structure name cas # smiles · structure name cas # smiles...

Structure Name CAS # SMILES

4‐(4‐Acetyl‐1‐piperazinyl)aniline 92394‐00‐8 NC1=CC=C(N2CCN(CC2)C(C)=O)C=C1

2‐Aminobiphenyl 90‐41‐5 NC1=CC=CC=C1C2=CC=CC=C2

2‐Amino‐5‐bromobenzonitrile 39263‐32‐6 NC1=CC=C(Br)C=C1C#N

2‐Amino‐3‐bromopyridine 13534‐99‐1 BrC1=CC=CN=C1N

4‐Amino‐3‐t‐butylphenol 24197‐41‐9 CC(C)(C)C1=C(N)C=CC(O)=C1

4‐Amino‐3‐chlorobenzoic acid 2486‐71‐7 NC1=C(Cl)C=C(C(O)=O)C=C1

2‐Amino‐6‐chlorobenzonitrile 147249‐41‐0 NC1=CC=CC(Cl)=C1C#N

5‐Amino‐2‐chlorobenzotrifluoride 320‐51‐4 NC1=CC=C(Cl)C(C(F)(F)F)=C1

5‐Amino‐2‐chloro‐3‐ethylbenzoic acid NA NC1=CC(C(O)=O)=C(Cl)C(CC)=C1

4‐Amino‐2‐chloro‐3‐ethylbenzonitrile NA NC1=C(CC)C(Cl)=C(C#N)C=C1

2‐Amino‐5‐chloro‐3‐fluoro‐4‐

ethylpyridineNA NC1=NC=C(Cl)C(CC)=C1F

2‐Amino‐5‐chloro‐3‐fluoro‐4‐

methylpyridineNA NC1=NC=C(Cl)C(C)=C1F

2‐Amino‐5‐chloro‐3‐fluoropyridine 246847‐98‐3 ClC1=CN=C(N)C(C)=C1

2‐Amino‐5‐chloro‐4‐fluoropyridine NA ClC1=CN=C(N)C=C1F

2‐Amino‐5‐chloro‐6‐fluoropyridine 1214330‐79‐6 ClC1=C(F)N=C(N)C=C1

2‐Amino‐4‐chloro‐6‐

isopropylpyrimidine73576‐33‐7 CC(C)C1=NC(N)=NC(Cl)=C1

2‐Amino‐3‐chloro‐6‐methoxypyridine 742070‐73‐1 NC1=NC(OC)=CC=C1Cl

2‐Amino‐5‐chloro‐3‐methoxypyridine 1242336‐53‐3 ClC1=CN=C(C(C)=C1)N

2‐Amino‐5‐chloro‐4‐methoxypyridine 662117‐63‐7 NC1=NC=C(Cl)C(OC)=C1

2‐Amino‐5‐chloro‐6‐methoxypyridine 742070‐74‐2 NC1=NC(OC)=C(Cl)C=C1

2‐Amino‐5‐chloro‐3‐methylpyridine 20712‐16‐7 ClC1=CN=C(C(C)=C1)N

2‐Amino‐5‐chloro‐4‐methylpyridine 36936‐27‐3 NC1=NC=C(Cl)C(C)=C1

2‐Amino‐5‐chloropyridine 1072‐98‐6 NC1=CC=C(Cl)C=N1

2‐Amino‐3,5‐dichloro‐4‐(2,2,2‐

trifluoroethoxy)pyridineNA NC1=NC=C(Cl)C(OCC(F)(F)F)=C1Cl

2‐Amino‐3,5‐dichloro‐4‐

(difluoromethoxy)pyridineNA NC1=NC=C(Cl)C(OC(F)F)=C1Cl

2‐Amino‐3,5‐dichloro‐4‐fluoropyridine NA NC1=NC=C(Cl)C(F)=C1Cl

2‐Amino‐3,5‐dichloro‐4‐

methoxypyridine1261269‐31‐1 NC1=NC=C(Cl)C(OC)=C1Cl

2‐Amino‐3,5‐dichloro‐4‐methylpyridine 31430‐47‐4 NC1=NC=C(Cl)C(C)=C1Cl

2‐Amino‐3,5‐dichloro‐6‐methylpyridine 22137‐52‐6 ClC1=C(C)N=C(N)C(Cl)=C1

2‐Amino‐3,5‐dichloropyridine 4214‐74‐8 ClC1=CN=C(N)C(Cl)=C1

2‐Amino‐4,5‐dichloropyridine 188577‐68‐6 NC1=NC=C(Cl)C(Cl)=C1

2‐Amino‐5,6‐dichloropyridine 1192814‐45‐1 ClC1=C(Cl)N=C(N)C=C1

5‐Amino‐2‐cyanobenzotrifluoride 654‐70‐6 NC1=CC=C(C#N)C(C(F)(F)F)=C1

4‐Amino‐2,6‐diethylbenzoic acid 16752‐17‐3 NC1=CC(CC)=C(C(O)=O)C([CH3]=C)=C1

2‐Amino‐4,5‐difluorobenzoic acid 83506‐93‐8 NC1=CC(F)=C(F)C=C1C(O)=O

4‐Amino‐2,3‐difluorobenzoic acid 194804‐85‐8 NC1=C(F)C(F)=C(C(O)=O)C=C1

6‐Amino‐2,2‐difluoro‐2H‐

benzo[b][1,4]oxazin‐3(4H)‐oneNA NC1=CC2=C(OC(F)(F)C(N2)=O)C=C1

4‐Amino‐2,6‐diethylbenzonitrile 1003708‐27‐7 NC1=CC(CC)=C(C#N)C(CC)=C1

2‐Amino‐3,4‐dimethylbenzoic acid 50419‐58‐4 NC1=C(C)C(C)=CC=C1C(O)=O

2‐Amino‐4,5‐dimethylbenzoic acid 83506‐93‐8 NC1=CC(C)=C(C)C=C1C(O)=O

5‐Amino‐3‐ethyl‐2‐

methoxybenzonitrileNA NC1=CC(C#N)=C(OC)C(CC)=C1

4‐Amino‐2‐fluorobenzoic acid 446‐31‐1 NC1=CC(F)=C(C(O)=O)C=C1

4‐Amino‐2‐fluorobenzonitrile 53312‐80‐4 NC1=CC(F)=C(C#N)C=C1

5‐Amino‐2‐fluorobenzonitrile 53312‐81‐5 FC1=CC=C(N)C=C1C#N

4‐Amino‐2‐fluorophenol 399‐96‐2 NC1=CC=C(O)C(F)=C1

2‐Amino‐3,5‐fluoro‐4‐ethylpyridine NA NC1=NC=C(F)C(CC)=C1F

2‐Amino‐3,5‐fluoro‐4‐methylpyridine NA NC1=NC=C(F)C(C)=C1F

4‐Amino‐3‐fluorobenzoic acid 455‐87‐8 NC1=C(F)C=C(C(O)=O)C=C1

2‐Amino‐3‐fluorobenzonitrile 115661‐37‐5 NC1=C(F)C=CC=C1C#N

4‐Amino‐3‐fluorobenzonitrile 63009‐50‐1 NC1=C(F)C=C(C#N)C=C1

5‐Amino‐3‐fluorobenzonitrile 210992‐28‐2 NC1=CC(F)=CC(C#N)=C1

4‐Amino‐3‐fluorophenol 399‐95‐1 NC1=CC=C(O)C=C1F

2‐Amino‐4‐fluorobenzoic acid 446‐32‐2 NC1=CC(F)=CC=C1C(O)=O

2‐Amino‐5‐fluorobenzonitrile 61272‐77‐3 NC1=CC=C(F)C=C1C#N

2‐Amino‐5‐fluorophenol 53981‐24‐1 NC1=CC=C(F)C=C1O

2‐Amino‐5‐fluoro‐benzoic acid 446‐08‐2 NC1=CC=C(F)C=C1C(O)=O

2‐Amino‐6‐fluorobenzoic acid 434‐76‐4 NC1=CC=CC(F)=C1C(O)=O

3‐Amino‐6‐fluorobenzoic acid 56741‐33‐4 NC1=CC=C(F)C(C(O)=O)=C1

2‐Amino‐6‐fluorobenzonitrile 77326‐36‐4 NC1=CC=CC(F)=C1C#N

2‐Amino‐4‐hydroxypyridine 33631‐05‐9 OC1=CC(N)=NC=C1

2‐Amino‐6‐isopropylpyrimidin‐4‐ol NA CC(C)C1=NC(N)=NC(O)=C1

2‐Amino‐5‐methoxybenzotrifluoride 53903‐49‐4 NC1=C(C(F)(F)F)C=C(OC)C=C1

3‐Amino‐4‐methoxybenzotrifluoride 349‐65‐5FC(C1=CC([N+]([O‐

])=O)=C(OC)C=C1)(F)F

2‐Amino‐4‐methylbenzonitrile 69797‐49‐5 NC1=CC(C)=CC=C1C#N

3‐Amino‐4‐methylbenzonitrile 60710‐80‐7 NC1=C(C)C=CC(C#N)=C1

3‐(Aminomethyl)‐1‐(1,1‐

diphenylmethyl)azetidine36467‐88‐7

NCC1CN(C(C3=CC=CC=C3)C2=CC=CC=C2

)C1

2‐(3‐(Aminomethyl)azetidin‐1‐yl)‐1‐(2,2‐

dimethylpyrrolidin‐1‐yl)ethanoneNA O=C(N2C(C)(C)CCC2)CN1CC(CN)C1

2‐Amino‐4‐methyl‐5‐fluoropyridine 301222‐66‐2 NC1=NC=C(F)C(C)=C1

2‐Amino‐4‐nitrophenol 99‐57‐0 NC1=C(O)C=CC([N+]([O‐])=O)=C1

2‐(3‐Aminophenyl)ethanol 52273‐77‐5 NC1=CC(CCO)=CC=C1

5‐Amino‐1H‐pyrazole 1225387‐53‐0 NC1=CC=NN1

4‐Amino‐3‐pyridinesulfonamide 75903‐62‐7 NC1=CC=NC=C1S(=O)(N)=O

2‐Aminopyridinium chloride 32654‐45‐8 NC1=NC=CC=C1.Cl

3‐Aminopyridinium chloride 7356‐60‐7 NC1=CC=CN=C1.Cl

4‐Aminopyridinium chloride 1003‐40‐3 NC1=CC=NC=C1.Cl

3‐Aminosalicylic acid 570‐23‐0 NC1=CC=CC(C(O)=O)=C1O

6‐Amino‐2,3,4,5‐tetrafluorbenzoic acid 1765‐42‐0 NC1=C(C(O)=O)C(F)=C(F)C(F)=C1F

2‐Amino‐3,4,5‐trichloropyridine 55933‐91‐0 ClC1=CN=C(N)C(Cl)=C1Cl

2‐Amino‐3‐

(trifluoromethyl)benzonitrile58458‐14‐3 NC1=C(C(F)(F)F)C=CC=C1C#N

3‐Amino‐5‐(trifluoromethyl)benzoic

acid328‐68‐7 NC1=CC(C(F)(F)F)=CC(C(O)=O)=C1

4‐Amino‐2‐(trifluoromethyl)benzoic

acid393‐06‐6 NC1=CC(C(F)(F)F)=C(C(O)=O)C=C1

2‐Amino‐4‐(trifluoromethyl)benzotrile 1483‐54‐1 NC1=CC(C(F)(F)F)=CC=C1C#N

4‐Amino‐3‐(trifluoromethyl)phenol 445‐04‐5 NC1=CC=C(O)C=C1C(F)(F)F

(1S,3R,4R)‐2‐Aza‐bicyclo‐[2.2.1]‐

heptane‐3‐carboxylic acid171754‐03‐3 O=C([C@@H]1NC2CCC1C2)O

(1S,3S,4R)‐2‐Aza‐bicyclo[2.2.1]heptane‐

3‐carboxylic acidNA O=C([C@H]1NC2CCC1C2)O

5‐Azaindole 271‐34‐1 C12=C(NC=C2)C=CN=C1

2‐(Benzo[b]thiophen‐3‐yl)acetic acid 1131‐09‐5 O=C(CC2=CSC1=CC=CC=C12)O

4‐Benzoylbenzoic acid 611‐95‐0O=C(C2=CC=CC=C2)C1=CC=C(C(O)=O)C=

C1

4‐(Benzylamino)cyclohexanone HCl 142009‐99‐2 O=C1CCC(NCC2=CC=CC=C2)CC1.Cl

(R)‐3‐Benzyloxypyrrolidine

Hydrochloride927819‐90‐7 C1(CO[C@@H]2CCNC2)=CC=CC=C1.Cl

1,1‐Bis(hydroxymethyl) cyclopropane 39590‐81‐3 OCC1(CO)CC1

2,6‐Bis(hydroxymethyl) pyridine 1195‐59‐1 OCC1=NC(CO)=CC=C1

2,5‐Bis(trifluoroethoxy)benzoic acid 35480‐52‐5O=C(C1=CC(OCC(F)(F)F)=CC=C1OCC(F)(F

