diff --git "a/tokenizer.json" "b/tokenizer.json" new file mode 100644--- /dev/null +++ "b/tokenizer.json" @@ -0,0 +1,2834 @@ +{ + "version": "1.0", + "truncation": null, + "padding": null, + "added_tokens": [ + { + "id": 0, + "content": "[START]", + "single_word": false, + "lstrip": false, + "rstrip": false, + "normalized": false, + "special": true + }, + { + "id": 1, + "content": "[END]", + "single_word": false, + "lstrip": false, + "rstrip": false, + "normalized": false, + "special": true + }, + { + "id": 2, + "content": "[PAD]", + "single_word": false, + "lstrip": false, + "rstrip": false, + "normalized": false, + "special": true + }, + { + "id": 3, + "content": "[UNK]", + "single_word": false, + "lstrip": false, + "rstrip": false, + "normalized": false, + "special": true + }, + { + "id": 4, + "content": "[CLS]", + "single_word": false, + "lstrip": false, + "rstrip": false, + "normalized": false, + "special": true + }, + { + "id": 5, + "content": "[SEP]", + "single_word": false, + "lstrip": false, + "rstrip": false, + "normalized": false, + "special": true + }, + { + "id": 6, + "content": "[MASK]", + "single_word": false, + "lstrip": false, + "rstrip": false, + "normalized": false, + "special": true + }, + { + "id": 7, + "content": "[REG]", + "single_word": false, + "lstrip": false, + "rstrip": false, + "normalized": false, + "special": true + } + ], + "normalizer": null, + "pre_tokenizer": { + "type": "Split", + "pattern": { + "Regex": ".*?]" + }, + "behavior": "Isolated", + "invert": false + }, + "post_processor": { + "type": "TemplateProcessing", + "single": [ + { + "SpecialToken": { + "id": "[CLS]", + "type_id": 0 + } + }, + { + "Sequence": { + "id": "A", + "type_id": 0 + } + }, + { + "SpecialToken": { + "id": "[SEP]", + "type_id": 0 + } + } + ], + "pair": [ + { + "SpecialToken": { + "id": "[CLS]", + "type_id": 0 + } + }, + { + "Sequence": { + "id": "A", + "type_id": 0 + } + }, + { + "SpecialToken": { + "id": "[SEP]", + "type_id": 0 + } + }, + { + "Sequence": { + "id": "B", + "type_id": 1 + } + }, + { + "SpecialToken": { + "id": "[SEP]", + "type_id": 1 + } + } + ], + "special_tokens": { + "[CLS]": { + "id": "[CLS]", + "ids": [ + 4 + ], + "tokens": [ + "[CLS]" + ] + }, + "[SEP]": { + "id": "[SEP]", + "ids": [ + 5 + ], + "tokens": [ + "[SEP]" + ] + } + } + }, + "decoder": { + "type": "WordPiece", + "prefix": "##", + "cleanup": true + }, + "model": { + "type": "WordLevel", + "vocab": { + "[Cl]": 0, + "[Dy]": 1, + "[=S]": 2, + "[Branch1]": 3, + "[P]": 4, + "[=O]": 5, + "[Branch2]": 6, + "[=C]": 7, + "[#Branch1]": 8, + "[Ring2]": 9, + "[N+1]": 10, + "[B]": 11, + "[#C]": 12, + "[/C]": 13, + "[/Br]": 14, + "[Si]": 15, + "[S]": 16, + "[C@H1]": 17, + "[F]": 18, + "[C]": 19, + "[=Branch2]": 20, + "[C@]": 21, + "[N]": 22, + "[O]": 23, + "[Ring1]": 24, + "[#Branch2]": 25, + "[NH1]": 26, + "[O-1]": 27, + "[=Branch1]": 28, + "[=Ring2]": 29, + "[C@@H1]": 30, + "[#N]": 31, + "[Br]": 32, + "[C@@]": 33, + "[=Ring1]": 34, + "[=N]": 35, + "[C][C]": 36, + "[C][=C]": 37, + "[=N][C]": 38, + "[=Branch1][C]": 39, + "[=Branch1][C][=O]": 40, + "[N][C]": 41, + "[=Branch1][C][=O][N]": 42, + "[N][C][=N][C]": 43, + "[=N][Ring2]": 44, + "[Branch2][Ring1]": 45, + "[Branch1][C]": 46, + "[N][C][C]": 47, + "[C][=C][C][=C]": 48, + "[=Branch1][C][=O][N][Dy]": 49, + "[Branch1][C][C]": 50, + "[=N][Ring2][Ring1]": 51, + "[C][=Branch1][C][=O][N][Dy]": 52, + "[C][=C][Ring1]": 53, + "[=N][C][Branch2][Ring1]": 54, + "[C][=C][C]": 55, + "[O][C]": 56, + "[=C][Ring1]": 57, + "[N][C][=N][C][Branch1]": 58, + "[Branch1][#Branch1]": 59, + "[N][C][=N][C][Branch2][Ring1]": 60, + "[=N][C][Branch1]": 61, + "[Ring2][Ring2]": 62, + "[Branch1][C][F]": 63, + "[Branch1][#Branch1][C][=Branch1][C][=O][N][Dy]": 64, + "[N][C][=C][C][=C]": 65, + "[Branch2][Ring2]": 66, + "[=C][C]": 67, + "[Branch2][Branch1]": 68, + "[O][C][C]": 69, + "[Ring1][=Branch1]": 70, + "[Branch1][C][Cl]": 71, + "[C][O]": 72, + "[Branch1][Ring1]": 73, + "[Ring1][#Branch1]": 74, + "[C][C][C]": 75, + "[N][C][C][=C]": 76, + "[N][=C]": 77, + "[Ring1][Branch1]": 78, + "[N][C][=C][C]": 79, + "[N][C][=C]": 80, + "[C][C][=C]": 81, + "[Branch1][C][C][Branch1][C][C]": 82, + "[N][=C][Ring1]": 83, + "[=N][Ring2][Ring2]": 84, + "[Branch1][C][Br]": 85, + "[N][C][=N]": 86, + "[C][=C][Ring1][#Branch1]": 87, + "[Branch1][=Branch2]": 88, + "[C][=C][Ring2][Ring2]": 89, + "[=C][Ring2][Ring2]": 90, + "[Ring1][Branch2]": 91, + "[C][O][C]": 92, + "[N][C][C][C]": 93, + "[Branch1][C][C][C]": 94, + "[C][=C][Ring1][=Branch1]": 95, + "[C][O][C][=C][C][=C]": 96, + "[C][C][=Branch1][C][=O][N][Dy]": 97, + "[#C][C]": 98, + "[S][C]": 99, + "[N][C][C][C][C]": 100, + "[C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1]": 101, + "[N][C][=N][C][Branch1][S]": 102, + "[N][C][=N][C][Branch2][Ring1][C]": 103, + "[N][C][=C][C][=C][C]": 104, + "[Ring1][=Branch2]": 105, + "[Ring1][#Branch2]": 106, + "[Branch1][Branch2]": 107, + "[C][=C][Ring1][#Branch2]": 108, + "[O][C][Branch1][C][C][Branch1][C][C]": 109, + "[C][#C][C]": 110, + "[C][C][=C][C]": 111, + "[Branch1][C][F][F]": 112, + "[=N][C][Branch1][=C]": 113, + "[C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy]": 114, + "[=N][C][Branch2][Ring1][=Branch1]": 115, + "[N][C][=N][C][Branch2][Ring1][Ring2]": 116, + "[=N][Ring2][Ring1][#Branch2]": 117, + "[=N][Ring2][Ring1][O]": 118, + "[C][C][=C][C][=C]": 119, + "[N][C][=N][C][Branch1][=C]": 120, + "[N][C][=N][C][Branch2][Ring1][Ring1]": 121, + "[Branch1][Ring1][O][C][C]": 122, + "[=N][C][Branch2][Ring1][Ring1]": 123, + "[C][=C][Ring1][Branch2]": 124, + "[=N][C][Branch2][Ring1][Ring2]": 125, + "[N][C][=N][C][Branch1][#C]": 126, + "[C][O][C][=Branch1][C][=O]": 127, + "[N][C][=N][C][Branch1][P]": 128, + "[N][C][C][=C][C][=C]": 129, + "[Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C]": 130, + "[=C][Ring1][#Branch2]": 131, + "[N][C][C][=N]": 132, + "[=N][C][Branch2][Ring1][C]": 133, + "[Ring1][=Branch1][C]": 134, + "[NH1][C]": 135, + "[N][C][=N][C][Branch1][=N]": 136, + "[=N][Ring2][Ring1][=Branch2]": 137, + "[=C][Ring1][O]": 138, + "[C][=C][C][=C][C][=C][Ring1][=Branch1]": 139, + "[=N][C][Branch1][P]": 140, + "[=N][Ring2][Ring1][=C]": 141, + "[N+1][=Branch1][C][=O]": 142, + "[N+1][=Branch1][C][=O][O-1]": 143, + "[Branch1][Ring1][O]": 144, + "[=N][C][Branch1][#C]": 145, + "[C][Branch1][C][F]": 146, + "[=N][N]": 147, + "[=N][C][Branch1][S]": 148, + "[N][C][=Branch1][C][=O]": 149, + "[Branch1][#Branch2]": 150, + "[=C][Ring1][Branch2]": 151, + "[Branch1][=Branch1]": 152, + "[S][=Branch1][C][=O]": 153, + "[C][#N]": 154, + "[=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C]": 155, + "[=N][Ring2][Ring1][#C]": 156, + "[Branch1][Ring2]": 157, + "[C][=C][C][C]": 158, + "[N][C][=Branch1][C][=O][N][Dy]": 159, + "[C][=C][Ring1][O]": 160, + "[C][C][C][C]": 161, + "[C@H1][Branch2][Ring2]": 162, + "[N][C][=N][C][=C]": 163, + "[=Ring1][Branch1]": 164, + "[=N][Ring2][Ring1][Branch2]": 165, + "[N][C][C][O][C][C]": 166, + "[C][=C][C][=C][Ring1][=Branch1]": 167, + "[=N][C][Branch2][Ring1][Branch1]": 168, + "[Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy]": 169, + "[=N][C][Branch2][Ring1][#Branch1]": 170, + "[=N][C][Branch1][=N]": 171, + "[Ring1][N]": 172, + "[=N][Ring2][Ring1][=N]": 173, + "[S][Branch1][C][C]": 174, + "[Ring2][Ring1]": 175, + "[N][=C][Ring1][=Branch1]": 176, + "[N][C][=N][C][Branch2][Ring1][C][N][C][C]": 177, + "[N][C][=N][C][Branch2][Ring1][Branch1]": 178, + "[=N][Ring1][#Branch1]": 179, + "[=N][C][Branch2][Ring1][=Branch1][N][C][=C]": 180, + "[Ring1][O]": 181, + "[Branch1][Ring1][C][#N]": 182, + "[=Branch1][C][=O][=O]": 183, + "[O][C][=Branch1][C][=O]": 184, + "[C][O][C][=C][C]": 185, + "[=N][Ring2][Ring1][S]": 186, + "[Branch1][C][C][=C]": 187, + "[Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring2][Ring2]": 188, + "[N][Branch1]": 189, + "[N][C][=C][N][=C]": 190, + "[N][C][=N][C][Branch1][O]": 191, + "[=C][Ring1][#Branch1]": 192, + "[N][Branch1][C][C]": 193, + "[C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C]": 194, + "[=N][C][=C]": 195, + "[N][C][C][=C][C]": 196, + "[=N][Ring1][Branch2]": 197, + "[S][=Branch1][C][=O][=Branch1][C][=O]": 198, + "[C][Branch1][C][F][Branch1][C][F][F]": 199, + "[N][=C][C]": 200, + "[=N][Ring2][Ring1][P]": 201, + "[Branch1][C][C][C][=C]": 202, + "[C][C][C][Ring1]": 203, + "[=Branch1][Ring2]": 204, + "[=C][C][=C][Ring1][#Branch2]": 205, + "[S][Branch1][C][C][=Branch1][C][=O][=O]": 206, + "[N][C][=N][C][Branch1][#Branch2]": 207, + "[N][=C][Ring1][#Branch1]": 208, + "[=N][Ring2][Ring1][#Branch1]": 209, + "[Branch1][=Branch1][N+1][=Branch1][C][=O][O-1]": 210, + "[Branch2][Branch1][Ring1]": 211, + "[Branch1][C][N]": 212, + "[Branch1][C][F][C]": 213, + "[C][=C][Ring1][=Branch1][C]": 214, + "[N][C][Branch1]": 215, + "[N][C][=N][C][Branch2][Ring1][=Branch1]": 216, + "[C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1]": 217, + "[O][C][C][=C]": 218, + "[C][#C][C][C@@H1]": 219, + "[Branch2][Ring2][P]": 220, + "[Branch2][Branch1][Ring2]": 221, + "[=N][Ring2][Ring1][=N][C]": 