introvoyz041/EChem-Explorations huggingface dataset:
CAS: 493-05-0
SMILES: c1ccc2c(c1)CCOC2
Mapped SMILES: [cH:1]1[cH:2][cH:3][c:4]2[c:5]([cH:6]1)[CH2:7][CH2:8][O:9][CH2:10]2
Reactivity: 1
Oxidation site (atom indices): 8,10
CAS: 86-73-7
SMILES: c1ccc2c(c1)Cc1ccccc1-2
Mapped SMILES: [cH:1]1[cH:2][cH:3][c:4]2[c:5]([cH:6]1)[CH2:7][c:8]1[cH:9][cH:10][cH:11][cH:12][c:13]1-2
Reactivity: 1
Oxidation site (atom indices): 7
CAS: 119-64-2
SMILES: c1ccc2c(c1)CCCC2
Mapped SMILES: [cH:1]1[cH:2][cH:3][c:4]2[c:5]([cH:6]1)[CH2:7][CH2:8][CH2:9][CH2:10]2
Reactivity: 1
Oxidation site (atom indices): 7,10
CAS: 100-41-4
SMILES: CCc1ccccc1
Mapped SMILES: [CH3:1][CH2:2][c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1
Reactivity: 1
Oxidation site (atom indices): 1,2
CAS: 110-83-8
SMILES: C1=CCCCC1
Mapped SMILES: [CH:1]1=[CH:2][CH2:3][CH2:4][CH2:5][CH2:6]1
Reactivity: 1
Oxidation site (atom indices): 3,6
CAS: 110-01-0
SMILES: C1CCSC1
Mapped SMILES: [CH2:1]1[CH2:2][CH2:3][S:4][CH2:5]1
Reactivity: 1
Oxidation site (atom indices): 3,5
CAS: 872-50-4
SMILES: CN1CCCC1=O
Mapped SMILES: [CH3:1][N:2]1[CH2:3][CH2:4][CH2:5][C:6]1=[O:7]
Reactivity: 1
Oxidation site (atom indices): 3
CAS: 538-86-3
SMILES: COCc1ccccc1
Mapped SMILES: [CH3:1][O:2][CH2:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1
Reactivity: 1
Oxidation site (atom indices): 3
CAS: 20138-24-3
SMILES: CCCCN1Cc2ccccc2C1
Mapped SMILES: [CH3:1][CH2:2][CH2:3][CH2:4][N:5]1[CH2:6][c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]2[CH2:13]1
Reactivity: 1
Oxidation site (atom indices): 6,13
CAS: 103-65-1
SMILES: CCCc1ccccc1
Mapped SMILES: [CH3:1][CH2:2][CH2:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1
Reactivity: 1
Oxidation site (atom indices): 3
CAS: 54384-75-7
SMILES: CCCCCCCCOCc1ccc(OC)cc1
Mapped SMILES: [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][O:9][CH2:10][c:11]1[cH:12][cH:13][c:14]([O:15][CH3:16])[cH:17][cH:18]1
Reactivity: 1
Oxidation site (atom indices): 10
CAS: 122-73-6
SMILES: CC(C)CCOCc1ccccc1
Mapped SMILES: [CH3:1][CH:2]([CH3:3])[CH2:4][CH2:5][O:6][CH2:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1
Reactivity: 1
Oxidation site (atom indices): 7
CAS: 591-49-1
SMILES: CC1=CCCCC1
Mapped SMILES: [CH3:1][C:2]1=[CH:3][CH2:4][CH2:5][CH2:6][CH2:7]1
Reactivity: 1
Oxidation site (atom indices): 4,7
CAS: 1674-10-8
SMILES: CC1=C(C)CCCC1
Mapped SMILES: [CH3:1][C:2]1=[C:3]([CH3:4])[CH2:5][CH2:6][CH2:7][CH2:8]1
Reactivity: 1
Oxidation site (atom indices): 5,8
CAS: 142-29-0
SMILES: C1=CCCC1
Mapped SMILES: [CH:1]1=[CH:2][CH2:3][CH2:4][CH2:5]1
Reactivity: 1
Oxidation site (atom indices): 3,5
CAS: 111-66-0
SMILES: C=CCCCCCC
Mapped SMILES: [CH2:1]=[CH:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8]
Reactivity: 1
Oxidation site (atom indices): 3
CAS: 1122-20-9
SMILES: CC1=C(C)C(=O)CCC1
Mapped SMILES: [CH3:1][C:2]1=[C:3]([CH3:4])[C:5](=[O:6])[CH2:7][CH2:8][CH2:9]1
Reactivity: 1
Oxidation site (atom indices): 9
CAS: 18172-67-3
SMILES: C=C1CCC2CC1C2(C)C
Mapped SMILES: [CH2:1]=[C:2]1[CH2:3][CH2:4][CH:5]2[CH2:6][CH:7]1[C:8]2([CH3:9])[CH3:10]
Reactivity: 1
Oxidation site (atom indices): 7
CAS: 2687-91-4
