Checkmol Features Reference PDF
Ring in Drugs PAPER
Ring in Drugs SUPPORT INFO.
ID | Features ID in Sets | Features ID | Features Section | Features Sequence |
---|---|---|---|---|
0 | 1 | Checkmol 1 | Checkmol | cation |
1 | 2 | Checkmol 2 | Checkmol | anion |
2 | 3 | Checkmol 3 | Checkmol | carbonyl compound |
3 | 4 | Checkmol 4 | Checkmol | aldehyde |
4 | 5 | Checkmol 5 | Checkmol | ketone |
5 | 6 | Checkmol 6 | Checkmol | thiocarbonyl compound |
6 | 7 | Checkmol 7 | Checkmol | thioaldehyde |
7 | 8 | Checkmol 8 | Checkmol | thioketone |
8 | 9 | Checkmol 9 | Checkmol | imine |
9 | 10 | Checkmol 10 | Checkmol | hydrazone |
10 | 11 | Checkmol 11 | Checkmol | semicarbazone |
11 | 12 | Checkmol 12 | Checkmol | thiosemicarbazone |
12 | 13 | Checkmol 13 | Checkmol | oxime |
13 | 14 | Checkmol 14 | Checkmol | oxime ether |
14 | 15 | Checkmol 15 | Checkmol | ketene |
15 | 16 | Checkmol 16 | Checkmol | ketene acetal derivative |
16 | 17 | Checkmol 17 | Checkmol | carbonyl hydrate |
17 | 18 | Checkmol 18 | Checkmol | hemiacetal |
18 | 19 | Checkmol 19 | Checkmol | acetal |
19 | 20 | Checkmol 20 | Checkmol | hemiaminal |
20 | 21 | Checkmol 21 | Checkmol | aminal |
21 | 22 | Checkmol 22 | Checkmol | thiohemiaminal |
22 | 23 | Checkmol 23 | Checkmol | thioacetal |
23 | 24 | Checkmol 24 | Checkmol | enamine |
24 | 25 | Checkmol 25 | Checkmol | enol |
25 | 26 | Checkmol 26 | Checkmol | enolether |
26 | 27 | Checkmol 27 | Checkmol | hydroxy compound |
27 | 28 | Checkmol 28 | Checkmol | alcohol |
28 | 29 | Checkmol 29 | Checkmol | prim. alcohol |
29 | 30 | Checkmol 30 | Checkmol | sec. alcohol |
30 | 31 | Checkmol 31 | Checkmol | tert. alcohol |
31 | 32 | Checkmol 32 | Checkmol | 1,2-diol |
32 | 33 | Checkmol 33 | Checkmol | 1,2-aminoalcohol |
33 | 34 | Checkmol 34 | Checkmol | phenol |
34 | 35 | Checkmol 35 | Checkmol | 1,2-diphenol |
35 | 36 | Checkmol 36 | Checkmol | enediol |
36 | 37 | Checkmol 37 | Checkmol | ether |
37 | 38 | Checkmol 38 | Checkmol | dialkylether |
38 | 39 | Checkmol 39 | Checkmol | alkylarylether |
39 | 40 | Checkmol 40 | Checkmol | diarylether |
40 | 41 | Checkmol 41 | Checkmol | thioether |
41 | 42 | Checkmol 42 | Checkmol | disulfide |
42 | 43 | Checkmol 43 | Checkmol | peroxide |
43 | 44 | Checkmol 44 | Checkmol | hydroperoxide |
44 | 45 | Checkmol 45 | Checkmol | hydrazine derivative |
45 | 46 | Checkmol 46 | Checkmol | hydroxylamine |
46 | 47 | Checkmol 47 | Checkmol | amine |
47 | 48 | Checkmol 48 | Checkmol | prim. amine |
48 | 49 | Checkmol 49 | Checkmol | prim. aliphat. amine |
49 | 50 | Checkmol 50 | Checkmol | prim. aromat. amine |
50 | 51 | Checkmol 51 | Checkmol | sec. amine |
51 | 52 | Checkmol 52 | Checkmol | sec. aliphat. amine |
52 | 53 | Checkmol 53 | Checkmol | sec. mixed amine (aryl alkyl) |
53 | 54 | Checkmol 54 | Checkmol | sec. aromat. amine |
54 | 55 | Checkmol 55 | Checkmol | tert. amine |
55 | 56 | Checkmol 56 | Checkmol | tert. aliphat. amine |
56 | 57 | Checkmol 57 | Checkmol | tert. mixed amine |
57 | 58 | Checkmol 58 | Checkmol | tert. arom_amine |
58 | 59 | Checkmol 59 | Checkmol | quaternary ammonium salt |
59 | 60 | Checkmol 60 | Checkmol | N-oxide |
60 | 61 | Checkmol 61 | Checkmol | halogen deriv. |
61 | 62 | Checkmol 62 | Checkmol | alkyl halide |
62 | 63 | Checkmol 63 | Checkmol | alkyl fluoride |
63 | 64 | Checkmol 64 | Checkmol | alkyl chloride |
64 | 65 | Checkmol 65 | Checkmol | alkyl bromide |
65 | 66 | Checkmol 66 | Checkmol | alkyl iodide |
66 | 67 | Checkmol 67 | Checkmol | aryl halide |
67 | 68 | Checkmol 68 | Checkmol | aryl fluoride |
68 | 69 | Checkmol 69 | Checkmol | aryl chloride |
69 | 70 | Checkmol 70 | Checkmol | aryl bromide |
70 | 71 | Checkmol 71 | Checkmol | aryl iodide |
71 | 72 | Checkmol 72 | Checkmol | organometallic compound |
72 | 73 | Checkmol 73 | Checkmol | organolithium compound |
73 | 74 | Checkmol 74 | Checkmol | organomagnesium compound |
74 | 75 | Checkmol 75 | Checkmol | carboxylic acid deriv. |
75 | 76 | Checkmol 76 | Checkmol | carboxylic acid |
76 | 77 | Checkmol 77 | Checkmol | carboxylic acid salt |
77 | 78 | Checkmol 78 | Checkmol | carboxylic acid ester |
78 | 79 | Checkmol 79 | Checkmol | lactone |
79 | 80 | Checkmol 80 | Checkmol | carboxylic acid amide |
80 | 81 | Checkmol 81 | Checkmol | carboxylic acid prim. amide |