)F)O

2,6‐Bis(trifluoroethoxy)benzoic acid 35480‐53‐6FC(COC1=CC=CC(OCC(F)(F)F)=C1C(O)=O)

(F)F

3',5'‐Bis(trifluoromethyl)acetophenone 30071‐93‐3 CC(C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)=O

3,5‐Bis(trifluoromethyl)benzoic acid 725‐89‐3 FC(C1=CC(C(O)=O)=CC(C(F)(F)F)=C1)(F)F

3,5‐Bis(trifluoromethyl)benzonitrile 27126‐93‐8 FC(C1=CC(C#N)=CC(C(F)(F)F)=C1)(F)F

3,5‐Bis(trifluoromethyl)‐nitrobenzene 328‐75‐6O=[N+](C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C

1)[O‐]

3,5‐Bis(trifluoromethyl)phenyl

acetonitrile85068‐32‐2 FC(C1=CC(C(F)(F)F)=CC(CC#N)=C1)(F)F

2‐Bromo‐4‐aminothiazole 41731‐33‐3 BrC1=NC(N)=CS1

3‐Bromo‐5‐t‐butylbenzoic acid 794465‐45‐5 BrC1=CC(C(O)=O)=CC(C(C)(C)C)=C1

2‐Bromo‐4‐t‐butyl‐2‐fluoroaniline 1123173‐10‐3 NC1=C(Br)C=C(C(C)(C)C)C=C1F

1‐Bromo‐3‐t‐butyl‐5‐fluoro‐benzene 1123172‐38‐2 BrC1=CC(F)=CC(C(C)(C)C)=C1

4‐Bromo‐2‐chloroanisole 50638‐47‐6 BrC1=CC=C(OC)C(Cl)=C1

4‐Bromo‐6‐chloro‐2,5‐difluoro‐3‐

methylanilineNA NC1=C(Cl)C(F)=C(Br)C(C)=C1F

4‐Bromo‐3‐chloro‐2‐fluoroaniline 115843‐99‐7 NC1=CC=C(Br)C(Cl)=C1F

4‐Bromo‐6‐chloro‐2‐fluoro‐3‐

ethylanilineNA NC1=C(Cl)C=C(Br)C(CC)=C1F


methylanilineNA NC1=C(Cl)C=C(Br)C(C)=C1F


methylanilineNA NC1=C(Cl)C(C)=C(Br)C=C1F

4‐Bromo‐6‐chloro‐2‐fluoroaniline 885453‐49‐6 NC1=C(Cl)C=C(Br)C=C1F

2‐Bromo‐6‐chlorobenzotrifluoride 857061‐44‐0 BrC1=C(C(F)(F)F)C(Cl)=CC=C1

2‐Bromo‐3‐chlorobenzoic acid 25638‐14‐6 BrC1=C(Cl)C=CC=C1C(O)=O

3‐Bromo‐2‐chlorobenzotrifluoride 56131‐47‐6 BrC1=CC=CC(C(F)(F)F)=C1Cl

4‐Bromo‐2‐chlorobenzotrifluoride 467435‐07‐0 ClC1=C(C(F)(F)F)C=CC(Br)=C1

4‐Bromo‐2‐chloro‐3,6‐difluoroaniline NA NC1=C(Cl)C(F)=C(Br)C=C1F

5‐Bromo‐2‐chloro‐4‐methylpyrimidine 633328‐95‐7 ClC1=NC=C(Br)C(C)=N1

4‐Bromo‐2‐chloro‐5‐fluorobenzoic acid 177480‐81‐8 BrC1=CC(Cl)=C(C(O)=O)C=C1F

4‐Bromo‐3,5‐difluoroaniline 203302‐95‐8 NC1=CC(F)=C(Br)C(F)=C1

4‐Bromo‐2,5‐difluoroanisole 202865‐60‐9 FC1=C(Br)C=C(F)C(OC)=C1

5‐Bromo‐2,3‐difluoroanisole 261762‐35‐0 FC1=C(F)C=C(Br)C=C1OC

1‐Bromo‐2,3‐difluorobenzene 38573‐88‐5 FC1=C(F)C=CC=C1Br

1‐Bromo‐3,5‐difluorobenzene 461‐96‐1 FC1=CC(Br)=CC(F)=C1

2‐Bromo‐4,5‐difluorobenzoic acid 64695‐84‐7 BrC1=CC(F)=C(F)C=C1C(O)=O

4‐Bromo‐2,6‐difluorobenzoic acid 183065‐68‐1 BrC1=CC(F)=C(C(O)=O)C(F)=C1

4‐Bromo‐2,6‐difluorobenzonitrile 123843‐67‐4 FC1=C(C#N)C(F)=CC(Br)=C1

4‐Bromo‐2,6‐difluorophenol 104197‐13‐9 BrC1=CC(F)=C(O)C(F)=C1

5‐Bromo‐2,3‐difluorophenol 186590‐26‐1 OC1=CC(Br)=CC(F)=C1F

4‐Bromo‐2,3‐dihydro‐1‐6‐

benzothiophene‐1,1‐dioneNA BrC1=C(CCS(=O)2=O)C2=CC=C1

2‐Bromo‐6‐fluoroaniline 65896‐11‐9 NC1=C(F)C=CC=C1Br

2‐Bromo‐3‐fluoroaniline 111721‐75‐6 NC1=CC=CC(F)=C1Br

4‐Bromo‐2‐fluoroaniline 367‐24‐8 NC1=CC=C(Br)C=C1F

4‐Bromo‐3‐fluoroaniline 656‐65‐5 NC1=CC=C(Br)C(F)=C1

5‐Bromo‐2‐fluoroaniline [2724‐09‐6] NC1=CC(Br)=CC=C1F

2‐Bromo‐5‐fluoroaniline 1003‐99‐2 NC1=CC(F)=CC=C1Br

2‐Bromo‐6‐fluoroanisole 845829‐94‐9 FC1=CC=CC(Br)=C1OC

3‐Bromo‐5‐fluoroanisole 29578‐39‐0 BrC1=CC(OC)=CC(F)=C1

3‐Bromo‐2‐fluoroanisole 295376‐21‐5 BrC1=C(F)C(OC)=CC=C1

4‐Bromo‐3‐fluoroanisole 458‐50‐4 FC1=C(Br)C=CC(OC)=C1

1‐Bromo‐4‐fluorobenzene 460‐00‐4 FC1=CC=C(Br)C=C1

3‐Bromo‐4‐fluorobenzoic acid 1007‐16‐5 BrC1=C(F)C=CC(C(O)=O)=C1

2‐Bromo‐3‐fluorobenzoic acid 132715‐69‐6 FC1=C(C)C(C(O)=O)=CC=C1

3‐Bromo‐2‐fluorobenzoic acid 161957‐56‐8 BrC1=CC=CC(C(O)=O)=C1F

4‐Bromo‐2‐fluorobenzoic acid 112704‐79‐7 BrC1=CC(F)=C(C(O)=O)C=C1

5‐Bromo‐2‐fluorobenzoic acid 146328‐85‐0 BrC1=CC=C(F)C(C(O)=O)=C1

2‐Bromo‐3‐fluorobenzonitrile 425379‐16‐4 BrC1=C(F)C=CC=C1C#N

4‐Bromo‐3‐fluorobenzonitrile 133059‐44‐6 BrC1=C(F)C=C(C#N)C=C1

4‐Bromo‐3‐fluorobenzotrifluoride 40161‐54‐4 BrC1=C(F)C=C(C(F)(F)F)C=C1

3‐Bromo‐2‐fluorobenzotrifluoride 144584‐67‐8 BrC1=CC=CC(C(F)(F)F)=C1F

4‐Bromo‐2‐fluorobenzotrifluoride 351003‐21‐9 FC1=C(C(F)(F)F)C=CC(Br)=C1

2‐Bromo‐6‐fluorobenzoic acid 2252‐37‐1 BrC1=CC=CC(F)=C1C(O)=O

2‐Bromo‐6‐fluorobenzotrifluoride 393‐37‐3 BrC1=C(C(F)(F)F)C(F)=CC=C1

3‐Bromo‐5‐fluorobenzoic acid 176548‐70‐2 BrC1=CC(F)=CC(C(O)=O)=C1

3‐Bromo‐5‐fluorobenzonitrile 179898‐34‐1 BrC1=CC(F)=CC(C#N)=C1

2‐Bromo‐5‐fluorobenzyl alcohol 202865‐66‐5 BrC1=C(CO)C=C(F)C=C1

4‐Bromo‐2‐fluoro‐6‐chloro‐3‐

methylanilineNA NC1=C(Cl)C=C(Br)C(C)=C1F

2‐Bromo‐4‐fluoro‐6‐methylaniline 202865‐77‐8 NC1=C(C)C=C(F)C=C1Br

4‐Bromo‐2‐fluoro‐3‐methylaniline NA NC1=CC=C(Br)C(C)=C1F

4‐Bromo‐2‐fluoro‐5‐methylaniline 418762‐26‐2 NC1=CC(C)=C(Br)C=C1F

4‐Bromo‐5‐Fluoro‐2‐

methylbenzonitrile 916792‐15‐9 BrC1=C(F)C=C(C#N)C(C)=C1

2‐Bromo‐5‐fluoro‐4‐methylaniline 202865‐78‐9 NC1=CC(F)=C(C)C=C1Br

2‐Bromo‐3‐fluoronitrobenzene 59255‐94‐6 BrC1=C(F)C=CC=C1[N+]([O‐])=O

2‐Bromo‐5‐fluoronitrobenzene 446‐09‐3 BrC1=CC=C(F)C=C1[N+]([O‐])=O

4‐Bromo‐2‐fluoronitrobenzene 321‐23‐3 BrC1=CC=C([N+]([O‐])=O)C(F)=C1

4‐Bromo‐3‐fluoronitrobenzene 185331‐69‐5 FC1=CC([N+]([O‐])=O)=CC=C1Br

5‐Bromo‐2‐fluoronitrobenzene 364‐73‐8 FC1=CC=C(Br)C=C1[N+]([O‐])=O

2‐Bromo‐6‐fluorophenol 2040‐89‐3 BrC1=CC=CC(F)=C1O

5‐Bromo‐2‐fluorophenol 112204‐58‐7 OC1=CC(Br)=CC=C1F

1‐(2‐Bromo‐5‐fluorophenyl)ethanone 1006‐33‐3 FC1=CC=C(Br)C(C(C)=O)=C1

