Upload BigSMILES vocab
Browse files- bigsmiles-proto/vocab.json +806 -0
bigsmiles-proto/vocab.json
ADDED
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@@ -0,0 +1,806 @@
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| 1 |
+
{
|
| 2 |
+
"<s>": 0,
|
| 3 |
+
"</s>": 1,
|
| 4 |
+
"<pad>": 2,
|
| 5 |
+
"<unk>": 3,
|
| 6 |
+
"<mask>": 4,
|
| 7 |
+
"c1ccc(C(": 5,
|
| 8 |
+
"c3ccccc3": 6,
|
| 9 |
+
")C(F)(F)": 7,
|
| 10 |
+
"C(F)(F)F": 8,
|
| 11 |
+
"cc(NC(=O": 9,
|
| 12 |
+
"(=O)c3cc": 10,
|
| 13 |
+
"cc(Oc2cc": 11,
|
| 14 |
+
"(C(F)(F)": 12,
|
| 15 |
+
"C(=O)c1c": 13,
|
| 16 |
+
")C(=O)N(": 14,
|
| 17 |
+
"F)C(F)(F": 15,
|
| 18 |
+
"c3)cc2)c": 16,
|
| 19 |
+
"(F)(F)F)": 17,
|
| 20 |
+
"=O)c1ccc": 18,
|
| 21 |
+
"ccc(Oc2c": 19,
|
| 22 |
+
"ccc(NC(=": 20,
|
| 23 |
+
"*Nc1ccc(": 21,
|
| 24 |
+
"CCCCCCCC": 22,
|
| 25 |
+
"3)cc2)cc": 23,
|
| 26 |
+
"(F)(F)C(": 24,
|
| 27 |
+
"cc3)cc2)": 25,
|
| 28 |
+
"C(=O)c2c": 26,
|
| 29 |
+
"c2ccccc2": 27,
|
| 30 |
+
"(NC(=O)c": 28,
|
| 31 |
+
"cc(C(=O)": 29,
|
| 32 |
+
"(=O)c4cc": 30,
|
| 33 |
+
"C(=O)OCC": 31,
|
| 34 |
+
")C(=O)OC": 32,
|
| 35 |
+
"=O)c2ccc": 33,
|
| 36 |
+
"c(Oc2ccc": 34,
|
| 37 |
+
"=O)N(*)C": 35,
|
| 38 |
+
"*Oc1ccc(": 36,
|
| 39 |
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| 40 |
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|
| 41 |
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| 42 |
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| 43 |
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| 44 |
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| 45 |
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| 46 |
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|
| 47 |
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| 48 |
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| 49 |
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| 50 |
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|
| 51 |
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"F)(F)F)c": 49,
|
| 52 |
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| 53 |
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"CCOC(=O)": 51,
|
| 54 |
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")cc4)cc3": 52,
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| 55 |
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| 56 |
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| 57 |
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|
| 58 |
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| 59 |
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| 61 |
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| 62 |
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| 63 |
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"O)N(*)C": 61,
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| 64 |
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| 65 |
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| 66 |
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"F)(F)C(": 64,
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| 67 |
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"ccc(NC(": 65,
|
| 68 |
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"C(=O)Nc": 66,
|
| 69 |
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"c1ccc(O": 67,
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| 70 |
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"C(=O)c1": 68,
|
| 71 |
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"ccc(Oc2": 69,
|
| 72 |
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"c3ccccc": 70,
|
| 73 |
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")cc3)cc": 71,
|
| 74 |
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"O)c1ccc": 72,
|
| 75 |
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|
| 76 |
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|
| 77 |
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"cc(*)cc": 75,
|
| 78 |
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"c2ccc(O": 76,
|
| 79 |
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|
| 80 |
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"(F)(F)C": 78,
|
| 81 |
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|
| 82 |
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|
| 83 |
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| 84 |
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|
| 85 |
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"COC(=O)": 83,
|
| 86 |
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"(=O)c2c": 84,
|
| 87 |
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"*Nc1ccc": 85,
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| 88 |
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"c4)cc3)": 86,
|
| 89 |
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"O)c2ccc": 87,
|
| 90 |
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|
| 91 |
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|
| 92 |
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| 93 |
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")c2ccc(": 91,
|
| 94 |
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"F)C(F)(": 92,
|
| 95 |
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"c(C(=O)": 93,
|
| 96 |
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"OC(=O)c": 94,
|
| 97 |
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")(F)F)c": 95,
|
| 98 |
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| 99 |
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| 100 |