81 | 82 | Checkmol 82 | Checkmol | carboxylic acid sec. amide |
82 | 83 | Checkmol 83 | Checkmol | carboxylic acid tert. amide |
83 | 84 | Checkmol 84 | Checkmol | lactam |
84 | 85 | Checkmol 85 | Checkmol | carboxylic acid hydrazide |
85 | 86 | Checkmol 86 | Checkmol | carboxylic acid azide |
86 | 87 | Checkmol 87 | Checkmol | hydroxamic acid |
87 | 88 | Checkmol 88 | Checkmol | carboxylic acid amidine |
88 | 89 | Checkmol 89 | Checkmol | carboxylic acid amidrazone |
89 | 90 | Checkmol 90 | Checkmol | nitrile |
90 | 91 | Checkmol 91 | Checkmol | acyl halide |
91 | 92 | Checkmol 92 | Checkmol | acyl fluoride |
92 | 93 | Checkmol 93 | Checkmol | acyl chloride |
93 | 94 | Checkmol 94 | Checkmol | acyl bromide |
94 | 95 | Checkmol 95 | Checkmol | acyl iodide |
95 | 96 | Checkmol 96 | Checkmol | acyl cyanide |
96 | 97 | Checkmol 97 | Checkmol | imido ester |
97 | 98 | Checkmol 98 | Checkmol | imidoyl halide |
98 | 99 | Checkmol 99 | Checkmol | thiocarboxylic acid deriv. |
99 | 100 | Checkmol 100 | Checkmol | thiocarboxylic acid |
100 | 101 | Checkmol 101 | Checkmol | thiocarboxylic acid ester |
101 | 102 | Checkmol 102 | Checkmol | thiolactone |
102 | 103 | Checkmol 103 | Checkmol | thiocarboxylic acid amide |
103 | 104 | Checkmol 104 | Checkmol | thiolactam |
104 | 105 | Checkmol 105 | Checkmol | imidothioester |
105 | 106 | Checkmol 106 | Checkmol | oxohetarene |
106 | 107 | Checkmol 107 | Checkmol | thioxohetarene |
107 | 108 | Checkmol 108 | Checkmol | iminohetarene |
108 | 109 | Checkmol 109 | Checkmol | orthocarboxylic acid deriv. |
109 | 110 | Checkmol 110 | Checkmol | carboxylic acid orthoester |
110 | 111 | Checkmol 111 | Checkmol | carboxylic acid amide acetal |
111 | 112 | Checkmol 112 | Checkmol | carboxylic acid anhydride |
112 | 113 | Checkmol 113 | Checkmol | carboxylic acid imide |
113 | 114 | Checkmol 114 | Checkmol | carboxylic acid unsubst. imide |
114 | 115 | Checkmol 115 | Checkmol | carboxylic acid subst. imide |
115 | 116 | Checkmol 116 | Checkmol | CO2 deriv. (general) |
116 | 117 | Checkmol 117 | Checkmol | carbonic acid deriv. |
117 | 118 | Checkmol 118 | Checkmol | carbonic acid monoester |
118 | 119 | Checkmol 119 | Checkmol | carbonic acid diester |
119 | 120 | Checkmol 120 | Checkmol | carbonic acid ester halide |
120 | 121 | Checkmol 121 | Checkmol | thiocarbonic acid deriv. |
121 | 122 | Checkmol 122 | Checkmol | thiocarbonic acid monoester |
122 | 123 | Checkmol 123 | Checkmol | thiocarbonic acid diester |
123 | 124 | Checkmol 124 | Checkmol | thiocarbonic acid ester halide |
124 | 125 | Checkmol 125 | Checkmol | carbamic acid deriv |
125 | 126 | Checkmol 126 | Checkmol | carbamic acid |
126 | 127 | Checkmol 127 | Checkmol | carbamic acid ester(urethane) |
127 | 128 | Checkmol 128 | Checkmol | carbamic acid halide |
128 | 129 | Checkmol 129 | Checkmol | thiocarbamic acid deriv. |
129 | 130 | Checkmol 130 | Checkmol | thiocarbamic acid |
130 | 131 | Checkmol 131 | Checkmol | thiocarbamic acid ester |
131 | 132 | Checkmol 132 | Checkmol | thiocarbamic acid halide |
132 | 133 | Checkmol 133 | Checkmol | urea |
133 | 134 | Checkmol 134 | Checkmol | isourea |
134 | 135 | Checkmol 135 | Checkmol | thiourea |
135 | 136 | Checkmol 136 | Checkmol | isothiourea |
136 | 137 | Checkmol 137 | Checkmol | guanidine |
137 | 138 | Checkmol 138 | Checkmol | semicarbazide |
138 | 139 | Checkmol 139 | Checkmol | thiosemicarbazide |
139 | 140 | Checkmol 140 | Checkmol | azide |
140 | 141 | Checkmol 141 | Checkmol | azo compound |
141 | 142 | Checkmol 142 | Checkmol | diazonium salt |
142 | 143 | Checkmol 143 | Checkmol | isonitrile |
143 | 144 | Checkmol 144 | Checkmol | cyanate |
144 | 145 | Checkmol 145 | Checkmol | isocyanate |
145 | 146 | Checkmol 146 | Checkmol | thiocyanate |
146 | 147 | Checkmol 147 | Checkmol | isothiocyanate |
147 | 148 | Checkmol 148 | Checkmol | carbodiimide |
148 | 149 | Checkmol 149 | Checkmol | nitroso compound |
149 | 150 | Checkmol 150 | Checkmol | nitro compound |
150 | 151 | Checkmol 151 | Checkmol | nitrite |
151 | 152 | Checkmol 152 | Checkmol | nitrate |
152 | 153 | Checkmol 153 | Checkmol | sulfuric acid deriv. |
153 | 154 | Checkmol 154 | Checkmol | sulfuric acid |
154 | 155 | Checkmol 155 | Checkmol | sulfuric acid monoester |
155 | 156 | Checkmol 156 | Checkmol | sulfuric acid diester |