1‐(3‐Bromo‐5‐fluorophenyl)ethanone 105515‐20‐6 BrC1=CC(F)=CC(C(C)=O)=C1

4‐Bromo‐2‐fluoropyridine 128071‐98‐7 BrC1=CC(F)=NC=C1

7‐Bromoindole 51417‐51‐7 BrC1=CC=CC2=C1NC=C2

5‐Bromo‐2‐iodopyridine 223463‐13‐6 BrC1=CN=C(I)C=C1

4‐Bromo‐3‐methoxyaniline 19056‐40‐7 NC1=CC=C(Br)C(OC)=C1

2‐Bromo‐4‐methoxy‐1‐nitrobenzene 98447‐30‐4 BrC1=CC(OC)=CC=C1[N+]([O‐])=O

4‐Bromo‐7‐methylisatin 874375‐17‐4 O=C1NC2=C(C(Br)=CC=C2C)C1=O

3‐Bromo‐4‐methylpyridine 3430‐22‐6 CC1=CC=NC=C1Br

5‐Bromo‐2‐methylbenzonitrile 50670‐64‐9 NC1=CC=C(C)C(C#N)=C1

1‐Bromonaphthalen‐2‐ol 573‐97‐7 OC1=CC=C(C=CC=C2)C2=C1Br

6‐Bromo‐2‐naphthol 15231‐91‐1 OC2=CC1=CC=C(Br)C=C1C=C2

3‐Bromo‐2‐nitroaniline 7138‐15‐0 NC1=CC=CC(Br)=C1[N+]([O‐])=O

4‐Bromo‐3‐nitro‐benzonitrile 89642‐49‐9 BrC1=C([N+]([O‐])=O)C=C(C#N)C=C1

2‐Bromophenethylamine 65185‐58‐2 BrC1=CC=CC=C1CCN

2‐(3‐Bromophenyl)acetonitrile 31938‐07‐5 BrC1=CC(CC#N)=CC=C1

4‐(3‐Bromophenyl)‐tetrahydro‐2H‐

pyran‐4‐carboxamide329025‐26‐5 BrC1=CC=CC(C2(C(N)=O)CCOCC2)=C1

4‐(3‐Bromo‐phenyl)‐tetrahydro‐pyran‐

4‐carbonitrile245439‐36‐5 BrC1=CC=CC(C2(C#N)CCOCC2)=C1

5‐Bromopyridine‐2‐carbonitrile 97483‐77‐7 BrC1=CN=C(C#N)C=C1

6‐Bromoquinoline 5332‐25‐2 BrC2=CC=C1N=CC=CC1=C2

1‐(4‐Bromo‐thien‐2‐yl)ethanone [7209‐11‐2] O=C(C)C1=CC(Br)=CS1

6‐Bromo‐2,3,4‐trifluoroaniline 122375‐82‐0 NC1=C(Br)C=C(F)C(F)=C1F

4‐Bromo‐3‐(trifluoromethyl)benzoic

acid161622‐14‐6 BrC1=C(C(F)(F)F)C=C(C(O)=O)C=C1

4‐Bromo‐3‐

(trifluoromethyl)benzonitrile1735‐53‐1 BrC1=C(C(F)(F)F)C=C(C#N)C=C1

2‐Bromo‐4‐(trifluoromethyl)aniline 57946‐63‐1 NC1=CC=C(C(F)(F)F)C=C1Br

2‐Bromo‐4‐

(trifluoromethyl)benzonitrile35764‐15‐9 BrC1=CC(C(F)(F)F)=CC=C1C#N

Bromo‐5‐(trifluoromethyl)aniline 454‐79‐5 NC1=CC(C(F)(F)F)=CC=C1Br


acid1483‐56‐3 BrC1=CC=C(C(F)(F)F)C=C1C(O)=O


acid328‐67‐6 BrC1=CC(C(F)(F)F)=CC(C(O)=O)=C1

2‐Bromo‐5‐

(trifluoromethyl)benzonitrile1483‐55‐2 BrC1=CC=C(C(F)(F)F)C=C1C#N

2‐Bromo‐5‐(trifluoromethyl)pyridine 50488‐42‐1 BrC1=NC=C(C(F)(F)F)C=N1

4‐Bromo‐2‐

(trifluoromethyl)benzonitrile191165‐13‐6 BrC1=CC(C(F)(F)F)=C(C#N)C=C1

1‐Bromo‐2‐(trifluoromethyl)‐4‐

fluorobenzene40161‐55‐5 BrC1=CC=C(F)C=C1C(F)(F)F

4‐Bromo‐2‐(trifluoromethyl)aniline 445‐02‐3 NC1=CC=C(Br)C=C1C(F)(F)F


acid320‐31‐0 BrC1=CC(C(F)(F)F)=C(C(O)=O)C=C1

2‐(Bromomethyl)‐5‐

(trifluoromethyl)furan17515‐77‐4 FC(C1=CC=C(CBr)O1)(F)F

2‐Butoxy‐4,6‐dichloro‐5‐

nitropyrimidineNA

ClC1=C([N+]([O‐

])=O)C(Cl)=NC(OCCCC)=N1

2‐Butoxy‐6‐chloro‐5‐nitropyrimidin‐4‐

amineNA FC1=CC=CC=C1O

2‐Butoxy‐4,6‐dichloro‐5‐

nitropyrimidineNA

NC1=NC(OCCCC)=NC(Cl)=C1[N+]([O‐

])=O

2‐Butoxy‐5‐nitropyrimidine‐4,6‐diol NAClC1=NC(OCCCC)=NC(Cl)=C1[N+]([O‐

])=O

2‐Butoxypyrimidine‐4,6‐diol NAOC1=NC(OCCCC)=NC(O)=C1[N+]([O‐

])=O

6‐t‐Butyl‐3‐bromo‐8‐chloro‐5‐

methoxyquinolineNA

ClC1=CC(C(C)(C)C)=C(OC)C2=C1N=CC(Br

)=C2

4‐t‐Butyl‐2‐chloro‐5‐

methoxybenzenamineNA ClC1=CC(C(C)(C)C)=C(OC)C=C1N

2‐t‐Butyl‐4‐chloro‐5‐nitrophenol 1236061‐41‐8ClC1=CC(C(C)(C)C)=C(O)C=C1[N+]([O‐

])=O

2‐t‐Butyl‐4‐chlorophenol 13395‐85‐2 ClC1=CC(C(C)(C)C)=C(O)C=C1

1‐t‐Butyl‐5‐chloro‐2‐methoxy‐4‐

nitrobenzeneNA

ClC1=CC(C(C)(C)C)=C(OC)C=C1[N+]([O‐

])=O

cis‐4‐t‐Butylcyclohexanol 937‐05‐3C[C@@](C)(C)[C@H]1CC[C@@H](O)CC

1

4‐t‐Butyl‐2‐fluoroaniline 129373‐04‐2 NC1=CC=C(C(C)(C)C)C=C1F

4‐t‐Butyl‐2‐fluorobenzoic acid NA CC(C)(C)C1=CC=C(C(O)=O)C(F)=C1

5‐t‐Butyl‐3‐fluoro‐2‐

hydroxybenzaldehydeNA

FC1=CC(C(C)(C)C)=CC(C=O)=C1OS(=O)(C

(F)(F)F)=O

4‐t‐Butyl‐2‐fluorophenol 38946‐63‐3 FC1=C(O)C=CC(C(C)(C)C)=C1

3‐t‐Butylphenol 585‐34‐2 CC(C)(C)C1=CC=CC(O)=C1

2‐Chloro‐4‐acetylpyrazine 160252‐31‐3 ClC1=NC=C(C(C)=O)N=C1

5‐Chloro‐3‐

bromomethylbenzothiophene1198‐51‐2 ClC1=CC=C2C(C(CBr)=CS2)=C1

2‐Chloro‐3,4‐difluoronitrobenzene 169468‐83‐1 ClC1=C(F)C(F)=CC=C1[N+]([O‐])=O

2‐Chloro‐3,5‐difluoroaniline 36556‐60‐2 NC1=CC(F)=CC(F)=C1Cl

2‐Chloro‐3,5‐difluoronitrobenzene 36556‐59‐9 ClC1=C(F)C=C(F)C=C1[N+]([O‐])=O

2‐(2‐Chloro‐3,5‐

dimethoxyphenyl)acetic acid142688‐96‐8 ClC1=C(CC(O)=O)C=C(OC)C=C1OC

2'‐Chloro‐4',5'‐difluoroacetophenone 121872‐94‐4 CC(C1=CC(F)=C(F)C=C1Cl)=O

2‐Chloro‐4,5‐difluorobenzoic acid 110877‐64‐0 ClC1=CC(F)=C(F)C=C1C(O)=O

2‐Chloro‐4,5‐difluorobenzonitrile 135748‐34‐4 ClC1=CC(F)=C(F)C=C1C#N

3‐Chloro‐4,5‐difluoronitrobenzene 53780‐44‐2 ClC1=CC([N+]([O‐])=O)=CC(F)=C1F

2‐Chloro‐4,6‐difluoroaniline 36556‐56‐6 NC1=C(F)C=C(F)C=C1Cl

4‐Chloro‐2,3‐difluoroaniline 878285‐12‐2 NC1=CC=C(Cl)C(F)=C1F

4‐Chloro‐2,3‐difluoronitrobenzene 169468‐80‐8 FC1=C(F)C([N+]([O‐])=O)=CC=C1Cl

3‐Chloro‐2,4‐difluoroaniline 2613‐34‐5 NC1=C(F)C=CC(Cl)=C1F

5‐Chloro‐2,4‐difluorobenzoic acid 130025‐33‐1 FC1=C(C(O)=O)C=C(Cl)C(F)=C1

5‐Chloro‐2,4‐difluorobenzonitrile 146780‐26‐9 FC1=C(C#N)C=C(Cl)C(F)=C1

5‐Chloro‐2,4‐difluorobenzylamine 924818‐16‐6 NC1=CC(Cl)=C(F)C=C1F

6‐Chloro‐2,5‐difluoro‐3,4‐

dimethylanilineNA NC1=C(Cl)C=C(C)C(C)=C1F

4‐Chloro‐2,5‐difluorobenzoic acid 132794‐07‐1 ClC1=CC(F)=C(C(O)=O)C=C1F

4‐Chloro‐2,5‐difluorobenzonitrile 135748‐35‐5 ClC1=CC(F)=C(C#N)C=C1F

1‐Chloro‐2,6‐difluorobenzene 38361‐37‐4 FC1=CC=CC(F)=C1Cl