SMILES: CCN1CCCC1=O
Mapped SMILES: [CH3:1][CH2:2][N:3]1[CH2:4][CH2:5][CH2:6][C:7]1=[O:8]
Reactivity: 1
Oxidation site (atom indices): 2,4
CAS: 4030-18-6
SMILES: CC(=O)N1CCCC1
Mapped SMILES: [CH3:1][C:2](=[O:3])[N:4]1[CH2:5][CH2:6][CH2:7][CH2:8]1
Reactivity: 1
Oxidation site (atom indices): 5,8
CAS: 685-91-6
SMILES: CCN(CC)C(C)=O
Mapped SMILES: [CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[C:6]([CH3:7])=[O:8]
Reactivity: 1
Oxidation site (atom indices): 2,4
CAS: 5291-77-0
SMILES: O=C1CCCN1Cc1ccccc1
Mapped SMILES: [O:1]=[C:2]1[CH2:3][CH2:4][CH2:5][N:6]1[CH2:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1
Reactivity: 1
Oxidation site (atom indices): 5,7
CAS: 3389-54-6
SMILES: O=C(c1ccccc1)N1CCCC1
Mapped SMILES: [O:1]=[C:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[N:9]1[CH2:10][CH2:11][CH2:12][CH2:13]1
Reactivity: 1
Oxidation site (atom indices): 10,13
CAS: 776-75-0
SMILES: O=C(c1ccccc1)N1CCCCC1
Mapped SMILES: [O:1]=[C:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[N:9]1[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]1
Reactivity: 1
Oxidation site (atom indices): 10,14
CAS: 625-50-3
SMILES: CCNC(C)=O
Mapped SMILES: [CH3:1][CH2:2][NH:3][C:4]([CH3:5])=[O:6]
Reactivity: 1
Oxidation site (atom indices): 2
CAS: 104-15-4
SMILES: Cc1ccc(S(=O)(=O)O)cc1
Mapped SMILES: [CH3:1][c:2]1[cH:3][cH:4][c:5]([S:6](=[O:7])(=[O:8])[OH:9])[cH:10][cH:11]1
Reactivity: 1
Oxidation site (atom indices): 1
CAS: 496-11-7
SMILES: c1ccc2c(c1)CCC2
Mapped SMILES: [cH:1]1[cH:2][cH:3][c:4]2[c:5]([cH:6]1)[CH2:7][CH2:8][CH2:9]2
Reactivity: 1
Oxidation site (atom indices): 7,9
CAS: 7785-70-8
SMILES: CC1=CCC2CC1C2(C)C
Mapped SMILES: [CH3:1][C:2]1=[CH:3][CH2:4][CH:5]2[CH2:6][CH:7]1[C:8]2([CH3:9])[CH3:10]
Reactivity: 1
Oxidation site (atom indices): 4
CAS: 53-43-0
SMILES: CC12CCC3C(CC=C4CC(O)CCC43C)C1CCC2=O
Mapped SMILES: [CH3:1][C:2]12[CH2:3][CH2:4][CH:5]3[CH:6]([CH2:7][CH:8]=[C:9]4[CH2:10][CH:11]([OH:12])[CH2:13][CH2:14][C:15]34[CH3:16])[CH:17]1[CH2:18][CH2:19][C:20]2=[O:21]
Reactivity: 1
Oxidation site (atom indices): 7
CAS: 853-23-6
SMILES: CC(=O)OC1CCC2(C)C(=CCC3C4CCC(=O)C4(C)CCC32)C1
Mapped SMILES: [CH3:1][C:2](=[O:3])[O:4][CH:5]1[CH2:6][CH2:7][C:8]2([CH3:9])[C:10](=[CH:11][CH2:12][CH:13]3[CH:14]4[CH2:15][CH2:16][C:17](=[O:18])[C:19]4([CH3:20])[CH2:21][CH2:22][CH:23]23)[CH2:24]1
Reactivity: 1
Oxidation site (atom indices): 12
CAS: 771-98-2
SMILES: C1=C(c2ccccc2)CCCC1
Mapped SMILES: [CH:1]1=[C:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[CH2:9][CH2:10][CH2:11][CH2:12]1
Reactivity: 1
Oxidation site (atom indices): 12
CAS: 4630-07-3
SMILES: C=C(C)C1CCC2=CCCC(C)C2(C)C1
Mapped SMILES: [CH2:1]=[C:2]([CH3:3])[CH:4]1[CH2:5][CH2:6][C:7]2=[CH:8][CH2:9][CH2:10][CH:11]([CH3:12])[C:13]2([CH3:14])[CH2:15]1
Reactivity: 1
Oxidation site (atom indices): 9
CAS: 3691-12-1
SMILES: C=C(C)C1CCC(C)C2=C(C1)C(C)CC2
Mapped SMILES: [CH2:1]=[C:2]([CH3:3])[CH:4]1[CH2:5][CH2:6][CH:7]([CH3:8])[C:9]2=[C:10]([CH2:11]1)[CH:12]([CH3:13])[CH2:14][CH2:15]2
Reactivity: 1
Oxidation site (atom indices): 15
CAS: 1061-54-7
SMILES: CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C3CC3OC4(CCC(C)CO4)C(C)C32)C1