156 | 157 | Checkmol 157 | Checkmol | sulfuric acid amide ester |
157 | 158 | Checkmol 158 | Checkmol | sulfuric acid amide |
158 | 159 | Checkmol 159 | Checkmol | sulfuric acid diamide |
159 | 160 | Checkmol 160 | Checkmol | sulfuryl halide |
160 | 161 | Checkmol 161 | Checkmol | sulfonic acid deriv. |
161 | 162 | Checkmol 162 | Checkmol | sulfonic acid |
162 | 163 | Checkmol 163 | Checkmol | sulfonci acid ester |
163 | 164 | Checkmol 164 | Checkmol | sulfonamide |
164 | 165 | Checkmol 165 | Checkmol | sulfonyl halide |
165 | 166 | Checkmol 166 | Checkmol | sulfone |
166 | 167 | Checkmol 167 | Checkmol | sulfoxide |
167 | 168 | Checkmol 168 | Checkmol | sulfinic acid deriv. |
168 | 169 | Checkmol 169 | Checkmol | sulfinic acid |
169 | 170 | Checkmol 170 | Checkmol | sulfinic acid ester |
170 | 171 | Checkmol 171 | Checkmol | sulfinic acid halide |
171 | 172 | Checkmol 172 | Checkmol | sulfinic acid amide |
172 | 173 | Checkmol 173 | Checkmol | sulfenic acid deriv. |
173 | 174 | Checkmol 174 | Checkmol | sulfenic acid |
174 | 175 | Checkmol 175 | Checkmol | sulfenic acid ester |
175 | 176 | Checkmol 176 | Checkmol | sulfenic acid halide |
176 | 177 | Checkmol 177 | Checkmol | sulfenic acid amide |
177 | 178 | Checkmol 178 | Checkmol | thiol |
178 | 179 | Checkmol 179 | Checkmol | alkylthiol |
179 | 180 | Checkmol 180 | Checkmol | arylthiol |
180 | 181 | Checkmol 181 | Checkmol | phosphoric acid deriv. |
181 | 182 | Checkmol 182 | Checkmol | phosphoric acid |
182 | 183 | Checkmol 183 | Checkmol | phosphoric acid ester |
183 | 184 | Checkmol 184 | Checkmol | phosphoric acid halide |
184 | 185 | Checkmol 185 | Checkmol | phosphoric acid amide |
185 | 186 | Checkmol 186 | Checkmol | thiophosphoric acid deriv. |
186 | 187 | Checkmol 187 | Checkmol | thiophosphoric acid |
187 | 188 | Checkmol 188 | Checkmol | thiophosphoric acid ester |
188 | 189 | Checkmol 189 | Checkmol | thiophosphoric acid halide |
189 | 190 | Checkmol 190 | Checkmol | thiophosphoric acid amide |
190 | 191 | Checkmol 191 | Checkmol | phosphonic acid deriv. |
191 | 192 | Checkmol 192 | Checkmol | phosphonic acid |
192 | 193 | Checkmol 193 | Checkmol | phosphonic acid ester |
193 | 194 | Checkmol 194 | Checkmol | phosphine |
194 | 195 | Checkmol 195 | Checkmol | phosphinoxide |
195 | 196 | Checkmol 196 | Checkmol | boronic acid deriv. |
196 | 197 | Checkmol 197 | Checkmol | boronic acid |
197 | 198 | Checkmol 198 | Checkmol | boronic acid ester |
198 | 199 | Checkmol 199 | Checkmol | alkene |
199 | 200 | Checkmol 200 | Checkmol | alkyne |
200 | 201 | Checkmol 201 | Checkmol | aromatic compound |
201 | 202 | Checkmol 202 | Checkmol | heterocyclic compound |
202 | 203 | Checkmol 203 | Checkmol | alpha-aminoacid |
203 | 204 | Checkmol 204 | Checkmol | alpha-hydroxyacid |
204 | 714 | Pubchem #1 | Section7: Complex SMARTS patterns | Cc1ccc(C)cc1 |
205 | 715 | Pubchem #2 | Section7: Complex SMARTS patterns | Cc1ccc(O)cc1 |
206 | 716 | Pubchem #3 | Section7: Complex SMARTS patterns | Cc1ccc(S)cc1 |
207 | 717 | Pubchem #4 | Section7: Complex SMARTS patterns | Cc1ccc(N)cc1 |
208 | 718 | Pubchem #5 | Section7: Complex SMARTS patterns | Cc1ccc(Cl)cc1 |
209 | 719 | Pubchem #6 | Section7: Complex SMARTS patterns | Cc1ccc(Br)cc1 |
210 | 720 | Pubchem #7 | Section7: Complex SMARTS patterns | Oc1ccc(O)cc1 |
211 | 721 | Pubchem #8 | Section7: Complex SMARTS patterns | Oc1ccc(S)cc1 |
212 | 722 | Pubchem #9 | Section7: Complex SMARTS patterns | Oc1ccc(N)cc1 |
213 | 723 | Pubchem #10 | Section7: Complex SMARTS patterns | Oc1ccc(Cl)cc1 |
214 | 724 | Pubchem #11 | Section7: Complex SMARTS patterns | Oc1ccc(Br)cc1 |
215 | 725 | Pubchem #12 | Section7: Complex SMARTS patterns | Sc1ccc(S)cc1 |
216 | 726 | Pubchem #13 | Section7: Complex SMARTS patterns | Sc1ccc(N)cc1 |
217 | 727 | Pubchem #14 | Section7: Complex SMARTS patterns | Sc1ccc(Cl)cc1 |
218 | 728 | Pubchem #15 | Section7: Complex SMARTS patterns | Sc1ccc(Br)cc1 |
219 | 729 | Pubchem #16 | Section7: Complex SMARTS patterns | Nc1ccc(N)cc1 |
220 | 730 | Pubchem #17 | Section7: Complex SMARTS patterns | Nc1ccc(Cl)cc1 |
221 | 731 | Pubchem #18 | Section7: Complex SMARTS patterns | Nc1ccc(Br)cc1 |
222 | 732 | Pubchem #19 | Section7: Complex SMARTS patterns | Clc1ccc(Cl)cc1 |