2‐Chloro‐3‐fluoroaniline 21397‐08‐0 NC1=CC=CC(F)=C1Cl

2‐Chloro‐4‐fluoroaniline [2106‐02‐7] NC1=CC=C(F)C=C1Cl

2‐Chloro‐5‐fluoroaniline 452‐83‐5 NC1=CC(F)=CC=C1Cl

2‐Chloro‐6‐fluoroaniline 363‐51‐9 NC1=C(F)C=CC=C1Cl

3‐Chloro‐2‐fluoroaniline [2106‐04‐9] NC1=CC=CC(Cl)=C1F

3‐Chloro‐4‐fluoro aniline 367‐21‐5 NC1=CC(Cl)=C(F)C=C1

3‐Chloro‐5‐fluoroaniline 4863‐91‐6 NC1=CC(F)=CC(Cl)=C1

4‐Chloro‐3‐fluoroaniline 367‐22‐6 NC1=CC=C(Cl)C(F)=C1

5‐Chloro‐2‐fluoroaniline 2106‐05‐0 NC1=CC(Cl)=CC=C1F

3‐Chloro‐2‐fluorobenzoic acid 161957‐55‐7 ClC1=CC=CC(C(O)=O)=C1F

3‐Chloro‐5‐fluorobenzoic acid 25026‐64‐6 ClC1=CC(C(O)=O)=CC(F)=C1

4‐Chloro‐3‐fluorobenzoic acid 403‐17‐8 ClC1=C(F)C=C(C(O)=O)C=C1

Chloro‐3‐fluorobenzonitrile 874781‐08‐5 ClC1=C(F)C=CC=C1C#N

2‐Chloro‐5‐fluorobenzonitrile 57381‐56‐3 ClC1=CC=C(F)C=C1C#N

3‐Chloro‐2‐fluorobenzonitrile 94087‐40‐8 ClC1=CC=CC(C#N)=C1F

3‐Chloro‐4‐fluorobenzonitrile 117482‐84‐5 ClC1=C(F)C=CC(C#N)=C1

3‐Chloro‐5‐fluorobenzonitrile 327056‐73‐5 ClC1=CC(F)=CC(C#N)=C1

4‐Chloro‐3‐fluorobenzonitrile 110888‐15‐8 ClC1=C(F)C=C(C#N)C=C1

4‐Chloro‐3‐fluorobenzylbromide 206362‐80‐3 ClC1=CC=C(CBr)C=C1F

4‐Chloro‐2‐fluorobenzotrifluoride 94444‐59‐4 ClC1=CC(F)=C(C(F)(F)F)C=C1

2‐Chloro‐6‐fluorobenzyl alcohol 56456‐50‐9 ClC1=C(CO)C(F)=CC=C1

3‐Chloro‐4‐fluorobenzyl alcohol 161446‐90‐8 ClC1=C(F)C=CC(CO)=C1

3‐Chloro‐4‐fluorobenzylamine 72235‐56‐4 ClC1=CC(CN)=CC=C1F

3‐Chloro‐4‐fluorobromobenzene 60811‐21‐4 BrC1=CC=C(F)C(Cl)=C1

4‐Chloro‐6‐fluoro‐2,3‐dihydro‐1H‐

inden‐5‐amineNA NC1=C(Cl)C2=C(CCC2)C=C1F

6‐Chloro‐4‐fluoro‐2,3‐dihydro‐1H‐

inden‐5‐amineNA NC1=C(Cl)C=C2C(CCC2)=C1F

6‐Chloro‐2‐fluoro‐3‐ethyl‐4‐

methylanilineNA NC1=C(Cl)C=C(C)C(CC)=C1F

2‐Chloro‐6‐fluoro‐4‐methylaniline NA NC1=C(Cl)C=C(C)C=C1F

4‐Chloro‐2‐fluoronitrobenzene 700‐37‐8 ClC1=CC=C([N+]([O‐])=O)C(F)=C1

5‐Chloro‐2‐fluoronitrobenzene 345‐18‐6 FC1=CC=C(Cl)C=C1[N+]([O‐])=O

2‐Chloro‐3‐fluoronitrobenzene 21397‐07‐9 ClC1=C(F)C=CC=C1[N+]([O‐])=O

2‐Chloro‐4‐fluoronitrobenzene 2106‐50‐5 ClC1=CC(F)=CC=C1[N+]([O‐])=O

2‐Chloro‐5‐fluoronitrobenzene 345‐17‐5 ClC1=CC=C(F)C=C1[N+]([O‐])=O

2‐Chloro‐6‐fluoronitrobenzene 64182‐61‐2 ClC1=CC=CC(F)=C1[N+]([O‐])=O

4‐Chloro‐3‐fluoronitrobenzene 350‐31‐2 ClC1=CC=C([N+]([O‐])=O)C=C1F

2‐Chloro‐6‐fluorophenol 2040‐90‐6 ClC1=CC=CC(F)=C1O

3‐Chloro‐4‐fluorophenylacetonitrile 658‐98‐0 ClC1=C(F)C=CC(CC#N)=C1

2‐Chloro‐6‐fluorophenylacetonitrile 75279‐55‐9 ClC1=CC=CC(F)=C1CC#N

2‐Chloro‐5‐fluoropyridine 31301‐51‐6 FC1=CC=C(Cl)N=C1

4‐Chlorofuro[3,2‐c]pyridine 31270‐80‐1 ClC1=NC=CC2=C1C=CO2

2‐Chloro‐5‐hydroxybenzotrifluoride 6294‐93‐5 ClC1=CC=C(O)C=C1C(F)(F)F

4‐Chloro‐6‐iodo‐8‐methylquinoline‐3‐

carboxamideNA ClC2=C(C(N)=O)C=NC1=C(C)C=C(I)C=C12

5‐Chloro‐2‐iodopyridine 244221‐57‐6 ClC1=CN=C(I)C=C1

2‐Chloro‐5‐methoxy aniline 2401‐24‐3 NC1=CC(OC)=CC=C1Cl

2‐Chloromethyl‐4‐methoxy‐3,5‐lutidine

hydrochloride86604‐75‐3 CC1=CN=C(CCl)C(C)=C1OC.Cl

2‐Chloro‐6‐methoxy‐3‐nitropyridine 38533‐61‐8 ClC1=NC(OC)=CC=C1[N+]([O‐])=O

2‐(Chloromethyl)pyrimidine 54198‐88‐8 ClCC1=NC=CC=N1

4‐Chloro‐6‐methylpyrimidine 3435‐25‐4 ClC1=NC=NC(C)=C1

2‐(Chloromethyl)quinoline

Hydrochloride3747‐74‐8 ClCC2=CC=C1C=CC=CC1=N2.Cl

3‐Chloro‐2‐nitroaniline 59483‐54‐4 NC1=CC=CC(Cl)=C1[N+]([O‐])=O

2‐Chloro‐4‐nitropyridine 23056‐36‐2 ClC1=NC=CC([N+]([O‐])=O)=C1

4‐Chlorophenol 106‐48‐9 ClC1=CC=C(O)C=C1

2‐Chlorophenylmethyl bromide 611‐17‐6 BrCC1=CC=CC=C1Cl

7‐Chloro‐2‐phenyl‐quinoline 61687‐26‐1ClC1=CC=C(C=CC(C3=CC=CC=C3)=N2)C2

=C1

5‐Chloropyrazinecarboxylic Acid 36070‐80‐1 ClC1=NC=C(C(O)=O)N=C1

4‐Chloropyridine 626‐61‐9 ClC1=CC=NC=C1

2‐Chloro‐3‐(trifluoromethyl)benzoic

acid39226‐97‐6 ClC1=C(C(F)(F)F)C=CC=C1C(O)=O

2‐Chloro‐4‐(trifluoromethyl)benzyl

alcohol56456‐51‐0 ClC1=C(CO)C=CC(C(F)(F)F)=C1

2‐Chloro‐5‐(trifluoromethyl)benzyl

alcohol64372‐62‐9 ClC1=C(CO)C=C(C(F)(F)F)C=C1

3‐Chloro‐5‐(trifluoromethyl)‐phenol 570391‐18‐3 ClC1=CC(C(F)(F)F)=CC(O)=C1

1‐Cyclohexylpiperazine 17766‐28‐8 N1(C2CCCCC2)CCNCC1

1,1‐Cyclopropanedicarboxylic acid 598‐10‐7 O=C(C1(C(O)=O)CC1)O

2‐Cyclopropylpropan‐2‐amine

Hydrochloride17397‐13‐6 NC(C)(C)C1CC1

2,4‐Diaminomesitylene 3102‐70‐3 CC1=CC(C)=C(N)C(C)=C1N

3,4‐Diamino[3,4‐b]pyridine 54‐96‐6 NC1=C(N)C=CN=C1

3,5‐Dibromoanisole 74137‐36‐3 BrC1=CC(OC)=CC(Br)=C1

1,4‐Dibromo‐2‐butene 821‐06‐7 BrC/C=C/CBr

1,2‐Dibromo‐4‐t‐butylbezene 6683‐75‐6 BrC1=CC=C(C(C)(C)C)C=C1Br

2,6‐Dibromo‐3,5‐dimethoxytoluene 13365‐08‐7 CC1=C(Cl)C(OC)=CC(OC)=C1Cl

1,2‐Dibromocyclopentene 75415‐78‐0 BrC1=C(Br)CCC1

3,5‐Dichloro‐2‐cyanopyridine 85331‐33‐5 ClC1=CN=C(C#N)C(Cl)=C1

1,3‐Dichloro‐2,4‐difluorobenzene 36556‐37‐3 FC1=C(Cl)C(F)=CC=C1Cl

3,5‐Dichloro‐2,4‐difluorobenzoic acid 163656‐30‐2 ClC1=C(F)C(C(O)=O)=CC(Cl)=C1F

1,3‐Dichloro‐2,5‐difluorobenzene 2367‐80‐8 FC1=C(Cl)C=C(F)C=C1Cl

2,6‐Dichloro‐3,5‐dimethoxytoluene 153478‐14‐9 CC1=C(Cl)C(OC)=CC(OC)=C1Cl

2,4‐Dichloro‐3‐fluoronitrobenzene 393‐79‐3 ClC1=C(F)C(Cl)=CC=C1[N+]([O‐])=O

1,2‐Dichloro‐4‐fluoro‐5‐nitrobenzene 2339‐78‐8 FC1=C([N+]([O‐])=O)C=C(Cl)C(Cl)=C1

