OpenTox Dataset
REST API
Login
Query compounds
Chemical compounds
Datasets
Algorithms
Models
Features
Templates
Similarity
Substructure
Ontology service
ToxPredict
Depiction
Reactions
Tautomers
Help
SMARTS
Keywords
Search for substructure and properties
Search results
Download as
Page:
Page size
License
#
Compound
_ambit2_bb
PUBCHEM_BONDANNOTATIONS
1
2
3
10 11 8 3 2 3 5 7 8 5 8 8 7 9 8 8 10 8 9 11 8
4
5
12 25 6 13 46 5 14 47 6 15 48 6 10 2 5 20 57 6 21 24 8 24 28 8 26 36 5 28 32 8 28 34 8 29 67 5 11 3 6 31 69 6 32 35 8 34 41 8 35 42 8 41 42 8 23 6 5 27 7 3 8 21 8 8 34 8 9 22 5
6
2 5 5
7
12 14 8 14 15 8 6 11 8 6 12 8 10 7 6 8 11 8 8 15 8
8
10 14 5 20 21 5 8 12 6 9 13 6
9
88 10 6 103 100 5 104 261 5 92 11 5 110 116 6 112 117 5 115 119 5 95 12 5 123 122 6 127 130 5 96 13 5 133 139 5 142 331 5 144 150 5 97 15 5 151 154 6 158 162 6 161 166 6 99 17 5 105 18 5 106 19 6 107 20 5 108 21 5 111 22 6 113 23 5 114 24 5 120 26 5 124 27 6 125 28 5 128 29 6 81 3 6 129 30 5 131 31 6 135 33 6 140 34 6 141 36 5 143 37 6 146 38 6 148 39 5 82 4 6 147 40 5 149 41 5 152 42 6 153 43 6 155 44 5 157 45 6 159 46 5 164 47 5 165 48 6 176 50 6 178 51 5 180 52 5 58 66 6 59 65 5 60 64 5 62 68 5 67 72 6 83 7 6 85 84 6 87 236 6 89 237 5 86 9 5 90 98 6 94 101 6
10
6 1 5 3 11 5