223 | 733 | Pubchem #20 | Section7: Complex SMARTS patterns | Clc1ccc(Br)cc1 |
224 | 734 | Pubchem #21 | Section7: Complex SMARTS patterns | Brc1ccc(Br)cc1 |
225 | 735 | Pubchem #22 | Section7: Complex SMARTS patterns | Cc1cc(C)ccc1 |
226 | 736 | Pubchem #23 | Section7: Complex SMARTS patterns | Cc1cc(O)ccc1 |
227 | 737 | Pubchem #24 | Section7: Complex SMARTS patterns | Cc1cc(S)ccc1 |
228 | 738 | Pubchem #25 | Section7: Complex SMARTS patterns | Cc1cc(N)ccc1 |
229 | 739 | Pubchem #26 | Section7: Complex SMARTS patterns | Cc1cc(Cl)ccc1 |
230 | 740 | Pubchem #27 | Section7: Complex SMARTS patterns | Cc1cc(Br)ccc1 |
231 | 741 | Pubchem #28 | Section7: Complex SMARTS patterns | Oc1cc(O)ccc1 |
232 | 742 | Pubchem #29 | Section7: Complex SMARTS patterns | Oc1cc(S)ccc1 |
233 | 743 | Pubchem #30 | Section7: Complex SMARTS patterns | Oc1cc(N)ccc1 |
234 | 744 | Pubchem #31 | Section7: Complex SMARTS patterns | Oc1cc(Cl)ccc1 |
235 | 745 | Pubchem #32 | Section7: Complex SMARTS patterns | Oc1cc(Br)ccc1 |
236 | 746 | Pubchem #33 | Section7: Complex SMARTS patterns | Sc1cc(S)ccc1 |
237 | 747 | Pubchem #34 | Section7: Complex SMARTS patterns | Sc1cc(N)ccc1 |
238 | 748 | Pubchem #35 | Section7: Complex SMARTS patterns | Sc1cc(Cl)ccc1 |
239 | 749 | Pubchem #36 | Section7: Complex SMARTS patterns | Sc1cc(Br)ccc1 |
240 | 750 | Pubchem #37 | Section7: Complex SMARTS patterns | Nc1cc(N)ccc1 |
241 | 751 | Pubchem #38 | Section7: Complex SMARTS patterns | Nc1cc(Cl)ccc1 |
242 | 752 | Pubchem #39 | Section7: Complex SMARTS patterns | Nc1cc(Br)ccc1 |
243 | 753 | Pubchem #40 | Section7: Complex SMARTS patterns | Clc1cc(Cl)ccc1 |
244 | 754 | Pubchem #41 | Section7: Complex SMARTS patterns | Clc1cc(Br)ccc1 |
245 | 755 | Pubchem #42 | Section7: Complex SMARTS patterns | Brc1cc(Br)ccc1 |
246 | 756 | Pubchem #43 | Section7: Complex SMARTS patterns | Cc1c(C)cccc1 |
247 | 757 | Pubchem #44 | Section7: Complex SMARTS patterns | Cc1c(O)cccc1 |
248 | 758 | Pubchem #45 | Section7: Complex SMARTS patterns | Cc1c(S)cccc1 |
249 | 759 | Pubchem #46 | Section7: Complex SMARTS patterns | Cc1c(N)cccc1 |
250 | 760 | Pubchem #47 | Section7: Complex SMARTS patterns | Cc1c(Cl)cccc1 |
251 | 761 | Pubchem #48 | Section7: Complex SMARTS patterns | Cc1c(Br)cccc1 |
252 | 762 | Pubchem #49 | Section7: Complex SMARTS patterns | Oc1c(O)cccc1 |
253 | 763 | Pubchem #50 | Section7: Complex SMARTS patterns | Oc1c(S)cccc1 |
254 | 764 | Pubchem #51 | Section7: Complex SMARTS patterns | Oc1c(N)cccc1 |
255 | 765 | Pubchem #52 | Section7: Complex SMARTS patterns | Oc1c(Cl)cccc1 |
256 | 766 | Pubchem #53 | Section7: Complex SMARTS patterns | Oc1c(Br)cccc1 |
257 | 767 | Pubchem #54 | Section7: Complex SMARTS patterns | Sc1c(S)cccc1 |
258 | 768 | Pubchem #55 | Section7: Complex SMARTS patterns | Sc1c(N)cccc1 |
259 | 769 | Pubchem #56 | Section7: Complex SMARTS patterns | Sc1c(Cl)cccc1 |
260 | 770 | Pubchem #57 | Section7: Complex SMARTS patterns | Sc1c(Br)cccc1 |
261 | 771 | Pubchem #58 | Section7: Complex SMARTS patterns | Nc1c(N)cccc1 |
262 | 772 | Pubchem #59 | Section7: Complex SMARTS patterns | Nc1c(Cl)cccc1 |
263 | 773 | Pubchem #60 | Section7: Complex SMARTS patterns | Nc1c(Br)cccc1 |
264 | 774 | Pubchem #61 | Section7: Complex SMARTS patterns | Clc1c(Cl)cccc1 |
265 | 775 | Pubchem #62 | Section7: Complex SMARTS patterns | Clc1c(Br)cccc1 |
266 | 776 | Pubchem #63 | Section7: Complex SMARTS patterns | Brc1c(Br)cccc1 |
267 | 777 | Pubchem #64 | Section7: Complex SMARTS patterns | CC1CCC(C)CC1 |
268 | 778 | Pubchem #65 | Section7: Complex SMARTS patterns | CC1CCC(O)CC1 |
269 | 779 | Pubchem #66 | Section7: Complex SMARTS patterns | CC1CCC(S)CC1 |
270 | 780 | Pubchem #67 | Section7: Complex SMARTS patterns | CC1CCC(N)CC1 |
271 | 781 | Pubchem #68 | Section7: Complex SMARTS patterns | CC1CCC(Cl)CC1 |
272 | 782 | Pubchem #69 | Section7: Complex SMARTS patterns | CC1CCC(Br)CC1 |
273 | 783 | Pubchem #70 | Section7: Complex SMARTS patterns | OC1CCC(O)CC1 |
274 | 784 | Pubchem #71 | Section7: Complex SMARTS patterns | OC1CCC(S)CC1 |
275 | 785 | Pubchem #72 | Section7: Complex SMARTS patterns | OC1CCC(N)CC1 |
276 | 786 | Pubchem #73 | Section7: Complex SMARTS patterns | OC1CCC(Cl)CC1 |
277 | 787 | Pubchem #74 | Section7: Complex SMARTS patterns | OC1CCC(Br)CC1 |