222, + "[=N][C][=C][Ring1][=Branch1]": 223, + "[C][=Branch1][C][=O][N][Dy][C][=C][Ring2][Ring2]": 224, + "[Ring1][Branch1][C]": 225, + "[=Branch1][C][=O][N][C][C]": 226, + "[=N][Ring1][#Branch2]": 227, + "[=N][C][Branch2][Ring1][Branch2]": 228, + "[N][C][C][O][C][C][Ring1][=Branch1]": 229, + "[Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F]": 230, + "[Branch1][C][Br][=C]": 231, + "[Branch1][C][Cl][C][=C][Ring1][#Branch1]": 232, + "[=Branch1][Ring2][=C][Ring1]": 233, + "[=C][Ring1][N]": 234, + "[C][=C][C][=C][C]": 235, + "[C][O][C][=C][C][=C][C]": 236, + "[C][C][O]": 237, + "[=N][C][Branch1][O]": 238, + "[N][Branch1][=C][C]": 239, + "[Branch1][C][Cl][=C]": 240, + "[=C][Ring1][=Branch2]": 241, + "[=N][Ring2][Ring1][N]": 242, + "[Branch2][Branch1][C]": 243, + "[C][C][Branch1][C][C][Branch1][C][C]": 244, + "[Branch2][Branch1][#Branch1]": 245, + "[=N][C][Branch2][Ring1][=Branch2]": 246, + "[=N][Ring2][Ring1][N][C][=Branch1][C][=O][N][Dy]": 247, + "[N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C]": 248, + "[Branch2][=Branch1]": 249, + "[Branch1][C][O][C]": 250, + "[N][C][=N][C][Branch1][#C][N][C][C]": 251, + "[=N][Ring2][Ring2][Ring1]": 252, + "[Branch2][Ring2][S]": 253, + "[N][C][=N][C][Branch1][P][N][C][C]": 254, + "[Branch2][Branch1][Branch1]": 255, + "[=Branch1][C][=O][NH1]": 256, + "[O][C][=C][C][=C]": 257, + "[Branch2][Branch1][Branch2]": 258, + "[Branch1][=Branch1][C]": 259, + "[N][C][C@@H1]": 260, + "[C][=Branch1][C][=O]": 261, + "[Branch2][Ring2][#C]": 262, + "[Branch1][C][Cl][C]": 263, + "[N][C][=N][C][Branch2][Ring1][Branch2]": 264, + "[=N][C][Branch1][N]": 265, + "[=N][Ring2][Ring1][O][C][=Branch1][C][=O][N][Dy]": 266, + "[C][O][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C]": 267, + "[N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C]": 268, + "[=N][Ring2][Ring1][=N][C][=Branch1][C][=O][N][Dy]": 269, + "[C][C][O][C][=Branch1][C][=O]": 270, + "[N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1]": 271, + "[Branch2][Branch1][=Branch2]": 272, + "[Branch1][C][O]": 273, + "[=N][C][Branch2][Ring1][#Branch2]": 274, + "[=N][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy]": 275, + "[Branch2][Ring2][=C]": 276, + "[Branch1][C][F][C][=C][Ring1][#Branch1]": 277, + "[Branch2][Branch1][=Branch1]": 278, + "[Branch1][C][C][C][=Ring1]": 279, + "[N][C@@H1]": 280, + "[C][#C][C][C@H1]": 281, + "[C][C][Ring1][#Branch1]": 282, + "[O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]": 283, + "[C][=C][C][=C][Ring1][=Branch1][C]": 284, + "[=N][O]": 285, + "[=Ring1][Branch1][C]": 286, + "[C][=C][C][=C][Ring1][#Branch1]": 287, + "[C][C][Branch1][C][C]": 288, + "[N][C][C][Branch1][C][C]": 289, + "[Ring1][Branch1][C][C]": 290, + "[Branch1][C][C][C][=C][Ring1][#Branch1]": 291, + "[S][Ring1][Branch1]": 292, + "[N][=Ring1]": 293, + "[Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][C]": 294, + "[Ring1][N][C][=Branch1][C][=O][N][Dy]": 295, + "[=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Dy]": 296, + "[Ring1][=Branch1][=O]": 297, + "[=N][Ring2][Ring2][Ring2]": 298, + "[C][=C][N][=C]": 299, + "[Branch2][Branch1][#Branch2]": 300, + "[=N][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][C][C][C][=C]": 301, + "[N][C][C][C][C][C]": 302, + "[=N][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy]": 303, + "[Branch2][Ring2][=N]": 304, + "[Branch2][Ring2][O]": 305, + "[=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C]": 306, + "[Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O]": 307, + "[C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][#Branch2]": 308, + "[C][C][C][C][C]": 309, + "[Branch1][C][N][=O]": 310, + "[Branch2][Ring2][N]": 311, + "[C][C][=Branch1][C][=O]": 312, + "[=C][Ring2][Ring1]": 313, + "[N][C][=C][C][Branch1][Ring1][O]": 314, + "[S][Ring1][=Branch1]": 315, + "[C][O][C][=Branch1][C][=O][C][=C][C][=C]": 316, + "[C][C][=C][C][Branch1][C][Br][=C]": 317, + "[C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][O]": 318, + "[Ring1][Ring2]": 319, + "[C][=C][C][=N][C][=C][Ring1][=Branch1]": 320, + "[C][S][C]": 321, + "[=C][S]": 322, + "[C][C][O][C][=C][C]": 323, + "[N][C][=N][C][Branch1][=C][N][C][C]": 324, + "[N][C][C][=C][C][=C][C]": 325, + "[Branch1][C][F][=C]": 326, + "[N][C][=N][C][Branch1][N]": 327, + "[Branch1][Ring2][C][C][=C]": 328, + "[C][=C][Branch1][C][F]": 329, + "[C][=C][Ring1][=Branch2]": 330, + "[Branch1][C][O][C][C]": 331, + "[=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy]": 332, + "[C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring2][Ring2]": 333, + "[=N][C][Branch1][=Branch2]": 334, + "[Branch2][Ring2][#Branch2]": 335, + "[N][C][=C][C][=C][Branch1][C][F][C]": 336, + "[C][C][C][Ring1][Ring1]": 337, + "[N][C][=Branch1][C][=O][C]": 338, + "[=N][Ring1][Branch1]": 339, + "[N][C][C][C][C][Ring1][Branch1]": 340, + "[=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][O]": 341, + "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O]": 342, + "[=C][Ring1][O][C]": 343, + "[C][C][C][Ring1][=Branch1][C]": 344, + "[Ring1][Ring1]": 345, + "[Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][C][=C][Ring1][#Branch2]": 346, + "[C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy]": 347, + "[C][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy]": 348, + "[Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy]": 349, + "[C@@H1][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy]": 350, + "[C][#C][C][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy]": 351, + "[C][#C][C][C@@]": 352, + "[C][#C][C][C@@][Branch1][C][C]": 353, + "[C][#C][C][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy]": 354, + "[Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][#Branch2]": 355, + "[C][=C][Ring1][N]": 356, + "[C][=C][C][C][C@@H1]": 357, + "[=N][Ring2][Ring1][Branch2][C][=Branch1][C][=O][N][Dy]": 358, + "[=N][Ring2][Ring2][C]": 359, + "[N][C][=N][C][Branch2][Ring1][=Branch2]": 360, + "[N][C][=N][C][Branch1][=Branch2]": 361, + "[=N][Ring2][Ring1][=C][C][=Branch1][C][=O][N][Dy]": 362, + "[Branch1][Ring2][S]": 363, + "[C][=C][C][C][Branch1][Ring2][C][C][=C]": 364, + "[=N][C][Branch1][C][Cl]": 365, + "[C][=C][C][C@@H1]": 366, + "[Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C]": 367, + "[=N][C][Branch2][Ring1][=C]": 368, + "[=N][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][C]": 369, + "[N][C][=N][C][Branch1][S][N][C][C]": 370, + "[Branch1][#Branch1][C][=Branch1][C][=O]": 371, + "[N][C][=N][C][Branch1][=N][N][C][C]": 372, + "[N][=C][Ring2][Ring2]": 373, + "[N][C][C][=N][C][=C]": 374, + "[C][O][C][=Branch1][C][=O][C][C]": 375, + "[N][C][=C][C][Branch1][C][Cl][=C]": 376, + "[N][C][C][=C][N][=C]": 377, + "[O][C][C][Ring1][=Branch1]": 378, + "[C][C][C][=C][C][=C][C]": 379, + "[=N][NH1]": 380, + "[Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1]": 381, + "[C][C][C][Branch1][C][C][C]": 382, + "[C][O][C][=Branch1][C][=O][C][=C][C]": 383, + "[=N][Ring1][=Branch1]": 384, + "[Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1]": 385, + "[N][C][=N][C][Branch2][Ring1][#Branch1]": 386, + "[N][=C][Ring1][Branch2]": 387, + "[Branch2][Ring2][=Branch2]": 388, + "[S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C]": 389, + "[S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Branch1][Ring1][O][C][C]": 390, + "[S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Branch1][Ring1][O][C][C][=C][Ring1][N]": 391, + "[C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Branch1][Ring1][O][C][C][=C][Ring1][N]": 392, + "[N][C][=N][C][Branch2][Ring1][Ring2][N][C][C]": 393, + "[Branch1][C][C][Branch1][C][C][C]": 394, + "[C][N]": 395, + "[N][C@H1]": 396, + "[N][C][C][C][C][C][C]": 397, + "[=N][C][Branch1][#Branch2]": 398, + "[Ring1][=Branch2][=Ring1][Branch1]": 399, + "[=N][C][Branch1][=C][N][C][=C][C][=C]": 400, + "[O][Ring1][Branch1]": 401, + "[N][C][C][=N][N][=C]": 402, + "[=C][Ring1][=N]": 403, + "[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C]": 404, + "[C][O][C][C]": 405, + "[C][O][C][=C][Branch1][C][F]": 406, + "[Branch1][Ring1][O][C][C][=C][Ring1][Branch2]": 407, + "[N][Branch1][C][C][C][C][Ring1][#Branch1]": 408, + "[Branch1][C][F][=C][C]": 409, + "[Branch1][C][C][C][=Ring1][=Branch1]": 410, + "[=C][Branch1][C][Cl]": 411, + "[O][C][Branch1][C][C][Branch1][C][C][C]": 412, + "[Branch1][Ring1][C][#N][C]": 413, + "[=N][Ring2][Ring2][Branch1]": 414, + "[N][C][=N][NH1]": 415, + "[Branch1][Ring1][O][C][=C][Ring2][Ring2]": 416, + "[C][O][C][=C][C][=C][Branch2][Branch1]": 417, + "[=N][C][Branch2][Ring1][O]": 418, + "[Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][O]": 419, + "[N][=C][Ring1][#Branch1][Cl]": 420, + "[=N][C][Branch1][#C][N][C][=C][C][=C]": 421, + "[=N][C][=C][C][=C]": 422, + "[Branch1][C][F][Branch1][C][F][F]": 423, + "[N][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O]": 424, + "[N][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][=C][Ring1][#Branch2]": 425, + "[N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1]": 