Mapped SMILES: [CH3:1][C:2](=[O:3])[O:4][CH:5]1[CH2:6][CH2:7][C:8]2([CH3:9])[C:10](=[CH:11][CH2:12][CH:13]3[CH:14]2[CH2:15][CH2:16][C:17]2([CH3:18])[CH:19]3[CH2:20][CH:21]3[O:22][C:23]4([CH2:24][CH2:25][CH:26]([CH3:27])[CH2:28][O:29]4)[CH:30]([CH3:31])[CH:32]23)[CH2:33]1
Reactivity: 1
Oxidation site (atom indices): 12
CAS: 3419-66-7
SMILES: CC(C)(C)C1=CCCCC1
Mapped SMILES: [CH3:1][C:2]([CH3:3])([CH3:4])[C:5]1=[CH:6][CH2:7][CH2:8][CH2:9][CH2:10]1
Reactivity: 1
Oxidation site (atom indices): 7
CAS: 1724-17-0
SMILES: COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2
Mapped SMILES: [CH3:1][O:2][C:3](=[O:4])[C:5]12[CH2:6][CH2:7][C:8]([CH3:9])([CH3:10])[CH2:11][CH:12]1[C:13]1=[CH:14][CH2:15][CH:16]3[C:17]4([CH3:18])[CH2:19][CH2:20][CH:21]([OH:22])[C:23]([CH3:24])([CH3:25])[CH:26]4[CH2:27][CH2:28][C:29]3([CH3:30])[C:31]1([CH3:32])[CH2:33][CH2:34]2
Reactivity: 1
Oxidation site (atom indices): 15
CAS: 23758-27-2
SMILES: CC1(O)C=CCCC1
Mapped SMILES: [CH3:1][C:2]1([OH:3])[CH:4]=[CH:5][CH2:6][CH2:7][CH2:8]1
Reactivity: 1
Oxidation site (atom indices): 6
CAS: 1914118-18-5
SMILES: CCCCC1(O[Si](C)(C)C)C=CCC1
Mapped SMILES: [CH3:1][CH2:2][CH2:3][CH2:4][C:5]1([O:6][Si:7]([CH3:8])([CH3:9])[CH3:10])[CH:11]=[CH:12][CH2:13][CH2:14]1
Reactivity: 1
Oxidation site (atom indices): 13
CAS: 639061-88-4
SMILES: CC1(O)CCCC=C1c1ccccc1
Mapped SMILES: [CH3:1][C:2]1([OH:3])[CH2:4][CH2:5][CH2:6][CH:7]=[C:8]1[c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1
Reactivity: 1
Oxidation site (atom indices): 6
CAS: 1914118-19-6
SMILES: CC1(O)CCCC=C1c1ccc(C(C)(C)O)cc1
Mapped SMILES: [CH3:1][C:2]1([OH:3])[CH2:4][CH2:5][CH2:6][CH:7]=[C:8]1[c:9]1[cH:10][cH:11][c:12]([C:13]([CH3:14])([CH3:15])[OH:16])[cH:17][cH:18]1
Reactivity: 1
Oxidation site (atom indices): 6
CAS: 1914118-20-9
SMILES: COc1cccc(C2=CCCCC2(C)O)c1
Mapped SMILES: [CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][c:7]([C:8]2=[CH:9][CH2:10][CH2:11][CH2:12][C:13]2([CH3:14])[OH:15])[cH:16]1
Reactivity: 1
Oxidation site (atom indices): 10
CAS: 1914118-21-0
SMILES: COc1cncc(C2=CCCCC2(C)O)c1
Mapped SMILES: [CH3:1][O:2][c:3]1[cH:4][n:5][cH:6][c:7]([C:8]2=[CH:9][CH2:10][CH2:11][CH2:12][C:13]2([CH3:14])[OH:15])[cH:16]1
Reactivity: 1
Oxidation site (atom indices): 10
CAS: 60174-90-5
SMILES: OC1(c2ccccc2)C=CCCC1
Mapped SMILES: [OH:1][C:2]1([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[CH:9]=[CH:10][CH2:11][CH2:12][CH2:13]1
Reactivity: 1
Oxidation site (atom indices): 11
CAS: 122571-39-5
SMILES: CC1=CC(C)(O[Si](C)(C)C)CCC1
Mapped SMILES: [CH3:1][C:2]1=[CH:3][C:4]([CH3:5])([O:6][Si:7]([CH3:8])([CH3:9])[CH3:10])[CH2:11][CH2:12][CH2:13]1
Reactivity: 1
Oxidation site (atom indices): 13
CAS: 18812-62-9
SMILES: CCC=CC(C)(C)O
Mapped SMILES: [CH3:1][CH2:2][CH:3]=[CH:4][C:5]([CH3:6])([CH3:7])[OH:8]
Reactivity: 1
Oxidation site (atom indices): 2
CAS: 42230-62-6
SMILES: CCCCCCC=CC(C)(C)O
Mapped SMILES: [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH:7]=[CH:8][C:9]([CH3:10])([CH3:11])[OH:12]
Reactivity: 1
Oxidation site (atom indices): 6
CAS: 20599-16-0
SMILES: CCCCC#CC(C)(C)O
Mapped SMILES: [CH3:1][CH2:2][CH2:3][CH2:4][C:5]#[C:6][C:7]([CH3:8])([CH3:9])[OH:10]