278 | 788 | Pubchem #75 | Section7: Complex SMARTS patterns | SC1CCC(S)CC1 |
279 | 789 | Pubchem #76 | Section7: Complex SMARTS patterns | SC1CCC(N)CC1 |
280 | 790 | Pubchem #77 | Section7: Complex SMARTS patterns | SC1CCC(Cl)CC1 |
281 | 791 | Pubchem #78 | Section7: Complex SMARTS patterns | SC1CCC(Br)CC1 |
282 | 792 | Pubchem #79 | Section7: Complex SMARTS patterns | NC1CCC(N)CC1 |
283 | 793 | Pubchem #80 | Section7: Complex SMARTS patterns | NC1CCC(Cl)CC1 |
284 | 794 | Pubchem #81 | Section7: Complex SMARTS patterns | NC1CCC(Br)CC1 |
285 | 795 | Pubchem #82 | Section7: Complex SMARTS patterns | ClC1CCC(Cl)CC1 |
286 | 796 | Pubchem #83 | Section7: Complex SMARTS patterns | ClC1CCC(Br)CC1 |
287 | 797 | Pubchem #84 | Section7: Complex SMARTS patterns | BrC1CCC(Br)CC1 |
288 | 798 | Pubchem #85 | Section7: Complex SMARTS patterns | CC1CC(C)CCC1 |
289 | 799 | Pubchem #86 | Section7: Complex SMARTS patterns | CC1CC(O)CCC1 |
290 | 800 | Pubchem #87 | Section7: Complex SMARTS patterns | CC1CC(S)CCC1 |
291 | 801 | Pubchem #88 | Section7: Complex SMARTS patterns | CC1CC(N)CCC1 |
292 | 802 | Pubchem #89 | Section7: Complex SMARTS patterns | CC1CC(Cl)CCC1 |
293 | 803 | Pubchem #90 | Section7: Complex SMARTS patterns | CC1CC(Br)CCC1 |
294 | 804 | Pubchem #91 | Section7: Complex SMARTS patterns | OC1CC(O)CCC1 |
295 | 805 | Pubchem #92 | Section7: Complex SMARTS patterns | OC1CC(S)CCC1 |
296 | 806 | Pubchem #93 | Section7: Complex SMARTS patterns | OC1CC(N)CCC1 |
297 | 807 | Pubchem #94 | Section7: Complex SMARTS patterns | OC1CC(Cl)CCC1 |
298 | 808 | Pubchem #95 | Section7: Complex SMARTS patterns | OC1CC(Br)CCC1 |
299 | 809 | Pubchem #96 | Section7: Complex SMARTS patterns | SC1CC(S)CCC1 |
300 | 810 | Pubchem #97 | Section7: Complex SMARTS patterns | SC1CC(N)CCC1 |
301 | 811 | Pubchem #98 | Section7: Complex SMARTS patterns | SC1CC(Cl)CCC1 |
302 | 812 | Pubchem #99 | Section7: Complex SMARTS patterns | SC1CC(Br)CCC1 |
303 | 813 | Pubchem #100 | Section7: Complex SMARTS patterns | NC1CC(N)CCC1 |
304 | 814 | Pubchem #101 | Section7: Complex SMARTS patterns | NC1CC(Cl)CCC1 |
305 | 815 | Pubchem #102 | Section7: Complex SMARTS patterns | NC1CC(Br)CCC1 |
306 | 816 | Pubchem #103 | Section7: Complex SMARTS patterns | ClC1CC(Cl)CCC1 |
307 | 817 | Pubchem #104 | Section7: Complex SMARTS patterns | ClC1CC(Br)CCC1 |
308 | 818 | Pubchem #105 | Section7: Complex SMARTS patterns | BrC1CC(Br)CCC1 |
309 | 819 | Pubchem #106 | Section7: Complex SMARTS patterns | CC1C(C)CCCC1 |
310 | 820 | Pubchem #107 | Section7: Complex SMARTS patterns | CC1C(O)CCCC1 |
311 | 821 | Pubchem #108 | Section7: Complex SMARTS patterns | CC1C(S)CCCC1 |
312 | 822 | Pubchem #109 | Section7: Complex SMARTS patterns | CC1C(N)CCCC1 |
313 | 823 | Pubchem #110 | Section7: Complex SMARTS patterns | CC1C(Cl)CCCC1 |
314 | 824 | Pubchem #111 | Section7: Complex SMARTS patterns | CC1C(Br)CCCC1 |
315 | 825 | Pubchem #112 | Section7: Complex SMARTS patterns | OC1C(O)CCCC1 |
316 | 826 | Pubchem #113 | Section7: Complex SMARTS patterns | OC1C(S)CCCC1 |
317 | 827 | Pubchem #114 | Section7: Complex SMARTS patterns | OC1C(N)CCCC1 |
318 | 828 | Pubchem #115 | Section7: Complex SMARTS patterns | OC1C(Cl)CCCC1 |
319 | 829 | Pubchem #116 | Section7: Complex SMARTS patterns | OC1C(Br)CCCC1 |
320 | 830 | Pubchem #117 | Section7: Complex SMARTS patterns | SC1C(S)CCCC1 |
321 | 831 | Pubchem #118 | Section7: Complex SMARTS patterns | SC1C(N)CCCC1 |
322 | 832 | Pubchem #119 | Section7: Complex SMARTS patterns | SC1C(Cl)CCCC1 |
323 | 833 | Pubchem #120 | Section7: Complex SMARTS patterns | SC1C(Br)CCCC1 |
324 | 834 | Pubchem #121 | Section7: Complex SMARTS patterns | NC1C(N)CCCC1 |
325 | 835 | Pubchem #122 | Section7: Complex SMARTS patterns | NC1C(Cl)CCCC1 |
326 | 836 | Pubchem #123 | Section7: Complex SMARTS patterns | NC1C(Br)CCCC1 |
327 | 837 | Pubchem #124 | Section7: Complex SMARTS patterns | ClC1C(Cl)CCCC1 |
328 | 838 | Pubchem #125 | Section7: Complex SMARTS patterns | ClC1C(Br)CCCC1 |
329 | 839 | Pubchem #126 | Section7: Complex SMARTS patterns | BrC1C(Br)CCCC1 |
330 | 840 | Pubchem #127 | Section7: Complex SMARTS patterns | CC1CC(C)CC1 |
331 | 841 | Pubchem #128 | Section7: Complex SMARTS patterns | CC1CC(O)CC1 |
332 | 842 | Pubchem #129 | Section7: Complex SMARTS patterns | CC1CC(S)CC1 |