3,5‐Dichloro‐4‐fluorobenzoic acid 98191‐30‐1 ClC1=CC(C(O)=O)=CC(Cl)=C1F

3,5‐Dichloro‐4‐fluorobenzotrifluoride 77227‐81‐7 ClC1=CC(C(F)(F)F)=CC(Cl)=C1F

2,4‐Dichloro‐5‐fluoro‐3‐nitrobenzoic

acid106809‐14‐7

ClC1=C([N+]([O‐

])=O)C(Cl)=C(F)C=C1C(O)=O

2,4‐Dichloro‐5‐fluorobenzoic acid 86522‐89‐6 ClC1=CC(Cl)=C(F)C=C1C(O)=O

2,4‐Dichloro‐5‐fluorobenzonitrile 128593‐93‐1 ClC1=C(F)C=C(C#N)C(Cl)=C1

2,4‐Dichloro‐5‐fluorobromobenzene 1481‐63‐6 BrC1=CC(F)=C(Cl)C=C1Cl

2,4‐Dichloro‐5‐fluoropyrimidine 2927‐71‐1 FC1=C(Cl)N=C(Cl)N=C1

3,4‐Dichloro‐5‐nitrobenzotrifluoride 400‐65‐7ClC1=C(Cl)C=C([N+]([O‐

])=O)C=C1C(F)(F)F

2,4‐Dichloro‐3‐methylaniline 19853‐79‐3 NC1=CC=C(Cl)C(C)=C1Cl

2,4‐Dichloro‐8‐methyl‐7‐

methoxyquinoline1108659‐32‐0 CC1=C(N=C(Cl)C=C2Cl)C2=CC=C1OC

5,6‐Dichloronicotinic acid 41667‐95‐2 ClC1=C(Cl)N=CC(C(O)=O)=C1

2,4‐Dicyano‐trifluoromethoxybenzene 1020063‐01‐7 N#CC1=C(OC(F)(F)F)C=CC(C#N)=C1

3',5'‐Difluoroacetophenone 123577‐99‐1 CC(C1=CC(F)=CC(F)=C1)=O

2,3‐Difluoroaniline 4519‐40‐8 NC1=CC=CC(F)=C1F

2,3‐Difluoroanisole 134364‐69‐5 FC1=C(F)C=CC=C1OC

2,5‐Difluoroaniline 367‐30‐6 NC1=CC(F)=CC=C1F

2,5‐Difluoroanisole 75626‐17‐4 FC1=CC=C(F)C=C1OC

2,6‐Difluoroanisole 437‐82‐1 FC1=CC=CC(F)=C1OC

3,4‐Difluoroanisole 115144‐40‐6 FC1=CC=C(C=C1F)OC

3,5‐Difluoroanisole 93343‐10‐3 FC1=CC(OC)=CC(F)=C1

2,3‐Difluorobenzoic acid 4519‐39‐5 FC1=C(F)C=CC=C1C(O)=O

2,6‐Difluorobenzoic acid 385‐00‐2 FC1=CC=CC(F)=C1C(O)=O

2,3‐Difluorobenzonitrile 21524‐39‐0 FC1=C(F)C=CC=C1C#N

2,5‐Difluorobenzonitrile 64248‐64‐2 FC1=CC=C(F)C=C1C#N

3,4‐Difluorobenzonitrile 64248‐62‐0 FC1=C(F)C=CC(C#N)=C1

3,5‐Difluorobenzonitrile 64248‐63‐1 FC1=CC(F)=CC(C#N)=C1

2,4‐Difluorobenzyl alcohol 56456‐47‐4 FC1=C(CO)C=CC(F)=C1

2,5‐Difluorobenzyl alcohol 75853‐20‐2 FC1=C(CO)C=C(F)C=C1

3,4‐Difluorobenzyl alcohol 85118‐05‐4 FC1=CC(CO)=CC=C1F

3,5‐Difluorobenzyl alcohol 79538‐20‐8 FC1=CC(CO)=CC(F)=C1

2,4‐Difluorobenzyl bromide 23915‐07‐3 FC1=CC(F)=CC=C1CBr

3,4‐Difluorobromobenzene 348‐61‐8 BrC1=CC=C(F)C(F)=C1

3,5‐Difluorobromobenzene 1435‐43‐4 BrC1=CC(F)=CC(F)=C1

2,4‐Difluoro‐3‐hydroxylbenzoic acid 91659‐08‐4 FC1=C(O)C(F)=CC=C1C(O)=O

2,6‐Difluoro‐4‐hydroxylbenzoic acid 214917‐68‐7 FC1=CC(O)=CC(F)=C1C(O)=O

2,6‐Difluoro‐4‐iodoaniline 141743‐49‐9 NC1=C(F)C=C(I)C=C1F

3,4‐Difluoroiodobenzene 64248‐58‐4 IC1=CC=C(F)C(F)=C1

2,3‐Difluoro‐4‐methoxylbenzoic acid 773873‐26‐0 FC1=C(F)C(OC)=CC=C1C(O)=O

2,4‐Difluoro‐3‐methoxylbenzoic acid 178974‐97‐5 FC1=C(OC)C(F)=CC=C1C(O)=O

3,4‐Difluoro‐2‐methoxylbenzoic acid 875664‐52‐1 FC1=C(OC)C(C(O)=O)=CC=C1F

3,5‐Difluoro‐4‐methoxybenzoic acid 319‐60‐8 FC1=CC(C(O)=O)=CC(F)=C1OC

2,4‐Difluoro‐3‐methoxybenzonitrile 220353‐20‐8 FC1=CC=C(C#N)C(F)=C1OC

2,4‐Difluoro‐5‐nitrobenzonitrile 67152‐20‐9 FC1=C([N+]([O‐])=O)C=C(C#N)C(F)=C1

2,2‐Difluoro‐6‐nitro‐2H‐

benzo[b][1,4]oxazin‐3(4H)‐oneNA

O=C(N2)C(F)(F)OC1=C2C=C([N+]([O‐

])=O)C=C1

2,3‐Difluoro‐6‐nitroanisole 66684‐60‐4 FC1=C(F)C=CC([N+]([O‐])=O)=C1OC

2,3‐Difluoro‐6‐nitrophenol 82419‐26‐9 OC1=C([N+]([O‐])=O)C=CC(F)=C1F

2,3‐Difluoronitrobenzene 6921‐22‐8 FC1=C(F)C=CC=C1[N+]([O‐])=O

2,6‐Difluoronitrobenzene 19064‐24‐5 FC1=CC=CC(F)=C1[N+]([O‐])=O

3,5‐Difluoronitrobenzene 2265‐94‐3 FC1=CC([N+]([O‐])=O)=CC(F)=C1

2,6‐Difluorophenol 28177‐48‐2 FC1=CC=CC(F)=C1O

3,5‐Difluorophenol 2713‐34‐0 OC1=CC(F)=CC(F)=C1

2‐(2,4‐Difluorophenyl)acetic Acid 81228‐09‐3 FC1=CC(F)=CC=C1CC(O)=O

3,4‐Difluorophenylacetic acid 658‐93‐5 FC1=CC(CC(O)=O)=CC=C1F

(2,3‐Difluorophenyl)‐methanol 75853‐18‐8 FC1=C(CO)C=CC=C1F

3,4‐Difluorophenylacetonitrile 658‐99‐1 FC1=C(F)C=CC(CC#N)=C1

2,3‐Dihydro‐4‐benzofuranamine 61090‐37‐7 NC2=C1CCOC1=CC=C2

3,4‐Dihydro‐7‐nitro‐2H‐

benzo[b][1,4]thiazine69373‐37‐1 O=[N+](C1=CC=C2C(SCCN2)=C1)[O‐]

1,4‐Diiodobenzene 624‐38‐4 IC1=CC=C(I)C=C1

1,3‐Dimethoxy‐5‐fluorobenzene 52189‐63‐6 FC1=CC(OC)=CC(OC)=C1

3,5‐Dimethoxyphenylacetic acid [4670‐10‐4] O=C(CC1=CC(OC)=CC(OC)=C1)O

3,5‐Dimethoxytoluene 4179‐19‐5 CC1=CC(OC)=CC(OC)=C1

cis‐Dimethyl Cyclopropane‐1,2‐

dicarboxylate826‐34‐6 O=C([C@H]1[C@@H](C(OC)=O)C1)OC

3,5‐Dimethyl‐1,2‐benzenediamine

Dihydrochloride59007‐83‐9 NC1=CC(C)=CC(C)=C1N.Cl.Cl

2,3‐Dimethyl‐4‐nitroanisole 81029‐03‐0 CC1=C(C)C([N+]([O‐])=O)=CC=C1OC

2,3‐Dimethylfluorobenzene 394‐64‐9 FC1=CC=CC(OC)=C1OC

3,5‐Dimethylpyrazole 67‐51‐6 CC1=CC(C)=NN1

2‐[(4,7‐Dimethylquinazolin‐2‐yl)amino]‐

5,6‐dimethyl‐1H‐pyrimidin‐4‐oneNA

CC2=NC(NC(NC(C)=C3C)=NC3=O)=NC1=

CC(C)=CC=C12

(4,7‐Dimethylquinazolin‐2‐yl)‐

guanidine37836‐89‐8 CC2=NC(NC(N)=N)=NC1=CC(C)=CC=C12

3,5‐Dinitrobenzotrifluoride 401‐99‐0O=[N+](C1=CC(C(F)(F)F)=CC([N+]([O‐

])=O)=C1)[O‐]