Reactivity: 1
Oxidation site (atom indices): 4
CAS: 66537-40-4
SMILES: CC1=CCCC(C)(C)C12CCC(C)O2
Mapped SMILES: [CH3:1][C:2]1=[CH:3][CH2:4][CH2:5][C:6]([CH3:7])([CH3:8])[C:9]12[CH2:10][CH2:11][CH:12]([CH3:13])[O:14]2
Reactivity: 1
Oxidation site (atom indices): 4
CAS: 127911-96-0
SMILES: C=C(C)C1CC=C(C)C(C)(O)C1
Mapped SMILES: [CH2:1]=[C:2]([CH3:3])[CH:4]1[CH2:5][CH:6]=[C:7]([CH3:8])[C:9]([CH3:10])([OH:11])[CH2:12]1
Reactivity: 1
Oxidation site (atom indices): 5
CAS: 5989-54-8
SMILES: C=C(C)C1CC=C(C)CC1
Mapped SMILES: [CH2:1]=[C:2]([CH3:3])[CH:4]1[CH2:5][CH:6]=[C:7]([CH3:8])[CH2:9][CH2:10]1
Reactivity: 1
Oxidation site (atom indices): 9
CAS: 36203-31-3
SMILES: CC(=O)OCC1=CCC2CC1C2(C)C
Mapped SMILES: [CH3:1][C:2](=[O:3])[O:4][CH2:5][C:6]1=[CH:7][CH2:8][CH:9]2[CH2:10][CH:11]1[C:12]2([CH3:13])[CH3:14]
Reactivity: 1
Oxidation site (atom indices): 8
CAS: 35836-72-7
SMILES: CC(=O)OCCC1=CCC2CC1C2(C)C
Mapped SMILES: [CH3:1][C:2](=[O:3])[O:4][CH2:5][CH2:6][C:7]1=[CH:8][CH2:9][CH:10]2[CH2:11][CH:12]1[C:13]2([CH3:14])[CH3:15]
Reactivity: 1
Oxidation site (atom indices): 9
CAS: 1914118-22-1
SMILES: CC(=O)NCCC1=CCC2CC1C2(C)C
Mapped SMILES: [CH3:1][C:2](=[O:3])[NH:4][CH2:5][CH2:6][C:7]1=[CH:8][CH2:9][CH:10]2[CH2:11][CH:12]1[C:13]2([CH3:14])[CH3:15]
Reactivity: 1
Oxidation site (atom indices): 9
CAS: 1254311-57-3
SMILES: CC1(C)C2CC=C(CCN3C(=O)CCC3=O)C1C2
Mapped SMILES: [CH3:1][C:2]1([CH3:3])[CH:4]2[CH2:5][CH:6]=[C:7]([CH2:8][CH2:9][N:10]3[C:11](=[O:12])[CH2:13][CH2:14][C:15]3=[O:16])[CH:17]1[CH2:18]2
Reactivity: 1
Oxidation site (atom indices): 5
CAS: 61047-04-9
SMILES: CC(=O)OCCC1=C(C)CCC2C(C)(C)CCCC12C
Mapped SMILES: [CH3:1][C:2](=[O:3])[O:4][CH2:5][CH2:6][C:7]1=[C:8]([CH3:9])[CH2:10][CH2:11][CH:12]2[C:13]([CH3:14])([CH3:15])[CH2:16][CH2:17][CH2:18][C:19]12[CH3:20]
Reactivity: 1
Oxidation site (atom indices): 10
CAS: 1914118-24-3
SMILES: CC1=C2CC(C(C)(C)O[Si](C)(C)C)CCC2(C)CCC1
Mapped SMILES: [CH3:1][C:2]1=[C:3]2[CH2:4][CH:5]([C:6]([CH3:7])([CH3:8])[O:9][Si:10]([CH3:11])([CH3:12])[CH3:13])[CH2:14][CH2:15][C:16]2([CH3:17])[CH2:18][CH2:19][CH2:20]1
Reactivity: 1
Oxidation site (atom indices): 20
CAS: 17627-30-4
SMILES: C=C(C)C1CCC2(C)CCCC(C)=C2C1
Mapped SMILES: [CH2:1]=[C:2]([CH3:3])[CH:4]1[CH2:5][CH2:6][C:7]2([CH3:8])[CH2:9][CH2:10][CH2:11][C:12]([CH3:13])=[C:14]2[CH2:15]1
Reactivity: 1
Oxidation site (atom indices): 11
CAS: 1914118-25-4
SMILES: CC[Si](CC)(CC)OC(C)(C)C1CCC2(C)C=CCC(C)C2C1
Mapped SMILES: [CH3:1][CH2:2][Si:3]([CH2:4][CH3:5])([CH2:6][CH3:7])[O:8][C:9]([CH3:10])([CH3:11])[CH:12]1[CH2:13][CH2:14][C:15]2([CH3:16])[CH:17]=[CH:18][CH2:19][CH:20]([CH3:21])[CH:22]2[CH2:23]1
Reactivity: 1
Oxidation site (atom indices): 19
CAS: 1135-66-6
SMILES: CC1(C)C2=CCCC(C)(C)C23CCC1C3
Mapped SMILES: [CH3:1][C:2]1([CH3:3])[C:4]2=[CH:5][CH2:6][CH2:7][C:8]([CH3:9])([CH3:10])[C:11]23[CH2:12][CH2:13][CH:14]1[CH2:15]3
Reactivity: 1
Oxidation site (atom indices): 6
CAS: 134-28-1
SMILES: CC(=O)OC(C)(C)C1CCC(C)C2=C(C1)C(C)CC2
Mapped SMILES: [CH3:1][C:2](=[O:3])[O:4][C:5]([CH3:6])([CH3:7])[CH:8]1[CH2:9][CH2:10][CH:11]([CH3:12])[C:13]2=[C:14]([CH2:15]1)[CH:16]([CH3:17])[CH2:18][CH2:19]2