426, + "[O][Ring1][=Branch1]": 427, + "[S][C][C]": 428, + "[N][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy]": 429, + "[=Branch1][C][=Branch1][C][=O][N][Dy]": 430, + "[C][=C][Ring1][Branch1][C]": 431, + "[N][=C][Ring1][#Branch2]": 432, + "[=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C]": 433, + "[Branch1][Ring1][O][C][=C][Ring1][#Branch2]": 434, + "[C][O][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C]": 435, + "[C][C@H1]": 436, + "[Ring1][=Branch1][=C][Ring1][#Branch2]": 437, + "[C][=C][Branch1][C][C]": 438, + "[Branch2][Ring2][Branch2]": 439, + "[S][C][C][C]": 440, + "[C][=C][N]": 441, + "[N][Branch1][C][C][C]": 442, + "[C][O][C][=N]": 443, + "[S][C][=Ring1][Branch1]": 444, + "[Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Branch1][Ring1][O][C][=C][Ring2][Ring2]": 445, + "[=N][Ring2][Ring1][#C][C][=Branch1][C][=O][N][Dy]": 446, + "[N][C][=N][C][Branch1][S][N][C][C][C]": 447, + "[N][C][=C][C][Branch1][C][Cl]": 448, + "[C][=C][C][=C][N][=C][Ring1][=Branch1]": 449, + "[C][Ring1][Branch2]": 450, + "[=N][C][Branch1][P][N][C]": 451, + "[=N][Ring2][Ring2][=Branch1]": 452, + "[=Branch1][C][=O][C]": 453, + "[C][O][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Branch1][C][N]": 454, + "[C][O][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Branch1][C][N][C][=C][Ring1][O]": 455, + "[#C][C][C]": 456, + "[Branch1][C][C][=C][C]": 457, + "[Branch1][O]": 458, + "[N][C@@H1][Branch1]": 459, + "[Branch1][Ring1][O][C]": 460, + "[=N][C][Branch2][Ring1][=N]": 461, + "[=N][C][Branch1][P][N][C][C][C]": 462, + "[C][O][C][=C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy]": 463, + "[C][O][C][=C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][#Branch2]": 464, + "[C][C][=Branch1][C][=O][C][=C][C][=C]": 465, + "[Branch2][Branch1][O]": 466, + "[C][C][=C][C][Branch1][C][C][=C]": 467, + "[N][C][=N][C][Branch2][Ring1][Ring1][N][C][C]": 468, + "[Branch1][C][C][C][=C][C][=C][Ring1][#Branch1]": 469, + "[Branch1][C][C][=O]": 470, + "[C][O][C][=N][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][#Branch2]": 471, + "[=N][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy]": 472, + "[N][C][C][Branch1]": 473, + "[Branch1][C][F][=C][Ring1][#Branch1]": 474, + "[C][C@@H1]": 475, + "[C][O][C][=C][Branch1][C][F][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][O]": 476, + "[C][C][C][N]": 477, + "[Ring1][Branch1][Branch1][C][C]": 478, + "[C@@][Ring1][Branch1][Branch1][C][C]": 479, + "[=N][C][Branch1][P][N][C][C][C][C@@][Ring1][Branch1][Branch1][C][C]": 480, + "[=N][Ring2][Ring2][#Branch1]": 481, + "[C][=C][Ring2][Ring1]": 482, + "[N][C][=C][C][=C][Branch1]": 483, + "[Branch1][#Branch2][C]": 484, + "[Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring2][Ring2]": 485, + "[Ring1][=N]": 486, + "[N][C][=N][C][=C][C][=C]": 487, + "[Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Branch1][C][C]": 488, + "[N][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C]": 489, + "[N][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][N][C][=Branch1][C][=O][N][Dy]": 490, + "[N][C@@H1][C]": 491, + "[N][C@@H1][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C]": 492, + "[N][C@@H1][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C@H1]": 493, + "[N][C@@H1][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C@H1][Ring1][N][C][=Branch1][C][=O][N][Dy]": 494, + "[=N][C][Branch2][Ring1][=N][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][N][C][=Branch1][C][=O][N][Dy]": 495, + "[=N][C][Branch2][Ring1][=C][N][C@@H1][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C@H1][Ring1][N][C][=Branch1][C][=O][N][Dy]": 496, + "[=N][C][Branch1][P][N][C][C][C][C@@][Ring1][Branch1][Branch1][C][C][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1]": 497, + "[N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C]": 498, + "[S][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Dy]": 499, + "[N][C][Branch1][S][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Dy]": 500, + "[N][C][Branch1][#C][C][C]": 501, + "[N][C][Branch1][#C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Dy]": 502, + "[O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Dy]": 503, + "[O][C][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Dy]": 504, + "[N][C][Branch1][O][C][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Dy]": 505, + "[=N][C][Branch2][Ring1][#Branch2][N][C][Branch1][S][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Dy]": 506, + "[=N][C][Branch2][Ring1][=Branch2][N][C][Branch1][#C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Dy]": 507, + "[=N][C][Branch2][Ring1][Branch1][N][C][Branch1][O][C][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Dy]": 508, + "[C][S][C][=N][C][=C]": 509, + "[C][C][Ring1][=Branch2]": 510, + "[=N][C][Branch2][Ring1][C][N][C][C]": 511, + "[N][C][=C][C][=C][Branch1][C][Cl][C]": 512, + "[S][Ring1][=Branch2]": 513, + "[C][=C][Ring1][#Branch1][C]": 514, + "[Ring1][#Branch1][=O]": 515, + "[N][C][=C][C][=C][C][=C][Ring1][=Branch1][C]": 516, + "[C][C][=C][C][=C][C][=C][Ring1][=Branch1]": 517, + "[=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Branch1][Ring1][O][C][=C][Ring2][Ring2]": 518, + "[=N][N][=C]": 519, + "[N][C][=N][N][=C]": 520, + "[C][C][=C][C][=C][Branch2][Branch1]": 521, + "[Branch1][C][=Branch1][C][=O][N][Dy]": 522, + "[S][Branch1][C][C][=O]": 523, + "[Ring1][Branch1][=C][Ring1][=Branch2]": 524, + "[C][C][=C][C][Branch1][C][Cl]": 525, + "[N][C][C][=C][C][=C][N][=C][Ring1][=Branch1]": 526, + "[C][=C][Ring1][=C]": 527, + "[=N][C][Branch2][Ring1][Ring1][N][C][=C][C]": 528, + "[C][C@H1][Branch2][Ring2]": 529, + "[N][Ring1][Branch1][C]": 530, + "[Branch1][C][F][=C][Ring1][Branch2]": 531, + "[N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C]": 532, + "[Branch1][C][Cl][=C][Ring1][Branch2]": 533, + "[Branch2][Ring2][#Branch1]": 534, + "[=N][C][Branch2][Ring1][=Branch1][N][C][=C][C]": 535, + "[Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1]": 536, + "[N][C][=N][C][Branch1][O][N][C][C]": 537, + "[=Branch1][C][=O][N][C][C][N]": 538, + "[N][Branch1][C][C][C@@H1][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy]": 539, + "[N][C][=N][C][Branch1][#Branch2][N][C][C]": 540, + "[=N][C][Branch2][Ring1][#Branch1][N][Branch1][C][C][C@@H1][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy]": 541, + "[N][C][C][O][C][C][Ring1][=Branch1][C]": 542, + "[Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C]": 543, + "[N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1]": 544, + "[=Branch1][C][=O][NH1][C]": 545, + "[=N][Ring2][Ring1][=Branch1]": 546, + "[C][C][O][C][C]": 547, + "[=N][C][Branch2][Ring1][#Branch2][N][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][=C][Ring1][#Branch2]": 548, + "[N][C][=Branch1][C][=O][C][=C][C][=C]": 549, + "[C][#C][C][C@H1][Branch2][Ring2]": 550, + "[Branch2][Branch1][N]": 551, + "[N][C][C][C][Branch1][C][C]": 552, + "[=C][Ring1][=C]": 553, + "[=N][C][Branch1][C][C][=C]": 554, + "[N][=Ring1][Branch1]": 555, + "[N][C][C][=C][C][=C][Branch1]": 556, + "[=N][N][Branch1][C][C][C][=Ring1][=Branch1]": 557, + "[N][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C@@H1]": 558, + "[N][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C@@H1][Branch1][C][C]": 559, + "[N][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C@@H1][Branch1][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]": 560, + "[=N][C][Branch2][Ring1][=Branch2][N][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C@@H1][Branch1][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]": 561, + "[N][C][=C][C][Branch1][C][C][=C]": 562, + "[C][=C][C][C@H1][Branch2][Ring2]": 563, + "[=N][C][Branch2][Ring1][Ring2][N][C][=C]": 564, + "[NH1][N][=Ring1]": 565, + "[=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring2][Ring2]": 566, + "[N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Branch1][C][C]": 567, + "[N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Branch1][C][C][O][C][Branch1][C][C][Branch1][C][C][C]": 568, + "[=N][C][Branch2][Ring1][Branch2][N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Branch1][C][C][O][C][Branch1][C][C][Branch1][C][C][C]": 569, + "[=N][N][Ring1][Branch1][C]": 570, + "[O][Ring1][=Branch2]": 571, + "[=Branch1][C][=O][O][C]": 572, + "[=N][Ring2][Ring1][O][C]": 573, + "[N][C][=C][N][=C][C]": 574, + "[=N][Ring2][Ring1][S][C][=Branch1][C][=O][N][Dy]": 575, + "[=N][Ring2][Ring1][N][C]": 576, + "[O][Ring1][#Branch1]": 577, + "[N][=C][Ring1][=Branch1][C]": 578, + "[C][=C][Ring1][=N]": 579, + "[C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][C][=C][Ring1][#Branch2]": 580, + "[Ring1][=Branch2][C]": 581, + "[N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C]": 582, + "[=N][Ring2][Ring1][N][=C][Ring2][Ring2]": 583, + "[C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][#Branch2]": 584, + "[=N][Ring2][Ring1][O][=C][Ring2][Ring2]": 585, + "[C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Dy]": 586, + "[Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Dy]": 