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| 101 |
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|
| 102 |
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|
| 103 |
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| 104 |
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| 105 |
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"C(=O)N(": 103,
|
| 106 |
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")cc4)cc": 104,
|
| 107 |
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| 108 |
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| 109 |
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"(C(F)(F": 107,
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| 111 |
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|
| 112 |
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"CCCCCCC": 110,
|
| 113 |
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"cc2)cc1": 111,
|
| 114 |
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"cc(C(=O": 112,
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| 115 |
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"=O)c3cc": 113,
|
| 116 |
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| 117 |
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| 118 |
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| 119 |
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| 120 |
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"OCCCCCC": 118,
|
| 121 |
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"C(=O)CC": 119,
|
| 122 |
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| 123 |
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"c3)cc2)": 121,
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| 124 |
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| 125 |
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|
| 126 |
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"(=O)N(*": 124,
|
| 127 |
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|
| 128 |
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"c(-c3cc": 126,
|
| 129 |
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|
| 130 |
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"c(NC(=O": 128,
|
| 131 |
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| 132 |
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|
| 133 |
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| 134 |
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")C(=O)O": 132,
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| 135 |
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")C(=O)N": 133,
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| 136 |
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"(=O)c4c": 134,
|
| 137 |
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"=O)c1cc": 135,
|
| 138 |
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"(NC(=O)": 136,
|
| 139 |
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"CCCCCCO": 137,
|
| 140 |
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"Nc1ccc(": 138,
|
| 141 |
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"Oc2ccc(": 139,
|
| 142 |
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")C(F)(F": 140,
|
| 143 |
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| 144 |
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")cc2)cc": 142,
|
| 145 |
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"CCCCCC": 143,
|
| 146 |
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|
| 147 |
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|
| 148 |
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")c4ccc": 146,
|
| 149 |
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")c3ccc": 147,
|
| 150 |
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|
| 151 |
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|
| 152 |
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"ccc(-c": 150,
|
| 153 |
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"(=O)CC": 151,
|
| 154 |
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|
| 155 |
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")(F)C(": 153,
|
| 156 |
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|
| 157 |
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"c(NC(=": 155,
|
| 158 |
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"(OC(=O": 156,
|
| 159 |
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|
| 160 |
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"=O)c3c": 158,
|
| 161 |
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"(*)=O)": 159,
|
| 162 |
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"CCCCCO": 160,
|
| 163 |
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"cc(*)c": 161,
|
| 164 |
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")cc3)c": 162,
|
| 165 |
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"(C)(C)": 163,
|
| 166 |
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")c2ccc": 164,
|
| 167 |
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"ccc(*)": 165,
|
| 168 |
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"(=O)c2": 166,
|
| 169 |
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"c(Oc2c": 167,
|
| 170 |
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"CCOC(=": 168,
|
| 171 |
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"c2ccc(": 169,
|
| 172 |
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"(F)(F)": 170,
|
| 173 |
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"c4)cc3": 171,