Reactivity: 1
Oxidation site (atom indices): 19
CAS: 469-61-4
SMILES: CC1=CCC23CC1C(C)(C)C2CCC3C
Mapped SMILES: [CH3:1][C:2]1=[CH:3][CH2:4][C:5]23[CH2:6][CH:7]1[C:8]([CH3:9])([CH3:10])[CH:11]2[CH2:12][CH2:13][CH:14]3[CH3:15]
Reactivity: 1
Oxidation site (atom indices): 4
CAS: 29685-46-9
SMILES: CC12CCC3C(CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC43C)C1CCC2=O
Mapped SMILES: [CH3:1][C:2]12[CH2:3][CH2:4][CH:5]3[CH:6]([CH2:7][CH:8]=[C:9]4[CH2:10][CH:11]([O:12][CH:13]5[O:14][CH:15]([CH2:16][OH:17])[CH:18]([OH:19])[CH:20]([OH:21])[CH:22]5[OH:23])[CH2:24][CH2:25][C:26]34[CH3:27])[CH:28]1[CH2:29][CH2:30][C:31]2=[O:32]
Reactivity: 1
Oxidation site (atom indices): 7
CAS: 1721-58-0
SMILES: COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(=O)C(C)(C)C4CCC3(C)C1(C)CC2
Mapped SMILES: [CH3:1][O:2][C:3](=[O:4])[C:5]12[CH2:6][CH2:7][C:8]([CH3:9])([CH3:10])[CH2:11][CH:12]1[C:13]1=[CH:14][CH2:15][CH:16]3[C:17]4([CH3:18])[CH2:19][CH2:20][C:21](=[O:22])[C:23]([CH3:24])([CH3:25])[CH:26]4[CH2:27][CH2:28][C:29]3([CH3:30])[C:31]1([CH3:32])[CH2:33][CH2:34]2
Reactivity: 1
Oxidation site (atom indices): 15
CAS: 10527-59-0
SMILES: COC(=O)C1(C)CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
Mapped SMILES: [CH3:1][O:2][C:3](=[O:4])[C:5]1([CH3:6])[CH2:7][CH2:8][C:9]2([CH3:10])[CH2:11][CH2:12][C:13]3([CH3:14])[C:15](=[CH:16][CH2:17][CH:18]4[C:19]5([CH3:20])[CH2:21][CH2:22][CH:23]([OH:24])[C:25]([CH3:26])([CH3:27])[CH:28]5[CH2:29][CH2:30][C:31]34[CH3:32])[CH:33]2[CH2:34]1
Reactivity: 1
Oxidation site (atom indices): 17
CAS: 142-68-7
SMILES: C1CCOCC1
Mapped SMILES: [CH2:1]1[CH2:2][CH2:3][O:4][CH2:5][CH2:6]1
Reactivity: 1
Oxidation site (atom indices): 3,5
CAS: 281-23-2
SMILES: C1C2CC3CC1CC(C2)C3
Mapped SMILES: [CH2:1]1[CH:2]2[CH2:3][CH:4]3[CH2:5][CH:6]1[CH2:7][CH:8]([CH2:9]2)[CH2:10]3
Reactivity: 1
Oxidation site (atom indices): 2,4,6,8
CAS: 1009-14-9
SMILES: CCCCC(=O)c1ccccc1
Mapped SMILES: [CH3:1][CH2:2][CH2:3][CH2:4][C:5](=[O:6])[c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1
Reactivity: 1
Oxidation site (atom indices): 2
CAS: 97222-04-3
SMILES: CCCCCOC(=O)c1ccc(Cl)cc1
Mapped SMILES: [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][O:6][C:7](=[O:8])[c:9]1[cH:10][cH:11][c:12]([Cl:13])[cH:14][cH:15]1
Reactivity: 1
Oxidation site (atom indices): 2,3
CAS: 180716-98-7
SMILES: O=C(OC1CCCCCC1)c1ccc(Cl)cc1
Mapped SMILES: [O:1]=[C:2]([O:3][CH:4]1[CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]1)[c:11]1[cH:12][cH:13][c:14]([Cl:15])[cH:16][cH:17]1
Reactivity: 1
Oxidation site (atom indices): 6,7,8,9
CAS: 564-20-5
SMILES: CC1(C)CCCC2(C)C1CCC1(C)OC(=O)CC12
Mapped SMILES: [CH3:1][C:2]1([CH3:3])[CH2:4][CH2:5][CH2:6][C:7]2([CH3:8])[CH:9]1[CH2:10][CH2:11][C:12]1([CH3:13])[O:14][C:15](=[O:16])[CH2:17][CH:18]21
Reactivity: 1
Oxidation site (atom indices): 4,5,6
CAS: 2961-50-4
SMILES: CCCCCc1ccncc1
Mapped SMILES: [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][c:6]1[cH:7][cH:8][n:9][cH:10][cH:11]1
Reactivity: 1
Oxidation site (atom indices): 2,3
CAS: 2122864-43-9
SMILES: CCCC(C)COC(=O)c1ccc(Cl)cc1