333 | 843 | Pubchem #130 | Section7: Complex SMARTS patterns | CC1CC(N)CC1 |
334 | 844 | Pubchem #131 | Section7: Complex SMARTS patterns | CC1CC(Cl)CC1 |
335 | 845 | Pubchem #132 | Section7: Complex SMARTS patterns | CC1CC(Br)CC1 |
336 | 846 | Pubchem #133 | Section7: Complex SMARTS patterns | OC1CC(O)CC1 |
337 | 847 | Pubchem #134 | Section7: Complex SMARTS patterns | OC1CC(S)CC1 |
338 | 848 | Pubchem #135 | Section7: Complex SMARTS patterns | OC1CC(N)CC1 |
339 | 849 | Pubchem #136 | Section7: Complex SMARTS patterns | OC1CC(Cl)CC1 |
340 | 850 | Pubchem #137 | Section7: Complex SMARTS patterns | OC1CC(Br)CC1 |
341 | 851 | Pubchem #138 | Section7: Complex SMARTS patterns | SC1CC(S)CC1 |
342 | 852 | Pubchem #139 | Section7: Complex SMARTS patterns | SC1CC(N)CC1 |
343 | 853 | Pubchem #140 | Section7: Complex SMARTS patterns | SC1CC(Cl)CC1 |
344 | 854 | Pubchem #141 | Section7: Complex SMARTS patterns | SC1CC(Br)CC1 |
345 | 855 | Pubchem #142 | Section7: Complex SMARTS patterns | NC1CC(N)CC1 |
346 | 856 | Pubchem #143 | Section7: Complex SMARTS patterns | NC1CC(Cl)CC1 |
347 | 857 | Pubchem #144 | Section7: Complex SMARTS patterns | NC1CC(Br)CC1 |
348 | 858 | Pubchem #145 | Section7: Complex SMARTS patterns | ClC1CC(Cl)CC1 |
349 | 859 | Pubchem #146 | Section7: Complex SMARTS patterns | ClC1CC(Br)CC1 |
350 | 860 | Pubchem #147 | Section7: Complex SMARTS patterns | BrC1CC(Br)CC1 |
351 | 861 | Pubchem #148 | Section7: Complex SMARTS patterns | CC1C(C)CCC1 |
352 | 862 | Pubchem #149 | Section7: Complex SMARTS patterns | CC1C(O)CCC1 |
353 | 863 | Pubchem #150 | Section7: Complex SMARTS patterns | CC1C(S)CCC1 |
354 | 864 | Pubchem #151 | Section7: Complex SMARTS patterns | CC1C(N)CCC1 |
355 | 865 | Pubchem #152 | Section7: Complex SMARTS patterns | CC1C(Cl)CCC1 |
356 | 866 | Pubchem #153 | Section7: Complex SMARTS patterns | CC1C(Br)CCC1 |
357 | 867 | Pubchem #154 | Section7: Complex SMARTS patterns | OC1C(O)CCC1 |
358 | 868 | Pubchem #155 | Section7: Complex SMARTS patterns | OC1C(S)CCC1 |
359 | 869 | Pubchem #156 | Section7: Complex SMARTS patterns | OC1C(N)CCC1 |
360 | 870 | Pubchem #157 | Section7: Complex SMARTS patterns | OC1C(Cl)CCC1 |
361 | 871 | Pubchem #158 | Section7: Complex SMARTS patterns | OC1C(Br)CCC1 |
362 | 872 | Pubchem #159 | Section7: Complex SMARTS patterns | SC1C(S)CCC1 |
363 | 873 | Pubchem #160 | Section7: Complex SMARTS patterns | SC1C(N)CCC1 |
364 | 874 | Pubchem #161 | Section7: Complex SMARTS patterns | SC1C(Cl)CCC1 |
365 | 875 | Pubchem #162 | Section7: Complex SMARTS patterns | SC1C(Br)CCC1 |
366 | 876 | Pubchem #163 | Section7: Complex SMARTS patterns | NC1C(N)CCC1 |
367 | 877 | Pubchem #164 | Section7: Complex SMARTS patterns | NC1C(Cl)CC1 |
368 | 878 | Pubchem #165 | Section7: Complex SMARTS patterns | NC1C(Br)CCC1 |
369 | 879 | Pubchem #166 | Section7: Complex SMARTS patterns | ClC1C(Cl)CCC1 |
370 | 880 | Pubchem #167 | Section7: Complex SMARTS patterns | ClC1C(Br)CCC1 |
371 | 881 | Pubchem #168 | Section7: Complex SMARTS patterns | BrC1C(Br)CCC1 |
372 | 882 | In-house Moiety #1 | Type: E | carboxylic_acid |
373 | 883 | In-house Moiety #2 | Type: E | phosphoric_acid |
374 | 884 | In-house Moiety #3 | Type: E | sulfuric_acid |
375 | 885 | In-house Moiety #4 | Type: H | hydroxy_compound |
376 | 886 | In-house Moiety #5 | Type: H | ether |
377 | 887 | In-house Moiety #6 | Type: H | prim_amine |
378 | 888 | In-house Moiety #7 | Type: H | sec_amine |
379 | 889 | In-house Moiety #8 | Type: H | carbonyl_compound |
380 | 890 | In-house Moiety #9 | Type: H | pentane_2,4_dione |
381 | 891 | In-house Moiety #10 | Type: H | carboxylic_acid_ester |
382 | 892 | In-house Moiety #11 | Type: H | 2,2_dimethoxypropane |
383 | 893 | In-house Moiety #12 | Type: H | enol |
384 | 894 | In-house Moiety #13 | Type: H | nitro_compound |
385 | 895 | In-house Moiety #14 | Type: H | N_methylacetamide |
386 | 896 | In-house Moiety #15 | Type: H | carboxylic_acid_amide |
387 | 897 | In-house Moiety #16 | Type: H | guanidine |
388 | 898 | In-house Moiety #17 | Type: HV | phenol_ |
389 | 899 | In-house Moiety #18 | Type: HV | 1,2_diphenol |
390 | 900 | In-house Moiety #19 | Type: HV | piperidin_2_one_mod |
391 | 901 | In-house Moiety #20 | Type: HV | pyridine |
392 | 902 | In-house Moiety #21 | Type: HV | pyrimidine |