|
| 174 |
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"(=O)N(": 172,
|
| 175 |
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"c1ccc(": 173,
|
| 176 |
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"ccc(OC": 174,
|
| 177 |
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"3)cc2)": 175,
|
| 178 |
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"Nc1ccc": 176,
|
| 179 |
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"c2cccc": 177,
|
| 180 |
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")N(*)C": 178,
|
| 181 |
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"=O)OCC": 179,
|
| 182 |
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"C(*)=O": 180,
|
| 183 |
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"c2)cc1": 181,
|
| 184 |
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"c1ccc2": 182,
|
| 185 |
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"ccccc1": 183,
|
| 186 |
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"2ccc(N": 184,
|
| 187 |
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"c1cccc": 185,
|
| 188 |
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"*CC(*)": 186,
|
| 189 |
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"O)c3cc": 187,
|
| 190 |
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"Oc3ccc": 188,
|
| 191 |
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"CC(=O)": 189,
|
| 192 |
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"(C(=O)": 190,
|
| 193 |
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"c5ccc(": 191,
|
| 194 |
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"O)c2cc": 192,
|
| 195 |
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"F)C(F)": 193,
|
| 196 |
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"NC(=O)": 194,
|
| 197 |
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"C(=O)O": 195,
|
| 198 |
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"-c2ccc": 196,
|
| 199 |
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"(C(F)(": 197,
|
| 200 |
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|
| 201 |
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")cc4)c": 199,
|
| 202 |
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|
| 203 |
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"OCCCCC": 201,
|
| 204 |
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|
| 205 |
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"ccc(Oc": 203,
|
| 206 |
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|
| 207 |
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"*Nc1cc": 205,
|
| 208 |
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"C(=O)C": 206,
|
| 209 |
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"O)N(*)": 207,
|
| 210 |
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"(F)F)c": 208,
|
| 211 |
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|
| 212 |
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|
| 213 |
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"c3)cc2": 211,
|
| 214 |
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"*)=O)c": 212,
|
| 215 |
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|
| 216 |
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"(=O)c4": 214,
|
| 217 |
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"ccc(C(": 215,
|
| 218 |
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"3ccccc": 216,
|
| 219 |
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")C(=O)": 217,
|
| 220 |
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"*Oc1cc": 218,
|
| 221 |
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"ccc(NC": 219,
|
| 222 |
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"C(F)(F": 220,
|
| 223 |
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"O)c1cc": 221,
|
| 224 |
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"cc(C(=": 222,
|
| 225 |
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"2ccccc": 223,
|
| 226 |
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"(NC(=O": 224,
|
| 227 |
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"c(*)cc": 225,
|
| 228 |
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"=O)N(*": 226,
|
| 229 |
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"=O)c1c": 227,
|
| 230 |
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"c3ccc(": 228,
|
| 231 |
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"O)c4cc": 229,
|
| 232 |
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"Oc2ccc": 230,
|
| 233 |
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"(=O)c3": 231,
|
| 234 |
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"C(=O)c": 232,
|
| 235 |
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"1ccc(C": 233,
|
| 236 |
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"cc(NC(": 234,
|
| 237 |
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"(=O)c1": 235,
|
| 238 |
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"(=O)OC": 236,
|
| 239 |
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"ccccc2": 237,
|
| 240 |
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"cc2)cc": 238,
|
| 241 |
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"(-c2cc": 239,
|
| 242 |
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"=O)c2c": 240,
|
| 243 |
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"c(N*)c": 241,
|
| 244 |
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"Oc1ccc": 242,
|
| 245 |
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"=O)c4c": 243,
|