Mapped SMILES: [CH3:1][CH2:2][CH2:3][CH:4]([CH3:5])[CH2:6][O:7][C:8](=[O:9])[c:10]1[cH:11][cH:12][c:13]([Cl:14])[cH:15][cH:16]1
Reactivity: 1
Oxidation site (atom indices): 2,4
CAS: 180716-99-8
SMILES: O=C(OC1CC2CCC1C2)c1ccc(Cl)cc1
Mapped SMILES: [O:1]=[C:2]([O:3][CH:4]1[CH2:5][CH:6]2[CH2:7][CH2:8][CH:9]1[CH2:10]2)[c:11]1[cH:12][cH:13][c:14]([Cl:15])[cH:16][cH:17]1
Reactivity: 1
Oxidation site (atom indices): 7,8
CAS: 2122864-45-1
SMILES: CC1CCC(OC(=O)c2ccc(Cl)cc2)CC1
Mapped SMILES: [CH3:1][CH:2]1[CH2:3][CH2:4][CH:5]([O:6][C:7](=[O:8])[c:9]2[cH:10][cH:11][c:12]([Cl:13])[cH:14][cH:15]2)[CH2:16][CH2:17]1
Reactivity: 1
Oxidation site (atom indices): 2
CAS: 6942-75-2
SMILES: CC(C)CCOC(=O)c1ccc(Cl)cc1
Mapped SMILES: [CH3:1][CH:2]([CH3:3])[CH2:4][CH2:5][O:6][C:7](=[O:8])[c:9]1[cH:10][cH:11][c:12]([Cl:13])[cH:14][cH:15]1
Reactivity: 1
Oxidation site (atom indices): 2
CAS: 916769-73-8
SMILES: O=C(OCCCCc1ccccc1)c1ccc(Cl)cc1
Mapped SMILES: [O:1]=[C:2]([O:3][CH2:4][CH2:5][CH2:6][CH2:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[c:14]1[cH:15][cH:16][c:17]([Cl:18])[cH:19][cH:20]1
Reactivity: 1
Oxidation site (atom indices): 7
CAS: 1090334-58-9
SMILES: COC(=O)C1(NC(=O)c2ccccc2)CCCCC1
Mapped SMILES: [CH3:1][O:2][C:3](=[O:4])[C:5]1([NH:6][C:7](=[O:8])[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]1
Reactivity: 1
Oxidation site (atom indices): 16,17,18
CAS: 53291-80-8
SMILES: O=C1c2ccccc2C(=O)N1C1CCCCCC1
Mapped SMILES: [O:1]=[C:2]1[c:3]2[cH:4][cH:5][cH:6][cH:7][c:8]2[C:9](=[O:10])[N:11]1[CH:12]1[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]1
Reactivity: 1
Oxidation site (atom indices): 14,15,16,17
CAS: 1687-29-2
SMILES: COC(=O)C1CCCCC1C(=O)OC
Mapped SMILES: [CH3:1][O:2][C:3](=[O:4])[CH:5]1[CH2:6][CH2:7][CH2:8][CH2:9][CH:10]1[C:11](=[O:12])[O:13][CH3:14]
Reactivity: 1
Oxidation site (atom indices): 7,8
CAS: 110-82-7
SMILES: C1CCCCC1
Mapped SMILES: [CH2:1]1[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1
Reactivity: 1
Oxidation site (atom indices): 1,2,3,4,5,6
CAS: 108-88-3
SMILES: Cc1ccccc1
Mapped SMILES: [CH3:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1
Reactivity: 1
Oxidation site (atom indices): 1
CAS: 91-17-8
SMILES: C1CCC2CCCCC2C1
Mapped SMILES: [CH2:1]1[CH2:2][CH2:3][CH:4]2[CH2:5][CH2:6][CH2:7][CH2:8][CH:9]2[CH2:10]1
Reactivity: 1
Oxidation site (atom indices): 4,9
CAS: 101-81-5
SMILES: c1ccc(Cc2ccccc2)cc1
Mapped SMILES: [cH:1]1[cH:2][cH:3][c:4]([CH2:5][c:6]2[cH:7][cH:8][cH:9][cH:10][cH:11]2)[cH:12][cH:13]1
Reactivity: 1
Oxidation site (atom indices): 5
CAS: 2207-01-4
SMILES: CC1CCCCC1C
Mapped SMILES: [CH3:1][CH:2]1[CH2:3][CH2:4][CH2:5][CH2:6][CH:7]1[CH3:8]
Reactivity: 1
Oxidation site (atom indices): 2,7
CAS: 2322920-67-0
SMILES: CC(=O)OC1(C)CCC2C(C)(C)C3CC21CCC3C
Mapped SMILES: [CH3:1][C:2](=[O:3])[O:4][C:5]1([CH3:6])[CH2:7][CH2:8][CH:9]2[C:10]([CH3:11])([CH3:12])[CH:13]3[CH2:14][C:15]12[CH2:16][CH2:17][CH:18]3[CH3:19]
Reactivity: 1
Oxidation site (atom indices): 18
CAS: 6790-58-5
SMILES: CC1(C)CCCC2(C)C1CCC1(C)OCCC12
Mapped SMILES: [CH3:1][C:2]1([CH3:3])[CH2:4][CH2:5][CH2:6][C:7]2([CH3:8])[CH:9]1[CH2:10][CH2:11][C:12]1([CH3:13])[O:14][CH2:15][CH2:16][CH:17]21
Reactivity: 1
Oxidation site (atom indices): 15