587, + "[=N][C][Branch1][P][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Dy]": 588, + "[N][C][=N][C][Branch1][S][N][C][C][=N]": 589, + "[C][C][=C][C][Branch1][C][Br][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][O]": 590, + "[=N][C][Branch2][Ring1][C][N][C][=N][C]": 591, + "[N][C][=N][C][=C][C]": 592, + "[C][#C]": 593, + "[=C][Branch1][C][Cl][C][=C][Ring2][Ring2]": 594, + "[=N][C][Branch1][Branch2]": 595, + "[O][C][Ring1][=Branch1]": 596, + "[Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]": 597, + "[=N][NH1][C]": 598, + "[Branch1][Ring2][C]": 599, + "[Branch1][C][F][Branch1][C][F]": 600, + "[Branch1][C][F][=C][Branch1][C][F]": 601, + "[N][C][=N][C][=N][Ring1][Branch1]": 602, + "[Branch1][=Branch1][C][C][C][Ring1]": 603, + "[NH1][C][=C][C]": 604, + "[Branch1][C][Br][=C][Ring1][O][C]": 605, + "[=C][Ring2][Ring2][Ring2]": 606, + "[C][C][C][O]": 607, + "[Branch1][=Branch1][C][Branch1][C][C][=O]": 608, + "[=Ring2][Ring2]": 609, + "[=C][Branch1][C][Br]": 610, + "[N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][=C]": 611, + "[N][Ring1][Branch1][C][C]": 612, + "[=N][C][Branch1][=N][N][C][=C][C]": 613, + "[C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C]": 614, + "[C][C][=C][Branch1][C][Br]": 615, + "[=N][Ring2][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy]": 616, + "[C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][O]": 617, + "[C][C][=C][C][Branch1][C][Br]": 618, + "[C][C][=C][C][Branch1][C][Br][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][O]": 619, + "[C][C][=C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][#Branch2]": 620, + "[Branch1][Ring1][S][C]": 621, + "[=N][C][Branch2][Ring1][Ring2][N][C][=C][N][=C]": 622, + "[Branch2][Branch1][=N]": 623, + "[=N][C][Branch1][S][N][C][=C][C][=C]": 624, + "[Branch1][Ring1][C][#N][C][=C][Ring1][Branch2]": 625, + "[Branch2][Ring2][Ring2]": 626, + "[=N][Ring2][Ring2][Branch2]": 627, + "[=Branch1][C][=O][N][C][C][C][C]": 628, + "[=N][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][C][Branch1][C][Br][=C][Ring1][O][C]": 629, + "[O][C][C][Ring1][#Branch1]": 630, + "[Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl]": 631, + "[S][Ring1][#Branch2]": 632, + "[=N][NH1][Ring1][Branch1]": 633, + "[Branch1][=Branch2][C]": 634, + "[C@H1][Ring1][Branch1]": 635, + "[=N][C][Branch2][Ring1][P]": 636, + "[Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2]": 637, + "[N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1]": 638, + "[=C][Ring2][Ring2][Branch2]": 639, + "[N][C][=N][C][Branch2][Ring1][C][N][C][C][C][C][C]": 640, + "[Branch1][C][C][=C][Ring1][O][C]": 641, + "[C][=C][Ring1][#Branch1][Cl]": 642, + "[N][C][=Branch1][C][=O][C][=C][C]": 643, + "[=C][C][=C][Ring2][Ring2]": 644, + "[Branch1][#Branch1][C][=Branch1][C][=O][O]": 645, + "[=N][C][Branch2][Ring1][Branch2][N][C][=C][C][Branch1][Ring1][O]": 646, + "[Branch1][C][Cl][N][=C][Ring1][#Branch1]": 647, + "[=C][Ring1][#Branch1][C]": 648, + "[=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C]": 649, + "[=N][Ring1][N]": 650, + "[C][C][=C][Branch1][C][Br][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][O]": 651, + "[C][C][Branch1][C][C][C][C]": 652, + "[N][C][=C][Branch1][C][C][C][=C]": 653, + "[C][=C][C][Ring1][#Branch1]": 654, + "[C][=C][Branch1][Ring1][O][C][C]": 655, + "[N][C][=N][C][Branch2][Ring1][#Branch2]": 656, + "[Branch1][C][C][S][Ring1][=Branch1]": 657, + "[C][C][=Branch1][C][=O][N]": 658, + "[=C][Ring2][Ring2][Branch1]": 659, + "[=N][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][C][C][C][=C][Branch1][C][Cl]": 660, + "[=N][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][C][Branch1][C][C][=C][Ring1][O][C]": 661, + "[=N][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][C][C][C][=C][Branch1][C][Br]": 662, + "[=N][C][Branch2][Ring1][Ring1][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1]": 663, + "[C][=C][Ring1][O][C]": 664, + "[Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Branch1][C][Br]": 665, + "[Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Branch1][C][Br][C][=C][Ring1][O][C]": 666, + "[=N][C][Branch1][=C][N][C][=N][C]": 667, + "[N][C][C][C][=N][C][=C]": 668, + "[Branch1][#Branch1][C][C]": 669, + "[N][C][=C][C][=C][C][Branch1][#Branch1]": 670, + "[N][C][=N][C][Branch1][P][N][C][C][C][C]": 671, + "[Branch2][Ring2][=Branch1]": 672, + "[Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][C][=C][Ring1][#Branch2][C]": 673, + "[N][C][=N][C][Branch1][=C][N][C][=C][C][=C]": 674, + "[C][=C][C][=C][Ring1][Branch2]": 675, + "[N][C][C][C][=Branch1][C][=O][N]": 676, + "[Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][#Branch2][C]": 677, + "[N][C][=N][C][Branch1][=C][N][C][C][=C][C][=C]": 678, + "[N][Ring1][=Branch1]": 679, + "[=N][Ring1][=Branch2]": 680, + "[S][Ring1][O]": 681, + "[C][S][=Branch1][C][=O][=Branch1][C][=O]": 682, + "[O][C][Branch1][C][C][C]": 683, + "[=N][C][Branch2][Ring1][#Branch2][N][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1]": 684, + "[Branch1][Ring1][S][C][N][=C][Ring1][Branch2]": 685, + "[=Branch1][C][=O][N][Branch1][C][C][C]": 686, + "[O][C][C][C]": 687, + "[C][=C][N][=C][Ring1][#Branch2]": 688, + "[N][C][=N][C][Branch2][Ring1][O]": 689, + "[Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2]": 690, + "[Branch1][Ring1][C][C]": 691, + "[=N][C][Branch2][Ring1][Ring1][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1]": 692, + "[N][C][=C][C][=C][Branch2][Ring1]": 693, + "[S][C][=C][C]": 694, + "[O][C][Branch1][C][C][Branch1][C][C][C][C]": 695, + "[C][C][Branch1][#Branch2]": 696, + "[C][C][Branch1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][C]": 697, + "[N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1]": 698, + "[=N][C][Branch2][Ring1][Branch1][N][C][=C][C]": 699, + "[N][C][C][=C][Branch1][C][C]": 700, + "[N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1]": 701, + "[N][C][=N][C][Branch1][=N][N][C][=C][C]": 702, + "[N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C]": 703, + "[S][Ring1][#Branch1]": 704, + "[C][C@@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]": 705, + "[=N][C][Branch1][=C][N][C][C]": 706, + "[Branch1][C][C][=C][Ring1][Branch2]": 707, + "[=N][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][C][C][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1]": 708, + "[N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][=C][C][=C]": 709, + "[Branch2][Branch1][=C]": 710, + "[=N][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][C][C][C][=C][Branch1][C][Br][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1]": 711, + "[Ring1][Branch2][C]": 712, + "[N][C][=N][C][Branch1][#C][N][C][C][C][C]": 713, + "[N][C][C@H1]": 714, + "[Branch1][Ring2][S][Ring1][Branch1][C][C]": 715, + "[=N][C][Branch1][O][N][C][=N][C][=C]": 716, + "[N][=C][Ring1][Branch1][C]": 717, + "[C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2]": 718, + "[=N][C][=C][Ring1][=Branch1][C]": 719, + "[N][C][=N][C][Branch1][#C][N][C][C][C]": 720, + "[C][=C][Ring2][Ring2][=Branch2]": 721, + "[O][C][=C][C][=C][Branch1][C][F]": 722, + "[S][C][=Ring1]": 723, + "[Branch1][O][C][C]": 724, + "[=N][Ring2][Ring1][P][C][=Branch1][C][=O][N][Dy]": 725, + "[C][=C][C][C@H1]": 726, + "[N][C][=N][C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][C]": 727, + "[=C][Ring2][Ring1][P]": 728, + "[=N][Ring2][Ring1][=C][C]": 729, + "[=N][C][Branch1][#C][N][C][C]": 730, + "[C][C][Ring1][N]": 731, + "[=Branch1][C][=O][N][C]": 732, + "[N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][=C][C]": 733, + "[=N][C][Branch2][Ring1][#Branch1][N][C][=C]": 734, + "[O][Ring1][#Branch2]": 735, + "[N][C][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy]": 736, + "[O][C][Branch1][C][F][F]": 737, + "[N][C][=N][C][=C][C][=C][Ring1][=Branch1][C]": 738, + "[N][S][Branch1][C][C][=Branch1][C][=O][=O]": 739, + "[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C]": 740, + "[Ring1][#Branch2][=O]": 741, + "[Branch1][Ring1][C][O][C][C]": 742, + "[Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2]": 743, + "[Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2]": 744, + "[N][C][Ring1][=Branch1][=O]": 745, + "[Branch1][=Branch1][C][C][C][Ring1][Ring2]": 746, + "[C][C][C][Ring1][Branch1]": 747, + "[Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1]": 748, + "[=C][C][=N][Ring1][#Branch1]": 749, + "[Branch1][=Branch1][C][Branch1][C][N][=O]": 750, + "[=C][S][Ring1][N]": 751, + "[Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1]": 752, + "[C][C][C][O][C][C][Ring1][=Branch1]": 753, + "[S][C][=Ring1][Branch1][C]": 754, + "[N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2]": 755, + "[C][C][O][C][=Branch1][C][=O][C][=C][N][=C]": 756, + "[Ring2][Ring2][Ring1]": 757, + "[Ring2][Ring2][Ring2]": 758, + "[N][C][=N][C][Branch2][Ring1][Branch1][N][C][C]": 759, + "[=N][Ring2][Ring1][=C][=C][Ring2][Ring2]": 760, + "[O][C][Ring1][Branch1]": 761, + "[Branch1][C][F][Branch1][C][F][C]": 762, + "[N][C][=N][C][Branch2][Ring1][P]": 