1‐(1,1‐Diphenylmethyl)azetidine‐3‐

carbonitrile36476‐86‐5

N#CC1CN(C(C3=CC=CC=C3)C2=CC=CC=C

2)C1

3‐Ethanoylcyclobutan‐1‐one NA O=C1CC(C(O)=O)C1

3‐Ethoxy‐2,4,5‐trifluorobenzoic acid 169507‐61‐3 FC1=CC(C(O)=O)=C(F)C(OCC)=C1F

5‐Ethoxycarbonyl[1,5‐a]pyrimidine‐7‐

carboxylic AcidNA

O=C(C2=NC1=CC=NN1C(C(O)=O)=C2)OC

C

3‐Ethoxyfluorobenzene 458‐03‐7 FC1=CC=CC(OCC)=C1

6‐(Ethoxymethyl)‐pyridin‐2‐

ylmethylamineNA NCC1=NC(COCC)=CC=C1

1‐(4‐Ethoxyphenyl)piperazine 46415‐29‐6 CCOC1=CC=C(N2CCNCC2)C=C1

Ethyl 2‐(methylthio)pyrimidine‐5‐

carboxylate73781‐88‐1 CSC1=NC=C(C(OCC)=O)C=N1

Ethyl 4‐amino‐5‐nitropyridine‐2‐

carboxylateNA NC1=CC(C(OCC)=O)=NC=C1[N+]([O‐])=O

Ethyl‐2‐butynoate 4341‐76‐8 CCCC#CC(OCC)=O

Ethyl‐5‐methylpyrazolo[1,5‐

a]pyrimidine‐7‐carboxylate145371‐72‐8 CC2=NC1=CC=NN1C(C(OCC)=O)=C2

Ethyl‐7‐methylpyrazolo[1,5‐

a]pyrimidine‐5‐carboxylate90840‐53‐2 CC1=CC(C(OCC)=O)=NC2=CC=NN12

4‐Fluoroaniline 371‐40‐4 NC1=CC=C(F)C=C1

2‐Fluoroaniline 348‐54‐9 NC1=CC=CC=C1F

3‐Fluorobenzonitrile 403‐54‐3 FC1=CC(C#N)=CC=C1

3‐Fluoro‐4‐benzyloxybenzoic acid 152552‐64‐2FC1=CC(C(O)=O)=CC=C1OCC2=CC=CC=C

2

2‐Fluoro‐4‐bromobenzonitrile 105942‐08‐3 FC1=CC(Br)=CC=C1C#N

2‐Fluoro‐6‐chloro‐3,4‐dimethylaniline NA NC1=C(Cl)C=C(C)C(C)=C1F

2‐Fluoro‐6‐chloro‐3,5‐dimethylaniline NA NC1=C(Cl)C(C)=C(C)C=C1F

2‐Fluoro‐3,4‐dimethylaniline NA NC1=CC=C(C)C(C)=C1F

3‐Fluoro‐4‐hydroxybenzonitrile 405‐04‐9 FC1=C(O)C=CC(C#N)=C1

2‐Fluoro‐6‐hydroxybenzoic acid 67531‐86‐6 FC1=C(C(O)=O)C(O)=CC=C1

4‐Fluoro‐2‐hydroxybenzoic acid 345‐29‐9 FC1=CC=C(C(O)=O)C(O)=C1

6‐Fluoroindole 399‐51‐9 FC2=CC1=C(C=C2)C=CN1

3‐Fluoro‐2‐iodoaniline 122455‐37‐2 NC1=CC=CC(F)=C1I

4‐Fluoro‐2‐iodoaniline 61272‐76‐2 NC1=CC=C(F)C=C1I

5‐Fluoro‐2‐iodoaniline 6828‐35‐9 NC1=CC(F)=CC=C1I

2‐Fluoro‐6‐iodobenzoic acid 111771‐08‐5 IC1=CC=CC(F)=C1C(O)=O

2‐Fluoro‐6‐iodobenzonitrile 79544‐29‐9 FC1=C(C#N)C(I)=CC=C1

2‐Fluoro‐4‐iodoaniline 29632‐74‐4 NC1=CC=C(I)C=C1F

3‐Fluoro‐4‐iodoaniline 656‐66‐6 NC1=CC=C(I)C(F)=C1

2‐Fluoro‐5‐iodobenzoic acid 124700‐41‐0 FC1=CC=C(I)C=C1C(O)=O

2‐Fluoro‐5‐iodobenzonitirle 351003‐36‐6 FC1=CC=C(I)C=C1C#N

3‐Fluoro‐4‐iodobenzonitrile 887266‐99‐1 FC1=C(I)C=CC(C#N)=C1

3‐Fluoro‐4‐iodonitrobenzene 2996‐30‐7 FC1=CC([N+]([O‐])=O)=CC=C1I

7‐Fluoroisatin 317‐20‐4 O=C1C(NC2=C1C=CC=C2F)=O

4‐Fluoro‐2‐methoxybenzoic acid 395‐82‐4 FC1=CC=C(C(O)=O)C(OC)=C1

4‐Fluoro‐2‐methoxybenzonitrile 191014‐55‐8 FC1=CC(OC)=C(C#N)C=C1

2‐Fluoro‐5‐methoxybenzonitrile 127667‐01‐0 FC1=CC=C(OC)C=C1C#N

(2‐Fluoro‐5‐methoxyphenyl)(6‐

methylpyridin‐2‐yl)methanolNA

OC(C2=CC(OC)=CC=C2F)C1=CC=CC(C)=N

1

(2‐Fluoro‐5‐methoxyphenyl)(6‐

methylpyridin‐2‐yl)methanoneNA

O=C(C2=CC(OC)=CC=C2F)C1=CC=CC(C)=

N1

4‐Fluoro‐3‐methoxyaniline 64465‐53‐8 NC1=CC=C(F)C(OC)=C1

2‐Fluoro‐3‐methoxybenzoic acid 137654‐20‐7 FC1=C(OC)C=CC=C1C(O)=O

4‐Fluoro‐3‐methoxybenzoic acid 82846‐18‐2 FC1=C(OC)C=C(C(O)=O)C=C1

4‐Fluoro‐3‐methoxybenzonitrile 243128‐37‐2 FC1=C(OC)C=C(C#N)C=C1

3‐Fluoro‐4‐methoxyaniline 366‐99‐4 NC1=CC=C(OC)C(F)=C1

2‐Fluoro‐4‐methoxybenzoic acid 321‐24‐4 FC1=CC(OC)=CC=C1C(O)=O

3‐Fluoro‐4‐methoxybenzoic acid 403‐20‐3 FC1=C(OC)C=CC(C(O)=O)=C1

2‐Fluoro‐4‐methoxybenzonitrile 94610‐82‐9 FC1=C(C)C=CC=C1C#N

3‐Fluoro‐4‐methoxybenzonitrile 331‐62‐4 FC1=C(OC)C=CC(C#N)=C1

2‐Fluoro‐6‐methoxybenzoic acid 137654‐21‐8 FC1=C(C(O)=O)C(OC)=CC=C1

2‐Fluoro‐6‐methoxybenzonitrile 94088‐46‐7 FC1=CC=CC(OC)=C1C#N

2‐Fluoro‐3‐methylaniline 1978‐33‐2 NC1=CC=CC(C)=C1F

2‐Fluoro‐4‐methylaniline 452‐80‐2 NC1=CC=C(C)C=C1F

2‐Fluoro‐5‐methylaniline 452‐84‐6 NC1=CC(C)=CC=C1F

2‐Fluoro‐6‐methylaniline 443‐89‐0 NC1=C(C)C=CC=C1F

3‐Fluoro‐2‐methylaniline 443‐86‐7 NC1=CC=CC(F)=C1C

3‐Fluoro‐4‐methylaniline 452‐77‐7 NC1=CC=C(C)C(F)=C1

3‐Fluoro‐5‐methylaniline 52215‐41‐5 NC1=CC(C)=CC(F)=C1

4‐Fluoro‐2‐methylaniline 452‐71‐1 NC1=CC=C(F)C=C1C

4‐Fluoro‐3‐methylaniline 452‐69‐7 NC1=CC=C(F)C(C)=C1

5‐Fluoro‐2‐methylaniline 367‐29‐3 NC1=CC(F)=CC=C1C

4‐Fluoro‐2‐methylanisole 399‐54‐2 FC1=CC=C(C(C)=C1)OC

2‐Fluoro‐3‐methylbenzoic acid 315‐31‐1 ClC1=C(C)C=CC=C1C(O)=O

2‐Fluoro‐4‐methylbenzoic acid 7697‐23‐6 FC1=CC(C)=CC=C1C(O)=O

2‐Fluoro‐5‐methylbenzoic acid 321‐12‐0 FC1=CC=C(C)C=C1C(O)=O

2‐Fluoro‐6‐methylbenzoic acid 90259‐27‐1 FC1=C(C(O)=O)C(C)=CC=C1

3‐Fluoro‐2‐methylbenzoic acid 699‐90‐1 FC1=CC=CC(C(O)=O)=C1C

3‐Fluoro‐4‐methylbenzoic acid 350‐28‐7 FC1=C(C)C=CC(C(O)=O)=C1

3‐Fluoro‐5‐methylbenzoic acid 518070‐19‐4 FC1=CC(C)=CC(C(O)=O)=C1

4‐Fluoro‐2‐methylbenzoic acid 321‐21‐1 FC1=CC=C(C(O)=O)C(C)=C1

5‐Fluoro‐2‐methylbenzoic acid 33184‐16‐6 CC1=C(C(O)=O)C=C(F)C=C1

2‐Fluoro‐5‐methylbenzonitrile 64113‐84‐4 FC1=CC=C(C)C=C1C#N

2‐Fluoro‐3‐methylbenzonitrile 185147‐07‐3 FC1=C(C)C=CC=C1C#N

2‐Fluoro‐4‐methylbenzonitrile 85070‐67‐3 FC1=CC(C)=CC=C1C#N

2‐Fluoro‐6‐methylbenzonitrile 198633‐76‐0 FC1=CC=CC(C)=C1C#N

3‐Fluoro‐2‐methylbenzonitrile 185147‐06‐2 FC1=CC=CC(C#N)=C1C

3‐Fluoro‐4‐methylbenzonitrile 170572‐49‐3 FC1=C(C)C=CC(C#N)=C1

3‐Fluoro‐5‐methylbenzonitrile 216976‐30‐6 CC1=CC(F)=CC(C#N)=C1

4‐Fluoro‐2‐methylbenzonitrile 147754‐12‐9 FC1=CC(C)=C(C#N)C=C1

4‐Fluoro‐3‐methylbenzonitrile 185147‐08‐4 FC1=C(C)C=C(C#N)C=C1

5‐Fluoro‐2‐methylbenzonitrile 77532‐79‐7 CC1=C(C#N)C=C(F)C=C1

1‐Fluoro‐4‐methyl‐cyclohexane‐1‐

carboxylic acidNA FC1(C(O)=O)CCC(C)CC1

4‐Fluoro‐2‐methylphenol 452‐72‐2 FC1=CC=C(O)C(C)=C1

5‐Fluoro‐N‐hydroxypyridine‐2‐

carboxamideNA FC1=CN=C(C(NO)=O)C=C1

2‐Fluoro‐4‐nitroaniline 369‐35‐7 NC1=CC=C([N+]([O‐])=O)C=C1F

2‐Fluoro‐6‐nitroaniline 17809‐36‐8 NC1=C([N+]([O‐])=O)C=CC=C1F

5‐Fluoro‐3‐nitroaniline [2369‐12‐2] NC1=CC(F)=CC([N+]([O‐])=O)=C1

3‐Fluoro‐4‐nitroaniline 2369‐13‐3 NC1=CC=C([N+]([O‐])=O)C(F)=C1

2‐Fluoro‐4‐nitroanisole 455‐93‐6 FC1=CC([N+]([O‐])=O)=CC=C1OC

2‐Fluoro‐5‐nitroanisole 454‐16‐0 FC1=CC=C([N+]([O‐])=O)C=C1OC

4‐Fluoro‐2‐nitroanisole 445‐83‐0 FC1=CC=C(C([N+]([O‐])=O)=C1)OC

5‐Fluoro‐2‐nitroanisole 448‐19‐1 FC1=CC=C([N+]([O‐])=O)C(OC)=C1

1‐Fluoro‐3‐nitrobenzene 402‐67‐5 FC1=CC([N+]([O‐])=O)=CC=C1

2‐Fluoro‐3‐nitrobenzoic acid 317‐46‐4 FC1=C([N+]([O‐])=O)C=CC=C1C(O)=O

2‐Fluoro‐4‐nitrobenzoic acid 403‐24‐7 FC1=CC([N+]([O‐])=O)=CC=C1C(O)=O

2‐Fluoro‐6‐nitrobenzoic acid 385‐02‐4 FC1=C(C(O)=O)C([N+]([O‐])=O)=CC=C1

3‐Fluoro‐4‐nitrobenzoic acid 403‐21‐4 FC1=C([N+]([O‐])=O)C=CC(C(O)=O)=C1

4‐Fluoro‐2‐nitrobenzoic acid 394‐01‐4 FC1=CC=C(C(O)=O)C([N+]([O‐])=O)=C1

4‐Fluoro‐3‐nitrobenzoic acid 453‐71‐4 FC1=C([N+]([O‐])=O)C=C(C(O)=O)C=C1

5‐Fluoro‐2‐nitrobenzoic acid 320‐98‐9 FC1=CC(C(O)=O)=C([N+]([O‐])=O)C=C1

3‐Fluoro‐4‐nitrobenzonitrile 218632‐01‐0 FC1=C([N+]([O‐])=O)C=CC(C#N)=C1

2‐Fluoro‐4‐nitrophenol 403‐19‐0 FC1=C(O)C=CC([N+]([O‐])=O)=C1

3‐Fluoro‐4‐nitrophenol 394‐41‐2 OC1=CC=C([N+]([O‐])=O)C(F)=C1

1‐(2‐Fluoro‐4‐nitro‐phenyl)propan‐2‐

oneNA FC1=C(CC(O)=O)C=CC([N+]([O‐])=O)=C1