CAS: 101-82-6
SMILES: c1ccc(Cc2ccccn2)cc1
Mapped SMILES: [cH:1]1[cH:2][cH:3][c:4]([CH2:5][c:6]2[cH:7][cH:8][cH:9][cH:10][n:11]2)[cH:12][cH:13]1
Reactivity: 1
Oxidation site (atom indices): 5
CAS: 1817-77-2
SMILES: O=[N+]([O-])c1ccc(Cc2ccccc2)cc1
Mapped SMILES: [O:1]=[N+:2]([O-:3])[c:4]1[cH:5][cH:6][c:7]([CH2:8][c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16]1
Reactivity: 1
Oxidation site (atom indices): 8
CAS: 90-44-8
SMILES: O=C1c2ccccc2Cc2ccccc21
Mapped SMILES: [O:1]=[C:2]1[c:3]2[cH:4][cH:5][cH:6][cH:7][c:8]2[CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][c:15]21
Reactivity: 1
Oxidation site (atom indices): 2,9
CAS: 1730-48-9
SMILES: COc1ccc2c(c1)CCCC2
Mapped SMILES: [CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:8]1)[CH2:9][CH2:10][CH2:11][CH2:12]2
Reactivity: 1
Oxidation site (atom indices): 11,12
CAS: 496-16-2
SMILES: c1ccc2c(c1)CCO2
Mapped SMILES: [cH:1]1[cH:2][cH:3][c:4]2[c:5]([cH:6]1)[CH2:7][CH2:8][O:9]2
Reactivity: 1
Oxidation site (atom indices): 7
CAS: 774-55-0
SMILES: CC(=O)c1ccc2c(c1)CCCC2
Mapped SMILES: [CH3:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]([cH:9]1)[CH2:10][CH2:11][CH2:12][CH2:13]2
Reactivity: 1
Oxidation site (atom indices): 10
CAS: 21564-91-0
SMILES: Cc1cccc2c1CCCC2C
Mapped SMILES: [CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]1[CH2:8][CH2:9][CH2:10][CH:11]2[CH3:12]
Reactivity: 1
Oxidation site (atom indices): 8
CAS: 536-75-4
SMILES: CCc1ccncc1
Mapped SMILES: [CH3:1][CH2:2][c:3]1[cH:4][cH:5][n:6][cH:7][cH:8]1
Reactivity: 1
Oxidation site (atom indices): 2
CAS: 91-63-4
SMILES: Cc1ccc2ccccc2n1
Mapped SMILES: [CH3:1][c:2]1[cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]2[n:11]1
Reactivity: 1
Oxidation site (atom indices): 1
CAS: 612-58-8
SMILES: Cc1cnc2ccccc2c1
Mapped SMILES: [CH3:1][c:2]1[cH:3][n:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]2[cH:11]1
Reactivity: 1
Oxidation site (atom indices): 1
CAS: 91-62-3
SMILES: Cc1ccc2ncccc2c1
Mapped SMILES: [CH3:1][c:2]1[cH:3][cH:4][c:5]2[n:6][cH:7][cH:8][cH:9][c:10]2[cH:11]1
Reactivity: 1
Oxidation site (atom indices): 1
CAS: 104-93-8
SMILES: COc1ccc(C)cc1
Mapped SMILES: [CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH3:7])[cH:8][cH:9]1
Reactivity: 1
Oxidation site (atom indices): 7
CAS: 92-83-1
SMILES: c1ccc2c(c1)Cc1ccccc1O2
Mapped SMILES: [cH:1]1[cH:2][cH:3][c:4]2[c:5]([cH:6]1)[CH2:7][c:8]1[cH:9][cH:10][cH:11][cH:12][c:13]1[O:14]2
Reactivity: 1
Oxidation site (atom indices): 7
CAS: 106-42-3
SMILES: Cc1ccc(C)cc1
Mapped SMILES: [CH3:1][c:2]1[cH:3][cH:4][c:5]([CH3:6])[cH:7][cH:8]1
Reactivity: 1
Oxidation site (atom indices): 1,6
CAS: 99-87-6
SMILES: Cc1ccc(C(C)C)cc1
Mapped SMILES: [CH3:1][c:2]1[cH:3][cH:4][c:5]([CH:6]([CH3:7])[CH3:8])[cH:9][cH:10]1
Reactivity: 1
Oxidation site (atom indices): 1
CAS: 141-93-5
SMILES: CCc1cccc(CC)c1
Mapped SMILES: [CH3:1][CH2:2][c:3]1[cH:4][cH:5][cH:6][c:7]([CH2:8][CH3:9])[cH:10]1
Reactivity: 1
Oxidation site (atom indices): 2,8
CAS: 106-43-4
SMILES: Cc1ccc(Cl)cc1
Mapped SMILES: [CH3:1][c:2]1[cH:3][cH:4][c:5]([Cl:6])[cH:7][cH:8]1
Reactivity: 1
Oxidation site (atom indices): 1
CAS: 106-38-7
SMILES: Cc1ccc(Br)cc1