763, + "[=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Branch1][C][Br][C][=C][Ring1][O][C]": 764, + "[Branch1][C][Br][C]": 765, + "[=N][Ring2][Ring2][C][C][=Branch1][C][=O][N][Dy]": 766, + "[N][C][=N][C][Branch1][S][N][C][=C][C][=C]": 767, + "[Branch1][C][Br][C][=C][Branch1][C][C]": 768, + "[N][C][=N][C][Branch1][#C][N][C][=C][C][=C]": 769, + "[NH1][C][Ring1][=Branch1][=O]": 770, + "[Branch1][Branch1][C][C]": 771, + "[=N][C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][C][=C][Ring1][#Branch2][C]": 772, + "[=N][Ring2][Ring2][=Branch2]": 773, + "[=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][=C]": 774, + "[Ring1][C]": 775, + "[=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1]": 776, + "[N][=C][Ring1][Branch1]": 777, + "[NH1][N][=C][C]": 778, + "[N][C][C][C][C][Ring1][Branch1][=O]": 779, + "[Branch2][Branch1][#C]": 780, + "[=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][#Branch2][C]": 781, + "[=N][Ring2][Ring1][#C][C]": 782, + "[Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1]": 783, + "[N][C][N][=C]": 784, + "[C][=C][N][=C][C]": 785, + "[N][C][C@@H1][C][C][O]": 786, + "[N][C][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][=C][C][=C]": 787, + "[N][C][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1]": 788, + "[Ring2][Ring2][=Branch2]": 789, + "[=N][C][Branch2][Ring1][#Branch1][N][C][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1]": 790, + "[=N][C][C][=C][C][=C]": 791, + "[P][C][C][=C][C][=C]": 792, + "[S][C][=C][C][=Ring1][Branch1][C]": 793, + "[N][C@@H1][Branch1][=N][C][C][=C][C][=C]": 794, + "[=N][C][Branch2][Ring1][#Branch1][N][C@@H1][Branch1][=N][C][C][=C][C][=C]": 795, + "[Branch1][C][F][=C][Ring1][O]": 796, + "[C][O][C][=Branch1][C][=O][C]": 797, + "[N][C][C][=C][N][=C][C]": 798, + "[=C][Ring1][=Branch1]": 799, + "[C][=C][Ring2][Ring2][#Branch2]": 800, + "[=N][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C]": 801, + "[=N][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][C][Br][C][=C][Branch1][C][C]": 802, + "[Branch2][Ring2][Branch1]": 803, + "[Branch1][C][F][C][=C][C][=C][Ring1][#Branch1]": 804, + "[C][C][Branch1][C][C][Branch1][C][C][O][C]": 805, + "[Branch1][C][C][=C][Ring1][#Branch1]": 806, + "[Ring1][=C]": 807, + "[P][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2]": 808, + "[N][C@@H1][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2]": 809, + "[N][C][=N][C][Branch1][S][N][C][C][=C][C][=C]": 810, + "[=N][C][Branch2][Ring1][O][N][C@@H1][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2]": 811, + "[=N][Ring2][Ring1][#C][=C][Ring2][Ring2]": 812, + "[N][C][=N][C][Branch2][Ring1][C][N][C][C][=C]": 813, + "[Ring1][Branch2][=O]": 814, + "[Branch1][C][C][C][=Ring1][=Branch1][C]": 815, + "[C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2]": 816, + "[S][=Branch1][C][=O][=Branch1][C][=O][N][C][C]": 817, + "[C][O][Ring1][#Branch1]": 818, + "[Ring1][P]": 819, + "[C][C][Ring1][=Branch1]": 820, + "[=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F]": 821, + "[=N][C][Branch1][=C][N][C][=N][C][=C]": 822, + "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N]": 823, + "[=N][C][Branch2][Ring1][Branch1][N][C][=C][C][=C]": 824, + "[Branch1][=Branch1][C][C][C][Ring1][Ring1]": 825, + "[=C][C][=C][Ring1][#Branch2][Ring1][#Branch1]": 826, + "[Branch1][C][F][=C][Ring1][=N]": 827, + "[Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][F][=C][Ring1][=N]": 828, + "[Branch1][Ring2][S][Ring1][Branch1][C]": 829, + "[C][=C][C][Ring1][#Branch1][=N][Ring1][#Branch2]": 830, + "[C][C][Branch1][C][C][Branch1][C][C][O][C][C]": 831, + "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][C]": 832, + "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C]": 833, + "[Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][N]": 834, + "[N][C][=C][C][=C][N][=C][Ring1][=Branch1]": 835, + "[Ring2][Ring2][=Branch1]": 836, + "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C@@H1]": 837, + "[C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C]": 838, + "[O][C][=C][C][=C][C][=C][Ring1][=Branch1]": 839, + "[N][C][=N][C][Branch1][=C][N][C][C][C][C]": 840, + "[C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy]": 841, + "[NH1][C][=Branch1][C][=O][N]": 842, + "[C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1]": 843, + "[Ring2][Ring2][Branch1]": 844, + "[=Ring1][N]": 845, + "[N][C][=N][C][Branch2][Ring1][=Branch1][N][C][C]": 846, + "[Branch1][C][Cl][=C][Ring1][=Branch2]": 847, + "[Ring1][#Branch1][C]": 848, + "[N][C][=N][C][Branch1][=N][N][C][C][=C]": 849, + "[=N][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1]": 850, + "[=N][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][C][Br][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1]": 851, + "[C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy]": 852, + "[Branch2][Branch1][P]": 853, + "[Ring1][C][=Branch1][C][=O][N][Dy]": 854, + "[C][C][C][N][Ring1][=Branch2][C]": 855, + "[C][C@@]": 856, + "[C][C@@][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy]": 857, + "[C][C@@][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][C][N][Ring1][=Branch2][C]": 858, + "[=N][C][Branch1][C][Cl][=C][Ring1][#Branch1]": 859, + "[Branch1][C][F][=C][Ring1][O][O][C]": 860, + "[Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][C][Branch1][C][F][=C][Ring1][O][O][C]": 861, + "[N][C][C][=C][N]": 862, + "[=N][Ring2][Ring1][N][=C]": 863, + "[N][C][=N][C][Branch2][Ring1][=Branch2][N][C][C]": 864, + "[Ring1][Branch1][=N][Ring1][#Branch2]": 865, + "[NH1][C][=N][C]": 866, + "[=Ring1][#Branch1]": 867, + "[N][C][=N][C][=N][C]": 868, + "[=N][Ring2][Ring1][O][C][=Branch1][C][=O][N][Dy][C][=C][Ring2][Ring2]": 869, + "[N][=C][NH1][C]": 870, + "[=N][C][Branch1][S][N][C][=C][C]": 871, + "[=Branch1][Ring2][=C][Ring1][=Branch1]": 872, + "[Ring2][Ring2][#Branch1]": 873, + "[C][=C][C][=C][C][=C][Ring1][=Branch1][C]": 874, + "[Branch2][Branch1][C][C]": 875, + "[N][C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][=C]": 876, + "[=N][C][Branch2][Ring1][#Branch1][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1]": 877, + "[N][C][=N][C][Branch2][Ring1][=Branch2][N][C][C][=C][C][=C][Branch1]": 878, + "[=N][C][Branch1][=C][N][C][=C]": 879, + "[Branch1][C][F][C][=C][Ring1][#Branch1][C]": 880, + "[C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C]": 881, + "[=N][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy][C][=C][Ring2][Ring2]": 882, + "[C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C]": 883, + "[Branch1][C][C][=N][N]": 884, + "[C][=C][N][=C][Ring1][#Branch2][O][C]": 885, + "[Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][N][=C][Ring1][#Branch2][O][C]": 886, + "[Branch1][Ring1][C][#N][C][=N][N]": 887, + "[=N][C][=C][C]": 888, + "[=N][Ring2][Ring1][Branch1]": 889, + "[NH1][Ring1][Branch2]": 890, + "[=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1]": 891, + "[N][C][=N][C][Branch1][#Branch1]": 892, + "[=N][C][Branch2][Ring1][#Branch1][N][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][C][Branch1][C][F][=C][Ring1][O][O][C]": 893, + "[N][C][=N][C][Branch1][=N][N][C][C][C]": 894, + "[=N][C][Branch2][Ring1][Ring2][N][C][=C][N][=C][Branch1][Ring1][S][C][N][=C][Ring1][Branch2]": 895, + "[=N][C][Branch2][Ring1][Ring2][N][C][=C][C]": 896, + "[N][C][=N][NH1][C][=C][Ring1][Branch1][C]": 897, + "[N][C][=N][C][Branch1][P][N][C][C][=C][C]": 898, + "[Branch1][Ring1][O][C][C][=C]": 899, + "[N][N][=C]": 900, + "[=N][Ring2][Ring1][O][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring2][Ring2]": 901, + "[C][=C][Ring2][Ring2][Branch2]": 902, + "[=N][C][Branch1][=N][N][C][C]": 903, + "[=N][C][Branch2][Ring1][Ring2][N][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][N][=C][Ring1][#Branch2][O][C]": 904, + "[C][C][=C][N][=C]": 905, + "[N][Branch1][=Branch1][C]": 906, + "[=N][Ring1][O]": 907, + "[Ring2][Ring1][C]": 908, + "[NH1][Ring1][Branch1]": 909, + "[=N][C][Ring1][=Branch1][=C][Ring1][#Branch2]": 910, + "[Branch1][C][C][=N][Ring1][Branch2]": 911, + "[Branch2][Branch1][S]": 912, + "[=N][Ring2][Ring1][Ring2]": 913, + "[=N][C][Branch1][#C][N][C][=C][C]": 914, + "[=N][C][Branch1][C][C][=C][Branch1][C][C]": 915, + "[=N][Ring2][Ring1][#Branch2][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring2][Ring2]": 916, + "[=N][C][Branch2][Ring1][N]": 917, + "[N][C][C][=C][C][=C][C][=C][Ring1][=Branch1]": 918, + "[=N][Ring2][Ring1][S][C]": 919, + "[S][C][=C][Ring1][Branch1][C]": 920, + "[N][C][=N][C][Branch2][Ring1][=N]": 921, + "[=N][C][Branch1][=C][N][C][=C][C][=C][C]": 922, + "[N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][=N]": 923, + "[C][=C][Ring2][Ring2][Ring2]": 924, + "[=N][C][Branch1][C][Cl][=C][Ring1][Branch2]": 925, + "[C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2]": 926, + "[=N][C][Branch2][Ring1][Ring2][N][C][=C][Branch1][Ring1][O][C][C][=C]": 927, + "[Ring1][S]": 928, + "[C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2]": 929, + "[C@@H1][Branch2][Ring1]": 