393 | 903 | In-house Moiety #22 | Type: HV | pyridin_2_amine |
394 | 904 | In-house Moiety #23 | Type: HV | 5__hydroxymethyl_tetrahydrofuran_2,3,4_triol |
395 | 905 | In-house Moiety #24 | Type: HV | quinazoline_ |
396 | 906 | In-house Moiety #25 | Type: HV | 2_amino_1H_purin_6_9H__one |
397 | 907 | In-house Moiety #26 | Type: HV | 9H_purin_6_amine |
398 | 908 | In-house Moiety #27 | Type: V | butane |
399 | 909 | In-house Moiety #28 | Type: V | alkene |
400 | 910 | In-house Moiety #29 | Type: V | aromatic_compound |
401 | 911 | In-house Moiety #30 | Type: V | naphthalene |
402 | 912 | In-house Moiety #31 | Type: V | cyclopentane |
403 | 913 | In-house Moiety #32 | Type: V | cyclohexane |
404 | 914 | In-house Moiety #33 | Type: V | isobutane |
405 | 915 | In-house Moiety #34 | Type: V | neopentane |
406 | 915 | Ring in Drug #1 | Ring in Drug #1 | |
407 | 916 | Ring in Drug #2 | Ring in Drug #2 | |
408 | 917 | Ring in Drug #3 | Ring in Drug #3 | |
409 | 918 | Ring in Drug #4 | Ring in Drug #4 | |
410 | 919 | Ring in Drug #5 | Ring in Drug #5 | |
411 | 920 | Ring in Drug #6 | Ring in Drug #6 | |
412 | 921 | Ring in Drug #7 | Ring in Drug #7 | |
413 | 922 | Ring in Drug #8 | Ring in Drug #8 | |
414 | 923 | Ring in Drug #9 | Ring in Drug #9 | |
415 | 924 | Ring in Drug #10 | Ring in Drug #10 | |
416 | 925 | Ring in Drug #11 | Ring in Drug #11 | |
417 | 926 | Ring in Drug #12 | Ring in Drug #12 | |
418 | 927 | Ring in Drug #13 | Ring in Drug #13 | |
419 | 928 | Ring in Drug #14 | Ring in Drug #14 | |
420 | 929 | Ring in Drug #15 | Ring in Drug #15 | |
421 | 930 | Ring in Drug #16 | Ring in Drug #16 | |
422 | 931 | Ring in Drug #17 | Ring in Drug #17 | |
423 | 932 | Ring in Drug #18 | Ring in Drug #18 | |
424 | 933 | Ring in Drug #19 | Ring in Drug #19 | |
425 | 934 | Ring in Drug #20 | Ring in Drug #20 | |
426 | 935 | Ring in Drug #21 | Ring in Drug #21 | |
427 | 936 | Ring in Drug #22 | Ring in Drug #22 | |
428 | 937 | Ring in Drug #23 | Ring in Drug #23 | |
429 | 938 | Ring in Drug #24 | Ring in Drug #24 | |
430 | 939 | Ring in Drug #25 | Ring in Drug #25 | |
431 | 940 | Ring in Drug #26 | Ring in Drug #26 | |
432 | 941 | Ring in Drug #27 | Ring in Drug #27 | |
433 | 942 | Ring in Drug #28 | Ring in Drug #28 | |
434 | 943 | Ring in Drug #29 | Ring in Drug #29 | |
435 | 944 | Ring in Drug #30 | Ring in Drug #30 | |
436 | 945 | Ring in Drug #31 | Ring in Drug #31 | |
437 | 946 | Ring in Drug #32 | Ring in Drug #32 | |
438 | 947 | Ring in Drug #33 | Ring in Drug #33 | |
439 | 948 | Ring in Drug #34 | Ring in Drug #34 | |
440 | 949 | Ring in Drug #35 | Ring in Drug #35 | |
441 | 950 | Ring in Drug #36 | Ring in Drug #36 | |
442 | 951 | Ring in Drug #37 | Ring in Drug #37 | |
443 | 952 | Ring in Drug #38 | Ring in Drug #38 | |
444 | 953 | Ring in Drug #39 | Ring in Drug #39 | |
445 | 954 | Ring in Drug #40 | Ring in Drug #40 | |
446 | 955 | Ring in Drug #41 | Ring in Drug #41 | |
447 | 956 | Ring in Drug #42 | Ring in Drug #42 | |
448 | 957 | Ring in Drug #43 | Ring in Drug #43 | |
449 | 958 | Ring in Drug #44 | Ring in Drug #44 | |
450 | 959 | Ring in Drug #45 | Ring in Drug #45 | |
451 | 960 | Ring in Drug #46 | Ring in Drug #46 | |
452 | 961 | Ring in Drug #47 | Ring in Drug #47 | |
453 | 962 | Ring in Drug #48 | Ring in Drug #48 | |
454 | 963 | Ring in Drug #49 | Ring in Drug #49 | |
455 | 964 | Ring in Drug #50 | Ring in Drug #50 | |
456 | 965 | Ring in Drug #51 | Ring in Drug #51 | |
457 | 966 | Ring in Drug #52 | Ring in Drug #52 | |
458 | 967 | Ring in Drug #53 | Ring in Drug #53 | |
459 | 968 | Ring in Drug #54 | Ring in Drug #54 | |
460 | 969 | Ring in Drug #55 | Ring in Drug #55 | |
461 | 970 | Ring in Drug #56 | Ring in Drug #56 | |
462 | 971 | Ring in Drug #57 | Ring in Drug #57 | |
463 | 972 | Ring in Drug #58 | Ring in Drug #58 | |
464 | 973 | Ring in Drug #59 | Ring in Drug #59 | |
465 | 974 | Ring in Drug #60 | Ring in Drug #60 | |
466 | 975 | Ring in Drug #61 | Ring in Drug #61 | |
467 | 976 | Ring in Drug #62 | Ring in Drug #62 | |
468 | 977 | Ring in Drug #63 | Ring in Drug #63 | |
469 | 978 | Ring in Drug #64 | Ring in Drug #64 | |
470 | 979 | Ring in Drug #65 | Ring in Drug #65 | |
471 | 980 | Ring in Drug #66 | Ring in Drug #66 | |
472 | 981 | Ring in Drug #67 | Ring in Drug #67 | |
473 | 982 | Ring in Drug #68 | Ring in Drug #68 | |
