAXEISI-UHFFFAOYSA-N
5067
+ rxn:4:186402:229012,CC(C)c1ccsc1-c1c(C(=O)OCc2ccccc2)ccnc1Cl,RMRLRHFGHRJQIC-UHFFFAOYSA-N
5068
+ rxn:4:188529:228951,CCOc1c(-c2ccc(Cl)c(F)c2F)cccc1[N+](=O)[O-],GDXPUJHCAKPJGR-UHFFFAOYSA-N
5069
+ rxn:4:191621:226299,O=[N+]([O-])c1cc(C(F)(F)F)cc(-c2ccc(OCC3CC3)cc2Cl)c1Cl,AMVSABNOZUQOFQ-UHFFFAOYSA-N
5070
+ rxn:4:218221:225619,Clc1ccc(-c2cnc3ncnc(Cl)c3c2)c(OC2CCCC2)c1,FGDOHSCMUANCBO-UHFFFAOYSA-N
5071
+ rxn:4:178697:227793,O=[N+]([O-])c1cc(-c2cc(F)c(F)cc2OC(F)(F)F)c(F)cc1Cl,VPNVKLQYWXLINY-UHFFFAOYSA-N
5072
+ rxn:4:218238:227548,CCOc1ccc(F)c(F)c1-c1cncc2ncn(C)c12,MKYGFZQJGJRNFK-UHFFFAOYSA-N
5073
+ rxn:4:209155:227332,CC(C)Oc1ccc(Cl)cc1-c1c(Cl)ncnc1-c1ccccc1,DZCYYOCMCFDIJX-UHFFFAOYSA-N
5074
+ rxn:4:208150:227331,CC(C)Oc1cccc(F)c1-c1ccnc(Cl)c1[N+](=O)[O-],BKCJECYYGZSXEU-UHFFFAOYSA-N
5075
+ rxn:4:211351:225820,FC(F)(F)c1cccc(C2CC2)c1-c1csc2ncnc(Cl)c12,COYUHOPRLDOCJM-UHFFFAOYSA-N
5076
+ rxn:4:188598:228942,CCOc1c(-c2c(F)cc(Cl)cc2F)cc(F)cc1[N+](=O)[O-],ONHLXZHTMUTOPK-UHFFFAOYSA-N
5077
+ rxn:4:209116:223112,CC(C)c1ccc2[nH]ncc2c1-c1c(-c2ccccn2)ccnc1Cl,AVGDXIZINREPEF-UHFFFAOYSA-N
5078
+ rxn:4:221890:228010,[N-]=[N+]=Nc1ccnc2[nH]cc(-c3cc(Cl)ccc3C3CC3)c12,AAZMKATXFWOGSM-UHFFFAOYSA-N
5079
+ rxn:4:188598:229138,CCOc1c(-c2ccc(Cl)cc2F)cc(F)cc1[N+](=O)[O-],PZFPJACXGBNNKQ-UHFFFAOYSA-N
5080
+ rxn:4:188393:227407,CCOC(=O)c1ccnc(Cl)c1-c1cc(Cl)cnc1C(C)(C)C,CQVONOVFAMUDSD-UHFFFAOYSA-N
5081
+ rxn:4:211355:226119,Cc1ccc(OCC2CC2)c(-c2c(F)c(F)cc3nsnc23)c1,SXOIUXYKEVYLOP-UHFFFAOYSA-N
5082
+ rxn:4:207161:228022,COC(=O)c1ccnc2[nH]cc(-c3cc(Cl)ccc3C(C)C)c12,VKEQGKPDKXGINS-UHFFFAOYSA-N
5083
+ rxn:4:220837:227034,N#Cc1cccc(C2CC2)c1-c1c[nH]c2ncnc(C#N)c12,FAQNXISKPTXARF-UHFFFAOYSA-N
5084
+ rxn:4:195166:225920,Cc1ccc(OCC(F)(F)F)c(-c2cc(Cl)cc(F)c2[N+](=O)[O-])c1,ZDXWHAQNYZUZDZ-UHFFFAOYSA-N
5085
+ rxn:4:218221:226119,Cc1ccc(OCC2CC2)c(-c2cnc3ncnc(Cl)c3c2)c1,ZPCKMQOUFJQPDA-UHFFFAOYSA-N
5086
+ rxn:4:211490:226422,Fc1ccc(N2CCCC2)c(-c2cncc3[nH]cc(Cl)c23)c1,LLSDWNXTCUVUGQ-UHFFFAOYSA-N
5087
+ rxn:4:202947:227323,CCOC(=O)c1ncnc(Cl)c1-c1cnc(Cl)c(C(C)CC)c1,RLKVZVACPYASPI-UHFFFAOYSA-N
5088
+ rxn:4:218397:226287,CC(C)COc1cc(Cl)ccc1-c1cnc(Cl)c2ncn(C)c12,FQDXHBYAUIRDAH-UHFFFAOYSA-N
5089
+ rxn:4:220837:226298,N#Cc1ncnc2[nH]cc(-c3ccc(F)cc3OCC3CC3)c12,BMSNLJJOMBQEOY-UHFFFAOYSA-N
5090
+ rxn:4:195161:226050,O=[N+]([O-])c1cc(Cl)c(F)c(-c2c(F)cc(OC(F)(F)F)cc2F)c1,IYFQAUKPUQROTL-UHFFFAOYSA-N
5091
+ rxn:4:208157:226500,CC(C)COc1ncc(Cl)cc1-c1c([N+](=O)[O-])ccnc1Cl,QDBHPUVNUQRHPE-UHFFFAOYSA-N
5092
+ rxn:4:218265:226422,Cc1cc2ncnn2cc1-c1cc(F)ccc1N1CCCC1,ZHWCCFNFQSWNJE-UHFFFAOYSA-N