930, + "[C@@H1][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2]": 931, + "[=N][N][C@@H1][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2]": 932, + "[N][C][=C][C][Branch1][C]": 933, + "[N][C][=C][C][Branch1][C][N][=C]": 934, + "[N][C][=C][C][Branch1][C][N][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][O]": 935, + "[N][C][=C][C][Branch1][C][N][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][O][O][C]": 936, + "[=N][C][Branch2][Ring1][=N][N][C@@H1][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2]": 937, + "[S][C][=Branch1][C][=O][N][Dy]": 938, + "[C][=C][Branch1][C][Br]": 939, + "[=Ring1][=Branch2]": 940, + "[=N][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy][C][=C][Ring2][Ring2]": 941, + "[C][O][C][=C][C][=C][Branch2][=Branch1]": 942, + "[=N][C][Branch1][S][N][C][C]": 943, + "[=N][Ring2][Ring1][N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring2][Ring2]": 944, + "[=N][C][Branch2][Ring1][Branch2][N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2]": 945, + "[N][C][=N][C][Branch1][C][Cl]": 946, + "[=N][C][Branch1][P][N][C][C]": 947, + "[Branch2][Ring2][Ring1]": 948, + "[N][C][=N][C][Branch2][Ring1][S]": 949, + "[C][Branch1][C][Cl]": 950, + "[=N][C][Branch2][Ring1][Ring2][N][C][=C][N][=C][Branch1][Ring1][S][C][N][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1]": 951, + "[C][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy]": 952, + "[C][C][=C][C][=N][C][=C][Ring1][=Branch1]": 953, + "[=Branch1][C][=O][N][Branch1][C][C]": 954, + "[=N][Ring2][Ring2][#Branch2]": 955, + "[N][C][=N][C][Branch2][Ring1][N]": 956, + "[Ring2][Ring2][Branch2]": 957, + "[Branch2][=Branch1][Ring2]": 958, + "[=C][Branch1][C][Cl][C][=C][Ring2][Ring1]": 959, + "[=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][Ring1][O]": 960, + "[=N][C][C][C][C]": 961, + "[C][C][O][C][=Branch1][C][=O][C][=C]": 962, + "[C][=C][C][Ring1][=Branch1]": 963, + "[=N][Ring2][Ring1][Branch1][C][=Branch1][C][=O][N][Dy]": 964, + "[N][C][=N][C][=C][S][Ring1][Branch1]": 965, + "[NH1][Ring1][#Branch1]": 966, + "[C][C][O][C][=Branch1][C][=O][C]": 967, + "[Branch1][C][Cl][=C][Branch1][C][Cl]": 968, + "[Branch1][Branch2][C]": 969, + "[Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C]": 970, + "[C][Ring1][#Branch1]": 971, + "[Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][N]": 972, + "[=N][O][Ring1][Branch1]": 973, + "[Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O]": 974, + "[=Branch1][C][=O][N][Ring1][=Branch1]": 975, + "[N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2]": 976, + "[=N][N][=N][NH1][Ring1][Branch1]": 977, + "[N][C][=C][C][=N][C]": 978, + "[N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]": 979, + "[C][Branch1][C][F][=C][Ring1][Branch2]": 980, + "[=Branch1][C][C][C][Ring1][Ring1]": 981, + "[C][=C][Ring1][=Branch2][Ring1][=Branch1]": 982, + "[=N][O][Ring1][Branch2]": 983, + "[C][O][C][C@H1][Ring1][Branch1]": 984, + "[C@@H1][C][O][C][C@H1][Ring1][Branch1]": 985, + "[Branch1][Ring1][C][#N][=C][Ring1][=Branch2]": 986, + "[Ring1][#Branch1][=O][C]": 987, + "[=N][C][C][C][C][=Branch1][C][=O][N][C]": 988, + "[=N][C][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O][C]": 989, + "[Ring1][N][=O]": 990, + "[Branch1][C][Cl][N][=C][Ring1][#Branch1][Cl]": 991, + "[N][C][=C][N][=C][Branch1][C][Cl][C]": 992, + "[C][O][Ring1][=Branch2]": 993, + "[C][C][Ring1][#Branch2]": 994, + "[Branch1][O][C][C][O][C][C]": 995, + "[O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2]": 996, + "[O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1]": 997, + "[N][C][=Branch1][C][=O][C][Ring1][#Branch1]": 998, + "[N][C][C@@H1][C][C@@H1]": 999, + "[Branch1][Branch2][N][C][C][C][C][Ring1][Branch1]": 1000, + "[Branch1][Ring1][C][#N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][N]": 1001, + "[N][C][=N][C][=N][C][=C][Ring1][=Branch1]": 1002, + "[Branch1][C][Cl][C][=C][Ring1][#Branch1][F]": 1003, + "[N][C][C][C][C][N]": 1004, + "[N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C]": 1005, + "[C][C][C][Ring1][=Branch1][=O]": 1006, + "[N][=N][Ring1][Branch1]": 1007, + "[NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1]": 1008, + "[C][=C][C][=C][Ring1][=Branch1][F]": 1009, + "[Branch1][C][Cl][=N][Ring1][#Branch1]": 1010, + "[Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][C][=C][Ring1][O]": 1011, + "[Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C]": 1012, + "[NH1][N][=Ring1][O]": 1013, + "[Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][N][=Ring1][O]": 1014, + "[=N][NH1][C][=Ring1][Branch1]": 1015, + "[=C][C][=N][Ring1][Branch2]": 1016, + "[Ring1][=Branch1][C][Ring1][Branch1]": 1017, + "[Branch1][C][Cl][=N][Ring1][Branch2]": 1018, + "[C][O][Ring1][Branch2]": 1019, + "[Ring1][=Branch2][=O]": 1020, + "[Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2]": 1021, + "[Branch2][Branch1][=Branch1][C]": 1022, + "[N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2]": 1023, + "[N][C][=N][C][Branch1][N][C][=C][C][=C]": 1024, + "[NH1][Ring1][O]": 1025, + "[O][C][C][O][Ring1][=Branch1]": 1026, + "[N][C][C][C][C][C][C][Ring1][Branch1]": 1027, + "[=C][C][=Branch1][C][=O][NH1]": 1028, + "[N][=C][O][C]": 1029, + "[=N][Ring2][Ring1][N][=C][Ring2][Ring2][#Branch1]": 1030, + "[N][C][=C][C][=C][Branch2][Ring1][Ring2]": 1031, + "[C][C][=C][C][=C][C]": 1032, + "[O][C][Ring1][#Branch1]": 1033, + "[N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C]": 1034, + "[N][C][C][C][=N][N]": 1035, + "[Ring1][#Branch2][Ring1][#Branch1]": 1036, + "[C][=C][N][Ring1][#Branch2][Ring1][#Branch1]": 1037, + "[=C][Ring2][Ring2][#Branch1]": 1038, + "[NH1][C][=Branch1][C][=O][NH1][C]": 1039, + "[Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O]": 1040, + "[=N][C][=C][Ring1][#Branch1][C]": 1041, + "[=N][Ring2][Ring1][=Branch2][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring2][Ring2]": 1042, + "[N][C][=N][C][Branch1][S][N][C][=C][C]": 1043, + "[NH1][C][=Branch1][C][=O][C]": 1044, + "[=N][C][Branch2][Ring1][Ring2][N][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1]": 1045, + "[Branch1][C][Br][=C][C][=C][Ring1][#Branch1]": 1046, + "[Ring1][Branch1][C][C][C]": 1047, + "[N][C][=N][C][Branch2][Ring1][C][N][C][C][C]": 1048, + "[=N][C][Branch2][Ring1][#C]": 1049, + "[Ring1][#Branch1][C][Ring1][Branch2]": 1050, + "[Branch1][C][O][Ring1][#Branch1][C][Ring1][Branch2]": 1051, + "[Branch1][Branch1][C][O][Ring1][#Branch1][C][Ring1][Branch2]": 1052, + "[C][=C][Ring1][#C]": 1053, + "[C][C][C][Ring1][#Branch1]": 1054, + "[N][C][C][=C][C][=Branch1][C][=O][N]": 1055, + "[N][=C][Ring1][=Branch1][Br]": 1056, + "[N][C][C][C][C][C][Branch1][C][C]": 1057, + "[N][=Ring2][Ring2]": 1058, + "[=Ring1][=Branch1][C]": 1059, + "[=N][C][Branch2][Ring1][C][N][C][=N][C][=C]": 1060, + "[=Ring1][Branch2]": 1061, + "[Branch1][Branch1][C][C][Ring1][Ring1]": 1062, + "[N][C][=N][C][Branch1][S][N][C][C][C][N][C][=Branch1][C][=O]": 1063, + "[N][C][=C][C][=C][Branch1][=N][C]": 1064, + "[=N][C][Branch1][=N][N][C][=C][C][=C]": 1065, + "[N][C][=N][C][Branch1][P][N][C][C][N][C][=Branch1][C][=O]": 1066, + "[N][C][=N][C][Branch1][S][N][C][C][N][C][=Branch1][C][=O][C][=C][C]": 1067, + "[N][C][=Branch1][C][=O][N][C]": 1068, + "[Branch2][Branch1][Branch1][C]": 1069, + "[Branch1][=Branch1][C][Branch1][C][F][F]": 1070, + "[Ring1][Branch1][C][=C][Ring1][#Branch2]": 1071, + "[=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1]": 1072, + "[C][O][C][=N][C]": 1073, + "[=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1]": 1074, + "[N][C][=C][C][=C][C][Branch1]": 1075, + "[C][C][=C][C][=C][Branch2][=Branch1]": 1076, + "[N][C][=N][C][Branch1][P][N][C][C][C][=Branch1][C][=O][N]": 1077, + "[N][C][=N][C][Branch1][=N][N][C][=C][C][=C]": 1078, + "[=N][C][=C][N][Ring1][Branch1][C]": 1079, + "[=N][C][Branch1][#C][N][C][=C][C][=C][C]": 1080, + "[N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][=N][N][=C]": 1081, + "[Branch2][=Branch1][C]": 1082, + "[Branch2][Branch1][Ring1][C]": 1083, + "[=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch1]": 1084, + "[=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1]": 1085, + "[C][=C][Ring2][Ring2][#Branch1]": 1086, + "[=N][C][Branch2][Ring1][C][N][C][=C][C][=C][C][Branch1][#Branch1]": 1087, + "[C][=Branch1][C][=O][O][C]": 1088, + "[Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][O]": 1089, + "[=N][Ring2][Ring1][=N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring2][Ring2]": 1090, + "[=N][Ring2][Ring1][=Branch2][=C][Ring2][Ring2][Ring2]": 1091, + "[N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1]": 1092, + "[O][N][=Ring1][Branch1]": 1093, + "[N][C][=N][C][Branch1][=Branch2][N][C][C][=C]": 1094, + "[Branch1][Ring1][=Branch2]": 1095, + "[NH1][N][=C][C][Ring1][=Branch2][=Ring1][Branch1]": 1096, + "[=Ring1][Branch1][C][#N]": 1097, + "[Ring1][Branch1][C][C][C][Ring1][=Branch1]": 1098, + "[Ring1][=Branch2][Ring1][=Branch1]": 1099, + "[O][C][O][Ring1][=Branch1]": 1100, + "[C][C][C][Ring1][Branch2]": 1101, + "[Branch1][C][Cl][S][Ring1][=Branch1]": 