1‐(4‐Fluorophenyl)ethanol 403‐41‐8 OC(C)C1=CC=C(F)C=C1

3‐(2‐Fluorophenyl)‐3‐oxopropionitrile 31915‐26‐1 O=C(C1=CC=CC=C1F)CC#N

2‐Fluorophenol 367‐12‐4 FC1=CC(C(C)(C)C)=CC=C1O

3‐Fluorophthalic acid 1583‐67‐1 FC1=C(C(O)=O)C(C(O)=O)=CC=C1

8‐Fluorophthalazin‐1(2H)‐one 23928‐53‐2 FC1=CC=CC2=C1C(NN=C2)=O

3‐Fluorophthalic anhydride 652‐39‐1 FC1=C(C(OC2=O)=O)C2=CC=C1

5‐Fluoropyridine‐2‐carbonitrile 327056‐62‐2 FC1=CN=C(C#N)C=C1

5‐Fluoropyridine‐2‐carboxamide NA FC1=CN=C(C(N)=O)C=C1

5‐Fluoropyridine‐2‐carboxylic acid 107504‐08‐5 FC1=CN=C(C(O)=O)C=C1

(5‐Fluoropyridin‐2‐yl)methanamine 561297‐96‐9 FC1=CN=C(CN)C=C1

4‐Fluororesorcinol 103068‐41‐3 OC1=CC=C(F)C(O)=C1

5‐Fluoro‐2‐(1H‐tetrazol‐5‐yl)pyridine NA FC1=CN=C(C2=NN=NN2)C=C1

2‐Fluoro‐6‐(trifluoromethyl)aniline 144851‐61‐6 NC1=C(C(F)(F)F)C=CC=C1F

3‐Fluoro‐2‐(trifluoromethyl)aniline 123973‐22‐8 NC1=CC=CC(F)=C1C(F)(F)F

3‐Fluoro‐4‐(trifluoromethyl)aniline 69411‐68‐3 NC1=CC=C(C(F)(F)F)C(F)=C1

3‐Fluoro‐5‐(trifluoromethyl)aniline 454‐67‐1 NC1=CC(C(F)(F)F)=CC(F)=C1

4‐Fluoro‐2‐(trifluoromethyl)aniline 393‐39‐5 NC1=CC=C(F)C(C(F)(F)F)=C1

5‐Fluoro‐2‐(trifluoromethyl)aniline 827‐20‐3 NC1=CC(F)=CC=C1C(F)(F)F

2‐Fluoro‐4‐(trifluoromethyl)benzoic

acid115029‐24‐8 FC1=CC(C(F)(F)F)=CC=C1C(O)=O


acid115754‐21‐7 FC1=C(C(F)(F)F)C=CC(C(O)=O)=C1


acid171243‐30‐4 FC1=CC(C(F)(F)F)=CC(C(O)=O)=C1


acid141179‐72‐8 FC1=CC(C(F)(F)F)=C(C(O)=O)C=C1


acid67515‐55‐3 FC1=C(C(F)(F)F)C=C(C(O)=O)C=C1

2‐Fluoro‐4‐

(trifluoromethyl)benzonitrile4088‐84‐0 FC1=CC(C(F)(F)F)=CC=C1C#N

2‐Fluoro‐6‐

(trifluoromethyl)benzonitrile133116‐83‐3 FC1=CC=CC(C(F)(F)F)=C1C#N

3‐Fluoro‐5‐

(trifluoromethyl)benzonitrile149793‐69‐1 FC1=CC(C#N)=CC(C(F)(F)F)=C1

Furo[3,2‐c]pyridine 271‐92‐1 C1(C=CO2)=C2C=CN=C1

2‐Hydroxy‐4‐bromopyridine 36953‐37‐4 BrC1=CC(O)=NC=C1

4‐Hydroxy‐3‐methoxyphenylacetic Acid 306‐08‐1 OC1=CC=C(CC(O)=O)C=C1OC

1‐(3‐Hydroxypropyl)‐4‐

methylpiperazine5317‐33‐9 CN1CCN(CCCO)CC1

2‐(Hydroxymethyl)pyrimidine 42839‐09‐8 OCC1=NC=CC=N1

1‐(2‐Hydroxynaphthalen‐7‐yl)ethanone NA O=C(C)C2=CC1=CC(O)=CC=C1C=C2

2‐Hydroxy‐3‐pyridinecarbonitrile 20577‐27‐9 OC1=NC=CC=C1C

Indole‐3‐acetamide 879‐37‐8 O=C(C1=CNC2=C1C=CC=C2)N

4‐Iodoaniline 540‐37‐4 IC1=CC=C(N)C=C1

2‐Iodo‐3‐fluoronitrobenzene 122455‐36‐1 IC1=C(F)C=CC=C1[N+]([O‐])=O

3‐Iodo‐4‐(trifluoromethoxy)benzoic

acid1110709‐70‐0 IC1=C(OC(F)(F)F)C=CC(C(O)=O)=C1

3‐Iodo‐4‐

(trifluoromethoxy)benzonitrileNA IC1=CC(C#N)=CC=C1OC(F)(F)F

6‐Iodoquinoline 13327‐31‐6 IC2=CC=C1N=CC=CC1=C2

5‐Methoxy‐1‐methyl‐1,6‐dihydro‐2H‐

pyridin‐3‐one66310‐87‐0 O=C1C=C(OC)CN(C)C1

3‐Methoxy‐2,4,5‐trifluorobenzonitrile 112811‐63‐9 FC1=CC(C#N)=C(F)C(OC)=C1F

5‐Methoxy‐2‐nitrobenzoic acid 1882‐69‐5 O=C(C1=CC(OC)=CC=C1[N+]([O‐])=O)O

5‐Methoxy‐3‐(6‐methylpyridin‐2‐yl)‐1H‐

indazoleNA

CC1=NC(C3=NNC2=CC=C(OC)C=C23)=CC

=C1

4‐Methoxy‐3‐methylbenzoic acid [403‐15‐6] FC1=C(C)C=C(C(O)=O)C=C1

3‐Methoxy‐4‐methylbenzoic acid 7151‐68‐0 CC1=C(OC)C=C(C(O)=O)C=C1

3‐Methoxy‐4‐methylbenzonitrile 3556‐60‐3 FC1=C(C#N)C=CC(F)=C1OC

(2‐Methoxyethyl‐(1S,2S)‐2‐

methylcyclopropylmethylamine924899‐21‐8 C[C@@H](C1)C1CNCCOC

(1S,2S)‐4‐

(Methoxymethoxy)cyclopentane‐1,2‐

dicarboxylic acid

NAO=[C@@]([C@@H]1[C@@H]([C@@](

O)=O)C[C@@H](OCOC)C1)O

6‐(Methoxymethyl)‐pyridin‐2‐

ylmethylamineNA NCC1=NC(COC)=CC=C1

1‐(2‐Methoxynaphthalen‐7‐

yl)ethanone72775‐28‐1 O=C(C)C2=CC1=CC(OC)=CC=C1C=C2

3‐Methoxyphenethyl amine 2039‐67‐0 NCCC1=CC=CC(OC)=C1

4‐(4‐Methoxyphenyl)butanoyl chloride 6836‐18‐6 COC1=CC=C(CCCC(Cl)=O)C=C1

4‐(4‐Methoxyphenyl)‐butylamine 72457‐26‐2 NCCCCC1=CC=C(OC)C=C1

4‐(4‐Methoxyphenyl)‐butyramide 2222‐15‐3 O=C(CCCC1=CC=C(OC)C=C1)N

4‐(4‐Methoxyphenyl)‐butyric acid 4521‐28‐2 O=C(CCCC1=CC=C(OC)C=C1)O.C

Methyl‐3‐aminophenylacetate 209991‐63‐9 NC1=CC(CC(OC)=O)=CC=C1

2‐Methylbenzotrifluoride 13630‐19‐8 CC1=C(C(F)(F)F)C=CC=C1

4‐Methylbenzotrifluoride 6140‐17‐6 CC1=CC=C(C(F)(F)F)C=C1

Methyl 2‐(3‐(benzyloxy)phenyl)acrylate 556109‐76‐3C=C(C(OC)=O)C1=CC(OCC2=CC=CC=C2)=

CC=C1

Methyl 2‐bromo‐5‐fluorobenzoate 6942‐39‐8 FC1=CC=C(Br)C(C(OC)=O)=C1

Methyl 2‐chloropyrimidine‐4‐

carboxylate287714‐35‐6 ClC1=NC(C(OC)=O)=CC=N1

(+)‐(1R,2S)‐4‐Methylene‐2‐[(2E)‐3‐

phenyl‐2‐

propenyloxycarbonyl]cyclopentane‐

carboxylic acid

198022‐61‐6C=C1CC(C(OC/C=C/C2=CC=CC=C2)=O)C(

C(O)=O)C1

3‐[[3,4‐

(Methylenedioxy)phenyl]methyl]‐4,5‐

dihydrofuran‐2(3H)‐one

80483‐34‐7 O=C3CC(CO3)CC1=CC2=C(OCO2)C=C1

1‐Methyl‐1H‐imidazo[4,5‐c]pyridine‐6‐

carboxylic acidNA O=C(C1=NC=C(N=CN2C)C2=C1)O

Methyl 3‐Iodo‐4‐methylbenzoate 90347‐66‐3 CC1=CC=C(C(OC)=O)C=C1I

2‐Methylnicotinamide 58539‐65‐4 O=C(N)C1=C(C)N=CC=C1

2‐Methyl‐3‐nitrobenzotrifluoride 6656‐49‐1 CC1=C(C(F)(F)F)C=CC=C1[N+]([O‐])=O

2‐Methyl‐5‐nitrobenzotrifluoride 89976‐12‐5 CC1=CC=C([N+]([O‐])=O)C=C1C(F)(F)F

1‐Methylpiperazine 109‐01‐3 CN1CCNCC1

2‐Methylpiperazine 74879‐18‐8 C[C@@H]1NCCNC1

S‐(+)‐2‐1‐Methyl‐4‐(4‐

piperidinyl)piperazine53617‐36‐0 CN1CCN(C2CCNCC2)CC1

3‐(6‐Methylpyridin‐2‐yl)‐1H‐indazol‐5‐

olNA

OC1=CC=C2C(C(C3=CC=CC(C)=N3)=NN2)

=C1

4‐Methylindole 16096‐32‐5 CC1=CC=CC2=C1C=CN2

(2R)‐2‐Methylpyrrolidine 765‐38‐8 C[C@H]1NCCC1

4‐Methyl‐3‐pyridinecarboxylic acid 3222‐50‐2 CC1=C(C(O)=O)C=NC=C1

2‐Methyl‐3‐(trifluoromethyl)aniline 54396‐44‐0 NC1=CC=CC(C(F)(F)F)=C1C

2‐Methyl‐5‐(trifluoromethyl)aniline 25449‐96‐1 NC1=CC(C(F)(F)F)=CC=C1C

4‐Methyl‐3‐(trifluoromethyl)aniline 65934‐74‐9 NC1=CC=C(C)C(C(F)(F)F)=C1

N‐((3,3‐Difluorocyclobutyl)methyl)‐

cyclopropanamineNA FC(C2)(F)CC2CNC1CC1

N‐(4‐(1‐benzyl‐1,2,5,6‐tetrahydro‐4‐

methylpyridin‐3‐yl)phenyl)acetamideNA

CC1=C(C2=CC=C(NC(C)=O)C=C2)CN(CC3

=CC=CC=C3)CC1

N‐(4‐(1‐cyano‐1,2,5,6‐tetrahydro‐4‐

methylpyridin‐3‐yl)phenyl)acetamideNA

CC1=C(C2=CC=C(NC(C)=O)C=C2)CN(C#N

)CC1

N‐(4‐(1‐Cyano‐4‐methyl‐1,2,5,6‐

tetrahydropyridin‐3‐

yl)phenyl)acetamide

NACC1=C(C2=CC=C(NC(C)=O)C=C2)CN(C#N

)CC1

N‐(4‐(4‐methylpyridin‐3‐

yl)phenyl)acetamideNA

CC1=C(C2=CC=C(NC(C)=O)C=C2)C=NC=C

1

N‐(5‐Chloropyridin‐2‐yl)‐5‐methoxy‐2‐

nitrobenzamideNA

O=C(NC2=NC=C(Cl)C=C2)C1=CC(OC)=CC

=C1[N+]([O‐])=O

N‐(4‐Iodophenyl)acetamide 622‐50‐4 IC1=CC=C(NC(C)=O)C=C1

N,O‐Dimethylacetohydroxamic acid 78191‐00‐1 O=C(C)N(OC)C

R‐N‐[(1E)‐1‐(4‐Bromothiophen‐2‐yl)‐2‐

methylpropane‐2‐sulfinamide917777‐01‐6

C/C(C1=CC(Br)=CS1)=N\[S@@]([C@@]

(C)(C)C)=O

N‐[4‐(4‐Methylpyridin‐3‐

yl)phenyl]ethanamideNA

CC1=C(C2=CC=C(NC(C)=O)C=C2)C=NC=C

1

N‐[4,4,4‐Tris(fluoranyl)butyl]‐

cyclopropanamineNA FC(F)(F)CCCNC1CC1

N‐Benzylhex‐5‐en‐1‐amine 145126‐90‐5 C=CCCCCNCC1=CC=CC=C1

N‐Ethylhex‐5‐en‐1‐amine NA C=CCCCCNCC

N‐Isopropyl‐1‐piperazineacetamide 91086‐20‐3 CC(C)N(CC1)CCN1C(C)=O

N‐Isopropylpiperazine 4318‐42‐7 CC(C)N1CCNCC1

N‐Isopropylpiperazine 2HCl 88569‐66‐8 CC(C)N1CCNCC1.Cl.Cl

6‐Nitro‐1,3‐benzothiazole [2942‐06‐5] O=[N+](C1=CC=C2C(SC=N2)=C1)[O‐]