| 246 |
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")(F)F)": 244,
|
| 247 |
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"cc3)cc": 245,
|
| 248 |
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"(Oc2cc": 246,
|
| 249 |
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"OC(=O)": 247,
|
| 250 |
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"1ccc(O": 248,
|
| 251 |
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"cc(Oc2": 249,
|
| 252 |
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"(C(C)(": 250,
|
| 253 |
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"C(C)(C": 251,
|
| 254 |
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"F)(F)F": 252,
|
| 255 |
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"*c1ccc": 253,
|
| 256 |
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"c(C(=O": 254,
|
| 257 |
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"4)cc3)": 255,
|
| 258 |
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"F)(F)C": 256,
|
| 259 |
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"-c3ccc": 257,
|
| 260 |
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"COC(=O": 258,
|
| 261 |
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")cc2)c": 259,
|
| 262 |
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"ccccc3": 260,
|
| 263 |
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"c(C(C)": 261,
|
| 264 |
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")CCCCC": 262,
|
| 265 |
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"(=O)Nc": 263,
|
| 266 |
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"2ccc(": 264,
|
| 267 |
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"(-c2c": 265,
|
| 268 |
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"O)OCC": 266,
|
| 269 |
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"-c3cc": 267,
|
| 270 |
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"=O)CC": 268,
|
| 271 |
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"CC(*)": 269,
|
| 272 |
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"(C(=O": 270,
|
| 273 |
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"CCCC)": 271,
|
| 274 |
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"cc(*)": 272,
|
| 275 |
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"c4ccc": 273,
|
| 276 |
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"1cccc": 274,
|
| 277 |
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"cc4)c": 275,
|
| 278 |
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"(*)(C": 276,
|
| 279 |
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"C(=O)": 277,
|
| 280 |
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"ccc(-": 278,
|
| 281 |
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")cc2)": 279,
|
| 282 |
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"O)c2c": 280,
|
| 283 |
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"*Nc1c": 281,
|
| 284 |
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"F)F)c": 282,
|
| 285 |
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"CCCCC": 283,
|
| 286 |
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"O)c1c": 284,
|
| 287 |
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"cccc3": 285,
|
| 288 |
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"cc(-c": 286,
|
| 289 |
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")C(=O": 287,
|
| 290 |
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"2)cc1": 288,
|
| 291 |
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")cc3)": 289,
|
| 292 |
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"Oc1cc": 290,
|
| 293 |
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"=O)OC": 291,
|
| 294 |
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"(Oc2c": 292,
|
| 295 |
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"OC(=O": 293,
|
| 296 |
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"2cccc": 294,
|
| 297 |
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")c3cc": 295,
|
| 298 |
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"C(F)(": 296,
|
| 299 |
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"*CCCC": 297,
|
| 300 |
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"=O)c4": 298,
|
| 301 |
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"cc(OC": 299,
|
| 302 |
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"-c2cc": 300,
|
| 303 |
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"N(*)C": 301,
|
| 304 |
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"*)=O)": 302,
|
| 305 |
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"(NC(=": 303,
|
| 306 |
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"ccc(N": 304,
|
| 307 |
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"COC(=": 305,
|
| 308 |
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"=O)N(": 306,
|
| 309 |
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")CCCC": 307,
|
| 310 |
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"c3ccc": 308,
|
| 311 |
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"(=O)(": 309,
|
| 312 |
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"c(N*)": 310,
|
| 313 |
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"=O)c3": 311,
|
| 314 |
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"C(*)(": 312,
|
| 315 |
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"cc5)c": 313,
|
| 316 |
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")c4cc": 314,
|
| 317 |