1102, + "[C][=C][Ring1][#Branch1][Br]": 1103, + "[Branch1][C][Cl][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1]": 1104, + "[C][Branch1][C][F][=C]": 1105, + "[Branch1][C][F][N][=C][Ring1][#Branch1]": 1106, + "[Branch1][Ring2][S][Ring1][Branch1][C][O][C][C][Ring1][#Branch1]": 1107, + "[C][=C][Branch1][C][F][C][Branch1][C][F][=C]": 1108, + "[Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][O]": 1109, + "[=N][C][Branch2][Ring1][#Branch1][N][C][=C][C][Branch1][C][N][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][O][O][C]": 1110, + "[N][C][C][C][S][C][C]": 1111, + "[N][C][C][C][=C]": 1112, + "[=N][N][Branch1][C][C][C][=Ring1][=Branch1][C]": 1113, + "[N][C][=C][N][=C][Branch1][C][Br][C]": 1114, + "[Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=N][Ring1][#Branch2]": 1115, + "[C][C@@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch2][Ring2]": 1116, + "[N][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1]": 1117, + "[=N][S][Ring1][Branch1]": 1118, + "[C][=C][C][=C][O][Ring1][Branch1]": 1119, + "[=N][C][Branch2][Ring1][Branch1][N][C][C]": 1120, + "[Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C]": 1121, + "[Branch1][C][F][=C][C][=C][Ring1][#Branch1]": 1122, + "[C][O][C][C][=C]": 1123, + "[Branch1][#Branch1][C][=Branch1][C][=O][O][C][C]": 1124, + "[=N][C][Branch2][Ring1][Ring1][N][C][C][=C]": 1125, + "[C][C][C][C][Ring1][Ring2]": 1126, + "[=N][C][Branch1][#C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]": 1127, + "[=N][Ring2][Ring2][Ring1][C][=Branch1][C][=O][N][Dy]": 1128, + "[Branch1][Ring1][C][#N][=C]": 1129, + "[N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1]": 1130, + "[=N][C][Branch2][Ring1][O][N][C@@H1][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1]": 1131, + "[Branch1][C][C][O][C]": 1132, + "[=N][C][=N][Ring1][#Branch1]": 1133, + "[=N][Ring2][Ring1][=N][=C][Ring2][Ring2][Branch2]": 1134, + "[Branch1][Ring1][O][C][C][=N][Ring1][Branch2]": 1135, + "[N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][C][=C]": 1136, + "[Branch2][Branch1][Branch2][C]": 1137, + "[Branch1][C][Br][=C][Ring1][#Branch1][C]": 1138, + "[=N][Ring2][Ring1][O][C][=Branch1][C][=O][N][Dy][C][=C][Ring2][Ring2][Branch2]": 1139, + "[Branch2][Branch1][=Branch2][C]": 1140, + "[N][C][C][O][C]": 1141, + "[C][C][Ring1][Branch2]": 1142, + "[N][C][C][N]": 1143, + "[Branch1][C][C][=N][Ring1][#Branch2]": 1144, + "[=N][C][Branch1][N][N][C][=N][C]": 1145, + "[S][C][=C]": 1146, + "[#C][C][=Branch1][C][=O][N][Dy]": 1147, + "[=N][Ring2][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][C][=C][Ring2][Ring2]": 1148, + "[C][=C][Ring1][#Branch1][F]": 1149, + "[N][C][=N][C][Branch2][Ring1][C][N][C][=C][C][=C][C][Branch1][#Branch1]": 1150, + "[N][C][=N][C][Branch1][#Branch2][N][C][C][C]": 1151, + "[=N][C][Branch1][P][N][C][=N][C][=C]": 1152, + "[=N][C][Branch2][Ring1][C][N][C][=C][C][=C]": 1153, + "[C][O][C][=C][N][=C]": 1154, + "[=N][C][Branch1][=Branch1][C]": 1155, + "[=N][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy][C][=C][Ring2][Ring2][#Branch1]": 1156, + "[Branch2][Branch1][Ring2][C]": 1157, + "[=N][Ring2][Ring1][O][=C][Ring2][Ring2][=Branch1]": 1158, + "[=N][C][Branch1][P][N][C][C][C][C]": 1159, + "[N][C][C][=C][N][Branch1][C][C]": 1160, + "[C][O][C][O][C]": 1161, + "[=N][C][Branch1][=C][N][C][=C][N][=C]": 1162, + "[C][=C][Branch1][C][C][C]": 1163, + "[N][C][=N][C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F]": 1164, + "[Branch1][C][C][S]": 1165, + "[C][=C][N][=C][C][=C][Ring1][=Branch1]": 1166, + "[Branch2][Ring2][S][C]": 1167, + "[N][C][=N][C][Branch2][Ring1][#Branch1][N][C][C][C][C]": 1168, + "[=N][Ring2][Ring1][#Branch2][=C][Ring2][Ring2][Branch1]": 1169, + "[C][O][C][=Branch1][C][=O][C][=C]": 1170, + "[=N][O][C]": 1171, + "[Branch1][#Branch1][C][C][Branch1][C][N][=O]": 1172, + "[=C][Ring2][Ring2][Ring1]": 1173, + "[C][O][C][=Branch1][C][=O][C][S][C]": 1174, + "[=N][C][Branch1][N][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C]": 1175, + "[Branch2][Branch1][#Branch1][C]": 1176, + "[#Branch2][C]": 1177, + "[Ring1][#Branch1][N][=Ring1]": 1178, + "[Ring1][#Branch1][N][=Ring1][#Branch2]": 1179, + "[Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch1]": 1180, + "[N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][C]": 1181, + "[NH1][N][=Ring1][Branch1]": 1182, + "[=Branch1][C][=O][NH1][Ring1][#Branch1]": 1183, + "[N][C][=N][NH1][C][=C][C]": 1184, + "[N][C][=C][N][=C][Ring1][#Branch2]": 1185, + "[N][C][=C][N][=C][Ring1][#Branch2][Ring1][Branch1]": 1186, + "[Branch1][C][Br][=C][N][C][=C][N][=C][Ring1][#Branch2][Ring1][Branch1]": 1187, + "[Branch1][C][Cl][C][=C][C][Ring1][#Branch1][=N][Ring1][#Branch2]": 1188, + "[Branch1][C][C][C][Branch1][C][Br]": 1189, + "[Branch1][C][C][C][Branch1][C][Br][=C][Ring1][Branch2]": 1190, + "[N][C][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]": 1191, + "[=N][Ring2][Ring1][N][C][=Branch1][C][=O][N][Dy][C][=C][Ring2][Ring2][=Branch2]": 1192, + "[N][C][=N][C][Branch2][Ring1][C][N][C][C][=C][C]": 1193, + "[N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][=N]": 1194, + "[C][C][Branch1][C][C][O][Ring1][#Branch1]": 1195, + "[N][C][=C][N][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1]": 1196, + "[N][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][C][=C]": 1197, + "[N][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]": 1198, + "[N][C][=N][C][Branch1][O][N][C][C][C][C][C]": 1199, + "[=N][C][Branch2][Ring1][#Branch1][N][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]": 1200, + "[=N][C][Branch1][S][N][C][=N][C][=C]": 1201, + "[=N][Ring2][Ring1][=C][C][=Branch1][C][=O][N][Dy][C][=C][Ring2][Ring2]": 1202, + "[=N][Ring2][Ring1][Branch2][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring2][Ring2]": 1203, + "[=N][C][Branch1][#C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1]": 1204, + "[C][=C][Ring1][Branch2][C]": 1205, + "[N][C][=N][C][Branch1][C][Cl][=C]": 1206, + "[Ring2][Ring2][C]": 1207, + "[C][=C][Ring2][Ring2][=Branch1]": 1208, + "[N][C][=N][C][Branch2][Ring1][C][N][C][C][C][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2]": 1209, + "[=N][C][Branch2][Ring1][Branch2][N][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2]": 1210, + "[=N][C][Branch2][Ring1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C]": 1211, + "[Branch1][C][Cl][C][=C][Ring1][#Branch1][C]": 1212, + "[=N][C][Branch2][Ring1][S]": 1213, + "[=N][Ring2][Ring1][=N][=C][Ring2][Ring2][Ring2]": 1214, + "[N][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1]": 1215, + "[C][=C][Ring1][Branch2][F]": 1216, + "[N][C][=N][C][Branch1][P][N][C][C][C][=C]": 1217, + "[=N][Ring2][Ring1][#Branch2][=C][Ring2][Ring1][P]": 1218, + "[=N][O][Ring1][=Branch1]": 1219, + "[N][C][=N][C][Branch1][P][N][C][C][C][C][C]": 1220, + "[=C][Ring1][S]": 1221, + "[C][C][C@H1]": 1222, + "[Branch1][C][F][=C][Branch1][C][Cl]": 1223, + "[=N][C][Branch1][O][N][C][=C][C][=C][N][=C][Ring1][=Branch1]": 1224, + "[Branch2][=Branch1][Ring1]": 1225, + "[N][C][C][=N][N]": 1226, + "[Branch2][Branch1][#Branch2][C]": 1227, + "[Branch2][Branch1][O][C]": 1228, + "[=N][Ring2][Ring1][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring2][Ring2]": 1229, + "[=N][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy][C][=C][Ring2][Ring2][=Branch1]": 1230, + "[N][C][C][=N][C][=C][Branch1][Ring2][S]": 1231, + "[=N][C][Branch1][N][N][C][=N][N][=C]": 1232, + "[Ring2][Ring2][#Branch2]": 1233, + "[=N][Ring1][P]": 1234, + "[C][=C][Ring1][N][Ring1][=Branch1]": 1235, + "[N][C][=N][C][Branch2][Ring1][C][N][C][=C][C][=C]": 1236, + "[N][=C][Ring1][#Branch1][O]": 1237, + "[C][=C][Ring1][Branch2][N+1][=Branch1][C][=O][O-1]": 1238, + "[Branch1][C][C][C][=C][Ring1][Branch2][N+1][=Branch1][C][=O][O-1]": 1239, + "[=N][C][Branch2][Ring1][Ring2][N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2]": 1240, + "[N][C][=N][C][Branch2][Ring1][C][N][C][C][C][=Branch1][C][=O][N]": 1241, + "[N][C][=N][C][Branch1][O][N][C][C][=C][C]": 1242, + "[N][=Ring1][=Branch1]": 1243, + "[N][C][=N][C][Branch2][Ring1][=C]": 1244, + "[C][O][C][=C][C][=C][C][Branch1][C][F]": 1245, + "[N][C][=N][C][Branch2][Ring1][=Branch1][N][C][C][C]": 1246, + "[Branch2][Branch1][N][C]": 1247, + "[Ring2][Ring1][P]": 1248, + "[N][C][=N][C][Branch2][Ring1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C]": 1249, + "[N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][=C][C][=C]": 1250, + "[=N][C][Branch2][Ring1][C][N][C][C][C][C][C]": 1251, + "[N][C][=N][C][Branch1][S][N][C][C][Branch1][C][C]": 1252, + "[=N][C][Branch1][=C][N][C][=C][C][Branch1][C][Cl][=C]": 1253, + "[=N][C][Branch2][Ring1][Branch2][N][C][=C][C]": 1254, + "[Branch1][Ring1][O][C][=N][Ring1][Branch2]": 1255, + "[=C][Ring2][Ring2][C]": 1256, + "[=N][Ring2][Ring2][O]": 1257, + "[C][C@@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1]": 1258, + "[=N][C][Branch1][=C][N][C][=C][C][Branch1][C][C][=C]": 1259, + "[C][O][C][=C][C][=N][C]": 1260, + "[=N][Ring2][Ring1][=C][=C][Ring2][Ring2][=Branch2]": 