474 | 983 | Ring in Drug #69 | Ring in Drug #69 | |
475 | 984 | Ring in Drug #70 | Ring in Drug #70 | |
476 | 985 | Ring in Drug #71 | Ring in Drug #71 | |
477 | 986 | Ring in Drug #72 | Ring in Drug #72 | |
478 | 987 | Ring in Drug #73 | Ring in Drug #73 | |
479 | 988 | Ring in Drug #74 | Ring in Drug #74 | |
480 | 989 | Ring in Drug #75 | Ring in Drug #75 | |
481 | 990 | Ring in Drug #76 | Ring in Drug #76 | |
482 | 991 | Ring in Drug #77 | Ring in Drug #77 | |
483 | 992 | Ring in Drug #78 | Ring in Drug #78 | |
484 | 993 | Ring in Drug #79 | Ring in Drug #79 | |
485 | 994 | Ring in Drug #80 | Ring in Drug #80 | |
486 | 995 | Ring in Drug #81 | Ring in Drug #81 | |
487 | 996 | Ring in Drug #82 | Ring in Drug #82 | |
488 | 997 | Ring in Drug #83 | Ring in Drug #83 | |
489 | 998 | Ring in Drug #84 | Ring in Drug #84 | |
490 | 999 | Ring in Drug #85 | Ring in Drug #85 | |
491 | 1000 | Ring in Drug #86 | Ring in Drug #86 | |
492 | 1001 | Ring in Drug #87 | Ring in Drug #87 | |
493 | 1002 | Ring in Drug #88 | Ring in Drug #88 | |
494 | 1003 | Ring in Drug #89 | Ring in Drug #89 | |
495 | 1004 | Ring in Drug #90 | Ring in Drug #90 | |
496 | 1005 | Ring in Drug #91 | Ring in Drug #91 | |
497 | 1006 | Ring in Drug #92 | Ring in Drug #92 | |
498 | 1007 | Ring in Drug #93 | Ring in Drug #93 | |
499 | 1008 | Ring in Drug #94 | Ring in Drug #94 | |
500 | 1009 | Ring in Drug #95 | Ring in Drug #95 | |
501 | 1010 | Ring in Drug #96 | Ring in Drug #96 | |
502 | 1011 | Ring in Drug #97 | Ring in Drug #97 | |
503 | 1012 | Ring in Drug #98 | Ring in Drug #98 | |
504 | 1013 | Ring in Drug #99 | Ring in Drug #99 | |
505 | 1014 | Ring in Drug #100 | Ring in Drug #100 | |
506 | 1015 | Ring in Drug #101 | Ring in Drug #101 | |
507 | 1016 | Ring in Drug #102 | Ring in Drug #102 | |
508 | 1017 | Ring in Drug #103 | Ring in Drug #103 | |
509 | 1018 | Ring in Drug #104 | Ring in Drug #104 | |
510 | 1019 | Ring in Drug #105 | Ring in Drug #105 | |
511 | 1020 | Ring in Drug #106 | Ring in Drug #106 | |
512 | 1021 | Ring in Drug #107 | Ring in Drug #107 | |
513 | 1022 | Ring in Drug #108 | Ring in Drug #108 | |
514 | 1023 | Ring in Drug #109 | Ring in Drug #109 | |
515 | 1024 | Ring in Drug #110 | Ring in Drug #110 | |
516 | 1025 | Ring in Drug #111 | Ring in Drug #111 | |
517 | 1026 | Ring in Drug #112 | Ring in Drug #112 | |
518 | 1027 | Ring in Drug #113 | Ring in Drug #113 | |
519 | 1028 | Ring in Drug #114 | Ring in Drug #114 | |
520 | 1029 | Ring in Drug #115 | Ring in Drug #115 | |
521 | 1030 | Ring in Drug #116 | Ring in Drug #116 | |
522 | 1031 | Ring in Drug #117 | Ring in Drug #117 | |
523 | 1032 | Ring in Drug #118 | Ring in Drug #118 | |
524 | 1033 | Ring in Drug #119 | Ring in Drug #119 | |
525 | 1034 | Ring in Drug #120 | Ring in Drug #120 | |
526 | 1035 | Ring in Drug #121 | Ring in Drug #121 | |
527 | 1036 | Ring in Drug #122 | Ring in Drug #122 | |
528 | 1037 | Ring in Drug #123 | Ring in Drug #123 | |
529 | 1038 | Ring in Drug #124 | Ring in Drug #124 | |
530 | 1039 | Ring in Drug #125 | Ring in Drug #125 | |
531 | 1040 | Ring in Drug #126 | Ring in Drug #126 | |
532 | 1041 | Ring in Drug #127 | Ring in Drug #127 | |
533 | 1042 | Ring in Drug #128 | Ring in Drug #128 | |
534 | 1043 | Ring in Drug #129 | Ring in Drug #129 | |
535 | 1044 | Ring in Drug #130 | Ring in Drug #130 | |
536 | 1045 | Ring in Drug #131 | Ring in Drug #131 | |
537 | 1046 | Ring in Drug #132 | Ring in Drug #132 | |
538 | 1047 | Ring in Drug #133 | Ring in Drug #133 | |
539 | 1048 | Ring in Drug #134 | Ring in Drug #134 | |
540 | 1049 | Ring in Drug #135 | Ring in Drug #135 | |
541 | 1050 | Ring in Drug #136 | Ring in Drug #136 | |
542 | 1051 | Ring in Drug #137 | Ring in Drug #137 | |
543 | 1052 | Ring in Drug #138 | Ring in Drug #138 | |
544 | 1053 | Ring in Drug #139 | Ring in Drug #139 | |
545 | 1054 | Ring in Drug #140 | Ring in Drug #140 | |
546 | 1055 | Ring in Drug #141 | Ring in Drug #141 | |
547 | 1056 | Ring in Drug #142 | Ring in Drug #142 | |
548 | 1057 | Ring in Drug #143 | Ring in Drug #143 | |
549 | 1058 | Ring in Drug #144 | Ring in Drug #144 | |
550 | 1059 | Ring in Drug #145 | Ring in Drug #145 | |
551 | 1060 | Ring in Drug #146 | Ring in Drug #146 | |
552 | 1061 | Ring in Drug #147 | Ring in Drug #147 |