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"c(C(=": 315,
|
| 318 |
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"[Si](": 316,
|
| 319 |
+
"Nc1cc": 317,
|
| 320 |
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"=O)c5": 318,
|
| 321 |
+
")c2cc": 319,
|
| 322 |
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"ccc(C": 320,
|
| 323 |
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"O)N(*": 321,
|
| 324 |
+
"C(*)=": 322,
|
| 325 |
+
"(=O)C": 323,
|
| 326 |
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"c6ccc": 324,
|
| 327 |
+
"=O)c1": 325,
|
| 328 |
+
")=O)c": 326,
|
| 329 |
+
"CCOC(": 327,
|
| 330 |
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"c(*)c": 328,
|
| 331 |
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"=O)Nc": 329,
|
| 332 |
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"=O)c2": 330,
|
| 333 |
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"F)(F)": 331,
|
| 334 |
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"cccc2": 332,
|
| 335 |
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"c(-c3": 333,
|
| 336 |
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")(F)C": 334,
|
| 337 |
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"*c1cc": 335,
|
| 338 |
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"c(C(C": 336,
|
| 339 |
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"(F)C(": 337,
|
| 340 |
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"C)(C)": 338,
|
| 341 |
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"cc(NC": 339,
|
| 342 |
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"c3)cc": 340,
|
| 343 |
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"*Oc1c": 341,
|
| 344 |
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"ccc(O": 342,
|
| 345 |
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"c4)cc": 343,
|
| 346 |
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"c(NC(": 344,
|
| 347 |
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")C(F)": 345,
|
| 348 |
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"CC(=O": 346,
|
| 349 |
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"(C(F)": 347,
|
| 350 |
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"Oc2cc": 348,
|
| 351 |
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"*CC(*": 349,
|
| 352 |
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"c(OC(": 350,
|
| 353 |
+
"(=O)N": 351,
|
| 354 |
+
"(F)F)": 352,
|
| 355 |
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"ccc2c": 353,
|
| 356 |
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"c(C)c": 354,
|
| 357 |
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"3)cc2": 355,
|
| 358 |
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"c2ccc": 356,
|
| 359 |
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"1ccc(": 357,
|
| 360 |
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"c1ccc": 358,
|
| 361 |
+
"c(Oc2": 359,
|
| 362 |
+
"(OC(=": 360,
|
| 363 |
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"cccc1": 361,
|
| 364 |
+
"3ccc(": 362,
|
| 365 |
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"3cccc": 363,
|
| 366 |
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")c1cc": 364,
|
| 367 |
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"O)c3c": 365,
|
| 368 |
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"c(-c2": 366,
|
| 369 |
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"(=O)O": 367,
|
| 370 |
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")c5cc": 368,
|
| 371 |
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"1ccc2": 369,
|
| 372 |
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"cc(Oc": 370,
|
| 373 |
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")N(*)": 371,
|
| 374 |
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")cc4)": 372,
|
| 375 |
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"4)cc3": 373,
|
| 376 |
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"CCC)c": 374,
|
| 377 |
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"F)C(F": 375,
|
| 378 |
+
"ccccc": 376,
|
| 379 |
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")(C)C": 377,
|
| 380 |
+
"5ccc(": 378,
|
| 381 |
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"(=O)c": 379,
|
| 382 |
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"C(C)(": 380,
|
| 383 |
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"cccc(": 381,
|
| 384 |
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"c2)cc": 382,
|
| 385 |
+
"NC(=O": 383,
|
| 386 |
+
"Oc3cc": 384,
|
| 387 |
+
"CCCC(": 385,
|
| 388 |
+
")cc5)": 386,
|
| 389 |
+
"4ccc(": 387,
|
| 390 |
+
"CCCCO": 388,
|
| 391 |
+
"O)c4c": 389,
|
| 392 |
+
"(F)(F": 390,
|
| 393 |
+
"cc2)c": 391,
|
| 394 |
+
"c5ccc": 392,
|
| 395 |
+
"(-c3c": 393,
|
| 396 |
+
"(C(C)": 394,
|
| 397 |
+
"(*)=O": 395,
|
| 398 |
+
"(C)(C": 396,
|
| 399 |
+
"cc3)c": 397,
|
| 400 |
+
"=O)cc": 398,
|
| 401 |
+
"(N*)c": 399,
|
| 402 |
+
")(F)F": 400,
|
| 403 |
+
"ccc(*": 401,
|
| 404 |
+
"(*)cc": 402,
|
| 405 |
+
"OCCCC": 403,
|
| 406 |
+
"cc(C(": 404,
|
| 407 |
+
")ccc": 405,
|
| 408 |
+
"Nc1c": 406,
|
| 409 |
+
"(OC(": 407,
|
| 410 |
+
"O)c1": 408,
|
| 411 |
+
"c6cc": 409,
|
| 412 |
+
"(C)c": 410,
|
| 413 |
+
"cc3)": 411,
|
| 414 |
+
"[Si]": 412,
|
| 415 |
+
"(N*)": 413,
|
| 416 |
+
"2)cc": 414,
|
| 417 |
+
"(Oc2": 415,
|
| 418 |
+
"1ccc": 416,
|
| 419 |
+
")c5c": 417,
|
| 420 |
+
"c2cc": 418,
|
| 421 |
+
"N*)c": 419,
|
| 422 |
+
"cccc": 420,
|
| 423 |
+
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