4‐Nitro‐1‐fluoronaphthalene 341‐92‐4 FC2=C1C=CC=CC1=C([N+]([O‐])=O)C=C2

4‐Nitro‐2‐(trifluoromethyl)aniline 121‐01‐7 NC1=CC=C([N+]([O‐])=O)C=C1C(F)(F)F

2‐Nitro‐5‐fluorobenzoic acid methyl

ester393‐85‐1 FC1=CC=C([N+]([O‐])=O)C(C(OC)=O)=C1

1‐Nitropentane‐4‐one 22020‐87‐7 CC(CCC[N+]([O‐])=O)=O

3‐Nitrophenol 554‐84‐7 OC1=CC=CC([N+]([O‐])=O)=C1

3‐Nitrophenoxyacetic Acid 1878‐88‐2 O=[N+](C1=CC(OCC(O)=O)=CC=C1)[O‐]

2‐(3‐Nitrophenyl)‐2H‐1,2,3‐triazole 342623‐98‐7O=[N+](C1=CC(N2N=CC=N2)=CC=C1)[O‐

]

4‐(4‐Nitrophenyl)‐piperidine 26905‐03‐3 O=[N+](C1=CC=C(C2CCNCC2)C=C1)[O‐]

4‐(4‐Nitrophenyl)‐piperidine ‐ HCl salt 883194‐93‐2O=[N+](C1=CC=C(C2CCNCC2)C=C1)[O‐

].Cl

4‐Nitrophthalonitrile 31643‐49‐9 N#CC1=CC=C([N+]([O‐])=O)C=C1C#N

N‐Methyl‐4‐piperidine carboxylic acid 68947‐43‐3 CN1CCC(C(O)=O)CC1

N‐Methyl‐4‐piperidinecarboxylic acid

methyl ester1690‐75‐1 CN1CCC(C(OC)=O)CC1

N‐Methylhex‐5‐en‐1‐amine 55863‐02‐0 CNCCCCC=C

4‐Piperazineacetophenone 41298‐98‐0 O=C(CN2CCNCC2)C1=CC=CC=C1

Piperazine‐2‐carboxylic acid 2HCl 133525‐05‐0 O=C(C1CNCCN1)O

4‐Piperidyl biphenyl‐2‐ylcarbamate 171722‐92‐2O=C(OC3CCNCC3)NC(C=CC=C2)=C2C1=C

C=CC=C1

2‐(4‐Piperidinyl)‐2‐propanol 22990‐34‐7 CC(O)(C)C1CCNCC1

Propargylamine 2450‐71‐7 [H]C#CCN

(R)‐3‐Pyrrolidinol Hydrochloride 104706‐47‐0 O[C@@H]1CCNC1.Cl

Pyrrolo[1,2‐f][1,2,4]triazin‐4‐amine 159326‐68‐8 NC1=NC=NN2C1=CC=C2

2,3,4,5‐Tetrafluoroaniline 5580‐80‐3 NC1=CC(F)=C(F)C(F)=C1F

2,3,5,6‐Tetrafluoroaniline 700‐14‐7 NC1=C(F)C(F)=CC(F)=C1F

1,2,3,4‐Tetrafluorobenzene 551‐62‐2 FC1=C(F)C=CC(F)=C1F

2,3,4,5‐Tetrafluorbenzoic acid 1201‐31‐6 FC1=C(F)C(F)=C(F)C=C1C(O)=O

2,3,4,5‐Tetrafluorobenzonitrile 16582‐93‐7 FC1=C(F)C(F)=C(F)C=C1C#N

2,3,4,5‐Tetrafluoro‐6‐chlorobenzoic

acid1868‐80‐0 FC1=C(F)C(F)=C(F)C(Cl)=C1C(O)=O

2,3,4,5‐Tetrafluoronitrobenzene 5580‐79‐0 FC1=C(F)C([N+]([O‐])=O)=CC(F)=C1F

2,3,4,5‐Tetrafluoro‐6‐nitrobenzoic acid 16583‐08‐7FC1=C(F)C(F)=C([N+]([O‐

])=O)C(C(O)=O)=C1F

3,4,5,6‐Tetrafluorophthalic acid 652‐03‐9 FC1=C(C(C(O)=O)=C(F)C(F)=C1F)C(O)=O

Tetrafluorophthalic anhydride 652‐12‐0 FC1=C2C(C(OC2=O)=O)=C(F)C(F)=C1F

3,4,5,6‐Tetrahydro‐4H‐pyran‐4‐one 143562‐54‐3 O=C1CCOCC1

2‐(p‐Toluenesulfonyloxy)acetic Acid 39794‐77‐9 CC1=CC=C(S(OCC(O)=O)(=O)=O)C=C1

1H‐(1,2,3)‐Triazole 288‐36‐8 C1=CN=NN1

3‐(2H)‐1,2,3‐Trizazol‐2‐yl)aniline 626248‐56‐4 NC1=CC(N2N=CC=N2)=CC=C1

(1H‐1,2,3‐Triazol‐5‐yl)methanamine NA NCC1=CN=NN1

2',4',5'‐Trifluoroacetophenone 129322‐83‐4 CC(C1=CC(F)=C(F)C=C1F)=O

2,3,5‐Trifluoroaniline 363‐80‐4 NC1=CC(F)=CC(F)=C1F

2,3,6‐Trilfuoroaniline 67815‐56‐9 NC1=C(F)C=CC(F)=C1F

2,4,5‐Trifluoroaniline 367‐34‐0 NC1=CC(F)=C(F)C=C1F

2,4,6‐Trifluoroaniline 363‐81‐5 NC1=C(F)C=C(F)C=C1F

3,4,5‐Trifluoroaniline 163733‐96‐8 NC1=CC(F)=C(F)C(F)=C1

1,2,3‐Trifluorobenzene 1489‐53‐8 FC1=C(F)C=CC=C1F

1,2,4‐Trifluorobenzene 367‐23‐7 FC1=CC=C(F)C=C1F

1,3,5‐Trifluorobenzene 372‐38‐3 FC1=C(F)C=CC=C1F

2,3,4‐Trifluorobenzoic acid 61079‐72‐9 FC1=C(F)C(F)=CC=C1C(O)=O

2,3,6‐Trifluorobenzoic acid 2358‐29‐4 FC1=C(F)C=CC(F)=C1C(O)=O

2,4,5‐Trifluorobenzoic acid 446‐17‐3 FC1=CC(F)=C(F)C=C1C(O)=O

2,4,6‐Trifluorobenzoic acid 28314‐80‐9 FC1=CC(F)=CC(F)=C1C(O)=O

3,4,5‐Trifluorobenzoic acid 121602‐93‐5 FC1=CC(C(O)=O)=CC(F)=C1F

2,3,4‐Trifluorobenzonitrile 143879‐80‐5 FC1=C(F)C(F)=CC=C1C#N

2,3,5‐Trifuorobenzonitrile 241154‐09‐6 FC1=C(F)C=C(F)C=C1C#N

2,3,6‐Trifluorobenzonitrile 136514‐17‐5 FC1=C(F)C=CC(F)=C1C#N

2,4,5‐Trifluorobenzonitrile 98349‐22‐5 FC1=CC(F)=C(F)C=C1C#N

2,4,6‐Trifluorobenzonitrile 96606‐37‐0 FC1=CC(F)=CC(F)=C1C#N

3,4,5‐Trifluorobenzonitrile 134227‐45‐5 FC1=C(F)C(F)=CC(C#N)=C1

2,4,5‐Trifluorobenzyl alcohol 144284‐25‐3 FC1=C(CO)C=C(F)C(F)=C1

2,4,5‐Trifluoro‐3‐bromobenzoic acid 104222‐42‐6 FC1=C(Br)C(F)=C(F)C=C1C(O)=O

2,4,5‐Trifluoro‐3‐chlorobenzoic acid 101513‐77‐3 FC1=C(Cl)C(F)=C(F)C=C1C(O)=O

2,4,5‐Trifluoro‐3‐hydroxybenzoic acid 116751‐24‐7 FC1=C(O)C(F)=C(F)C=C1C(O)=O

2,4,5‐Trifluoro‐3‐methoxybenzoic acid 112811‐65‐1 FC1=C(OC)C(F)=C(F)C=C1C(O)=O

3,4,5‐Trifluorocinnamic acid 152152‐19‐7 FC1=C(F)C(F)=CC(/C=C/C(O)=O)=C1

2‐(2,2,2‐Trifluoroethoxy)aniline 57946‐60‐8 NC1=CC=CC=C1OCC(F)(F)F

4‐(Trifluoromethoxy)benzoic acid 212755‐76‐5 O=C(C1=CC=C(OC(F)(F)F)C=C1)O

3‐(Trifluoromethoxy)benzonitrile 52771‐22‐9 FC(F)(F)OC1=CC=CC(C#N)=C1

4‐(Trifluoromethoxy)benzonitrile 332‐25‐2 N#CC1=CC=C(OC(F)(F)F)C=C1

3‐(Trifluoromethoxy)‐bromobenzene 2252‐44‐0 BrC1=CC(OC(F)(F)F)=CC=C1

4‐(Trifluoromethoxy)‐bromobenzene 407‐14‐7 BrC1=CC=C(OC(F)(F)F)C=C1

4‐(Trifluoromethoxy)phenol 828‐27‐3 OC1=CC=C(OC)C=C1

3‐(Trifluoromethyl)acetophenone 349‐76‐8 CC(C1=CC(C(F)(F)F)=CC=C1)=O

2‐(Trifluoromethyl)anisole 395‐48‐2 FC(C1=CC=CC=C1OC)(F)F

4‐(Trifluoromethyl)anisole 402‐52‐8 COC1=CC=C(C(F)(F)F)C=C1

4‐(Trifluoromethyl)benonitrile 455‐18‐5 N#CC1=CC=C(C(F)(F)F)C=C1

3‐(Trifluoromethyl)benzoic acid 454‐92‐2 FC(C1=CC=CC(C(O)=O)=C1)(F)F

3‐(Trifluoromethyl)benzonitrile 368‐77‐4 CC1=C(OC)C=C(C#N)C=C1

2‐(Trifluoromethyl)benzyl alcohol 346‐06‐5 FC(C1=CC=CC=C1CO)(F)F

3‐(Trifluoromethyl)benzyl alcohol 349‐75‐7 OCC1=CC=CC(C(F)(F)F)=C1

4‐(Trifluoromethyl)benzyl alcohol 349‐95‐1 OCC1=CC=C(C(F)(F)F)C=C1

5‐(Trifluoromethyl)isatin 345‐32‐4 O=C1NC2=C(C=C(C(F)(F)F)C=C2)C1=O

2‐(Trifluoromethyl)phenol 444‐30‐4 OC1=CC=CC=C1C(F)(F)F

4‐(Trifluoromethyl)phenol 402‐45‐9 OC1=CC=C(C(F)(F)F)C=C1

2,3,4‐Trifluoronitrobenzene 771‐69‐7 FC1=C(F)C(F)=CC=C1[N+]([O‐])=O

3,4,5‐Trifluoronitrobenzene 66684‐58‐0 FC1=CC([N+]([O‐])=O)=CC(F)=C1F

3,4,5‐Trifluorophenol 99627‐05‐1 OC1=CC(F)=C(F)C(F)=C1

2,4,5‐Trifluorophenyl acetic acid 209995‐38‐0 FC1=CC(F)=C(F)C=C1CC(O)=O

2,4,5‐Trifluorophenylacetonitrile 220141‐74‐2 FC1=CC(F)=C(F)C=C1CC#N

structure name cas # smiles · structure name cas # smiles...

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