Mapped SMILES: [CH3:1][c:2]1[cH:3][cH:4][c:5]([Br:6])[cH:7][cH:8]1
Reactivity: 1
Oxidation site (atom indices): 1
CAS: 135-01-3
SMILES: CCc1ccccc1CC
Mapped SMILES: [CH3:1][CH2:2][c:3]1[cH:4][cH:5][cH:6][cH:7][c:8]1[CH2:9][CH3:10]
Reactivity: 1
Oxidation site (atom indices): 2,9
CAS: 102-25-0
SMILES: CCc1cc(CC)cc(CC)c1
Mapped SMILES: [CH3:1][CH2:2][c:3]1[cH:4][c:5]([CH2:6][CH3:7])[cH:8][c:9]([CH2:10][CH3:11])[cH:12]1
Reactivity: 1
Oxidation site (atom indices): 2,6,10
CAS: 1081-75-0
SMILES: c1ccc(CCCc2ccccc2)cc1
Mapped SMILES: [cH:1]1[cH:2][cH:3][c:4]([CH2:5][CH2:6][CH2:7][c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[cH:14][cH:15]1
Reactivity: 1
Oxidation site (atom indices): 5,7
CAS: 7012-16-0
SMILES: Clc1ccc2c(c1)Cc1cc(Cl)ccc1-2
Mapped SMILES: [Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:7]1)[CH2:8][c:9]1[cH:10][c:11]([Cl:12])[cH:13][cH:14][c:15]1-2
Reactivity: 1
Oxidation site (atom indices): 8
CAS: 877-43-0
SMILES: Cc1ccc2nc(C)ccc2c1
Mapped SMILES: [CH3:1][c:2]1[cH:3][cH:4][c:5]2[n:6][c:7]([CH3:8])[cH:9][cH:10][c:11]2[cH:12]1
Reactivity: 1
Oxidation site (atom indices): 1,8
CAS: 58775-05-6
SMILES: CC(C)(C)c1ccc2c(c1)Cc1cc(C(C)(C)C)ccc1-2
Mapped SMILES: [CH3:1][C:2]([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]2[c:9]([cH:10]1)[CH2:11][c:12]1[cH:13][c:14]([C:15]([CH3:16])([CH3:17])[CH3:18])[cH:19][cH:20][c:21]1-2
Reactivity: 1
Oxidation site (atom indices): 11
CAS: 1463-17-8
SMILES: Cc1ccc2cccc(C)c2n1
Mapped SMILES: [CH3:1][c:2]1[cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][c:9]([CH3:10])[c:11]2[n:12]1
Reactivity: 1
Oxidation site (atom indices): 1
CAS: 1078-28-0
SMILES: COc1ccc2nc(C)ccc2c1
Mapped SMILES: [CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[n:7][c:8]([CH3:9])[cH:10][cH:11][c:12]2[cH:13]1
Reactivity: 1
Oxidation site (atom indices): 9
CAS: 343-43-1
SMILES: Fc1ccc2c(c1)Cc1ccccc1-2
Mapped SMILES: [F:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:7]1)[CH2:8][c:9]1[cH:10][cH:11][cH:12][cH:13][c:14]1-2
Reactivity: 1
Oxidation site (atom indices): 8
CAS: 7661-55-4
SMILES: Cc1cccc2ncccc12
Mapped SMILES: [CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[n:7][cH:8][cH:9][cH:10][c:11]12
Reactivity: 1
Oxidation site (atom indices): 1
CAS: 533-37-9
SMILES: c1cnc2c(c1)CCC2
Mapped SMILES: [cH:1]1[cH:2][n:3][c:4]2[c:5]([cH:6]1)[CH2:7][CH2:8][CH2:9]2
Reactivity: 1
Oxidation site (atom indices): 7
CAS: 578-58-5
SMILES: COc1ccccc1C
Mapped SMILES: [CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][cH:7][c:8]1[CH3:9]
Reactivity: 1
Oxidation site (atom indices): 9
CAS: 2944-49-2
SMILES: COc1cccc(C)c1C
Mapped SMILES: [CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][c:7]([CH3:8])[c:9]1[CH3:10]
Reactivity: 1
Oxidation site (atom indices): 10
CAS: 98-51-1
SMILES: Cc1ccc(C(C)(C)C)cc1
Mapped SMILES: [CH3:1][c:2]1[cH:3][cH:4][c:5]([C:6]([CH3:7])([CH3:8])[CH3:9])[cH:10][cH:11]1
Reactivity: 1
Oxidation site (atom indices): 1
CAS: 4685-47-6
SMILES: COc1ccc(C)c(C)c1
Mapped SMILES: [CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH3:7])[c:8]([CH3:9])[cH:10]1
Reactivity: 1
Oxidation site (atom indices): 7