1261, + "[N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][=C][N][C][=C]": 1262, + "[=N][C][Branch2][Ring1][Ring2][N][C][=C][N][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1]": 1263, + "[=N][C][Branch1][=C][N][C]": 1264, + "[=N][C][Branch1][#C][N][C][=N][C][=N][C]": 1265, + "[=N][C][Branch2][Ring1][Ring1][N][C][C]": 1266, + "[=C][Ring2][Ring2][O]": 1267, + "[N][C][=N][C][Branch1][=C][N][C][C][C][=N][C][=C]": 1268, + "[Branch1][C][C][N]": 1269, + "[=N][C][Branch2][Ring1][C][N][C][=N][NH1][C][=C][C]": 1270, + "[=N][Ring2][Ring1][O][=C][Ring2][Ring2][C][C][=Branch1][C][=O][N][Dy]": 1271, + "[N][C][C][Branch1][Branch1][O][C][C][O][C][C]": 1272, + "[=N][C][Branch1][S][N][C][=C][C][=C][C]": 1273, + "[Branch1][C][C][C][=C][Branch1][C][C]": 1274, + "[=N][C][Branch1][=C][N][C][=N][C][Branch1][C][Cl]": 1275, + "[N][C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C]": 1276, + "[N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][=N][C][Branch1][Branch2]": 1277, + "[N][C][=N][C][Branch1][#Branch2][N][C][C][=N][C][=C]": 1278, + "[=N][C][Branch1][S][N][C][C][=N]": 1279, + "[=N][C][Branch1][=C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]": 1280, + "[N][C][C][Branch1][C][O][C][C]": 1281, + "[C][=C][Branch1][C][Cl]": 1282, + "[=N][Ring2][Ring1][#Branch2][=C][Ring2][Ring1][P][C][=Branch1][C][=O][N][Dy]": 1283, + "[=N][C][Branch2][Ring1][Branch2][N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1]": 1284, + "[N][C][C][=C][O][C]": 1285, + "[N][C][=N][C][Branch1][S][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1]": 1286, + "[C@H1][Branch2][Ring2][P]": 1287, + "[=N][C][Branch1][P][N][C][=C][C]": 1288, + "[=N][Ring2][Ring2][C][C]": 1289, + "[C][N][C][=Branch1][C][=O][C]": 1290, + "[=N][Ring2][Ring1][=N][C][=Branch1][C][=O][N][Dy][C][=C][Ring2][Ring2][#Branch2]": 1291, + "[=N][C][Branch1][=C][N][C][=C][C]": 1292, + "[N][C][=N][C][Branch1][=C][N][C][C][C][=C][Branch1][C][C]": 1293, + "[N][C][=N][C][Branch1][Branch2]": 1294, + "[=N][C][Branch1][C][C][=C][Branch1][C][C][S][Ring1][#Branch1]": 1295, + "[=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1]": 1296, + "[=N][C][Branch2][Ring1][Ring2][N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1]": 1297, + "[N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C]": 1298, + "[C][C][S]": 1299, + "[C][C][C][C][Ring1][=Branch2]": 1300, + "[N][C][C][=C][C][Branch1][Ring1][O][C]": 1301, + "[=N][C][Branch1][O][N][C]": 1302, + "[=N][Ring2][Ring1][N][=C][Ring2][Ring2][Ring1][C][=Branch1][C][=O][N][Dy]": 1303, + "[N][C][=N][C][Branch2][Ring1][C][N][C][C][C][C]": 1304, + "[=N][C][Branch1][=N][N][C][C][=C]": 1305, + "[Branch1][C][C][N][=C][Ring1][#Branch1][Cl]": 1306, + "[Branch1][Branch2][C][=Branch1][C][=O]": 1307, + "[=N][Ring2][Ring1][=Branch2][=C][Ring2][Ring1]": 1308, + "[N][C][=N][C][Branch2][Ring1][C][N][C][C][=N][C][=C]": 1309, + "[N][=C][Ring1][O]": 1310, + "[C][C][=C][S][C][=Ring1][Branch1]": 1311, + "[Branch2][Ring2][#C][C]": 1312, + "[N][C][=N][C][Branch1][#Branch2][N][C][C][C][=C]": 1313, + "[N][Ring1][Branch1]": 1314, + "[=N][Ring2][Ring2][Ring2][C][=Branch1][C][=O][N][Dy]": 1315, + "[=N][C][Branch2][Ring1][=Branch1][N][C][=N][C][Branch1][N][C][=C][C][=C]": 1316, + "[N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][C][C]": 1317, + "[C@H1][Branch2][Ring2][S]": 1318, + "[N][C][=N][C][Branch1][S][N][C][C][C][C]": 1319, + "[N][C][=N][C][Branch1][C][Cl][=C][C]": 1320, + "[Branch1][Ring1][C][O]": 1321, + "[N][C][=C][C][=N][C][=C][Ring1][=Branch1]": 1322, + "[C][=C][Ring2][Ring2][Ring1]": 1323, + "[=N][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1]": 1324, + "[=N][C][Branch1][=C][N][C][=C][C][Branch1][C][Cl]": 1325, + "[C][C][C][O][C][Ring1][Branch1]": 1326, + "[N][C][=N][C][Branch1][#C][N][C][C][=C][C][=C]": 1327, + "[Branch1][C][O][=C]": 1328, + "[N][=C][Ring1][Branch2][Cl]": 1329, + "[=C][C][=Branch1][C][=O][N][Dy]": 1330, + "[=N][C][Branch1][=C][N][C][C][C][C]": 1331, + "[=N][C][Branch1][P][N][C][=C][Branch1][C][C][C][=C]": 1332, + "[Branch2][Branch1][=N][C]": 1333, + "[=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C]": 1334, + "[=N][Ring2][Ring1][=Branch2][=C][Ring2][Ring1][S][C][=Branch1][C][=O][N][Dy]": 1335, + "[=N][C][Branch1][#C][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1]": 1336, + "[N][C][=N][C][Branch1][P][N][C][C][C][C][C][C]": 1337, + "[Branch1][Ring1][O][C][C][C][C]": 1338, + "[N][C][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C]": 1339, + "[N][C][=N][C][Branch1][=Branch2][N][C][C]": 1340, + "[N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][=C][N][=C]": 1341, + "[=N][C][Branch2][Ring1][Ring2][N][C][C]": 1342, + "[Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2]": 1343, + "[Branch1][O][C]": 1344, + "[=N][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring2][Ring2]": 1345, + "[N][C][=N][C][Branch1][#C][N][C][C][=C][C]": 1346, + "[C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][Ring1]": 1347, + "[N][C][=N][C][Branch1][=N][N][C][C][Branch1][C][O][C][C]": 1348, + "[=Branch1][C][=O][O][C][C]": 1349, + "[N][C][C][C][C][=Branch1][C][=O][N]": 1350, + "[=N][Ring2][Ring1][N][C][=C]": 1351, + "[Branch1][C][O][=C][C]": 1352, + "[=N][C][Branch2][Ring1][Branch2][N][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1]": 1353, + "[N][C][=N][C][Branch1][=C][N][C][C][Branch1][Ring1][C][O][C][C]": 1354, + "[N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][Branch1][C][C]": 1355, + "[=N][Ring2][Ring1][#C][C][=Branch1][C][=O][N][Dy][C][=C][Ring2][Ring2]": 1356, + "[S][C][=Ring1][=Branch1][C]": 1357, + "[=N][C][Branch1][P][N][C][=C][C][=C]": 1358, + "[=N][Ring2][Ring1][O][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring2][Ring2][=Branch1]": 1359, + "[N][C][S][C][=C]": 1360, + "[=N][NH1][Ring1][#Branch2]": 1361, + "[=N][C][Branch1][=C][N][C][=C][C][=C][Branch1][C][O]": 1362, + "[NH1][Ring1][#Branch2]": 1363, + "[N][C][=N][C][Branch1][N][N][C][C]": 1364, + "[Branch1][C][C][O][Ring1][=Branch1]": 1365, + "[C][=C][S][C][=Ring1][Branch1][C]": 1366, + "[=N][Ring2][Ring1][=Branch1][C]": 1367, + "[=N][Ring2][Ring1][#Branch2][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring2][Ring2][Branch1]": 1368, + "[N][C][C@H1][C][C][=Branch1][C][=O][N]": 1369, + "[N][C][=N][C][Branch1][=N][N][C][C][=C][N][=C]": 1370, + "[=N][N][Ring1][Branch1][C][C]": 1371, + "[C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][C]": 1372, + "[O][C][=C][C][=C][Ring1][#Branch2]": 1373, + "[Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Ring1][#Branch2]": 1374, + "[=N][Ring2][Ring1][#Branch2][C]": 1375, + "[=N][C][Branch1][=N][N][C][=C][C][Branch1][C][Cl]": 1376, + "[C@H1][Branch2][Ring2][O]": 1377, + "[=N][C][Branch2][Ring1][Ring2][N][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1]": 1378, + "[=N][Ring2][Ring1][#C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring2][Ring2]": 1379, + "[=N][Ring2][Ring1][Branch2][=C][Ring2][Ring2][Ring1]": 1380, + "[C][=C][Ring2][Ring1][P]": 1381, + "[=N][Ring2][Ring1][#Branch1][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring2][Ring2]": 1382, + "[=N][C][Branch1][#C][N][C][C][=C][C]": 1383, + "[=N][Ring2][Ring1][=C][C][=Branch1][C][=O][N][Dy][C][=C][Ring2][Ring2][O]": 1384, + "[=N][Ring2][Ring1][=N][=C][Ring2][Ring2][Ring2][C][=Branch1][C][=O][N][Dy]": 1385, + "[=N][C][Branch1][=N][N][C][=N][C][=C][C]": 1386, + "[=N][S]": 1387, + "[C][S]": 1388, + "[N][C][C][S]": 1389, + "[N][C][=N][C][Branch1][O][N][C][C][O][C][C]": 1390, + "[Branch1][Ring1][C][#N][=C][Ring1][#Branch2]": 1391, + "[C][O][C][=C][N][=C][C]": 1392, + "[NH1][N][=C][Ring1][Branch1]": 1393, + "[N][C][=N][C][Branch1][C][C]": 1394, + "[=N][Ring2][Ring1][N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring2][Ring2][#Branch1]": 1395, + "[=N][Ring2][Ring2][Branch1][C][=Branch1][C][=O][N][Dy]": 1396, + "[Branch2][Ring2][P][C]": 1397, + "[N][C][=N][C][Branch1][=C][N][C][=C][C]": 1398, + "[C@H1][C][C@H1]": 1399, + "[N][=C][C][=C][C]": 1400, + "[=N][C][=Ring2]": 1401, + "[N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][Branch2]": 1402, + "[C][=C][NH1][C]": 1403, + "[N][C][=N][C][Branch1][=N][N][C][C][C][Branch1][C][C]": 1404, + "[N][C][=N][C][Branch2][Ring1][=Branch1][N][C][C][=C][C][=C]": 1405, + "[C][Branch1][C][C]": 1406, + "[O][C][C][=Branch1][C][=O][N][Dy]": 1407, + "[N][C][Branch1][Branch2]": 1408, + "[N][C][Branch1][Branch2][C][C][=Branch1][C][=O]": 1409, + "[N][C][Branch1][Branch2][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][Dy]": 1410, + "[=N][C][Branch2][Ring1][C][N][C][Branch1][Branch2][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][Dy]": 1411, + "[N][C][=C][N][=C][Ring1][Branch1]": 1412, + "[S][=Branch1][C][=O][C][C]": 1413, + "[Branch1][C][F][C][C]": 1414, + "[N][C][=N][C][Branch1][O][N][C][C][S]": 1415, + "[=Branch2][=C]": 1416, + "[=C][Ring2][Ring2][=Branch1]": 1417, + "[N][C][=N][C][Branch1][=C][N][C][=C][C][=C][C]": 1418, + "[N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C]": 1419, + "[=N][Ring2][Ring1][Branch2][=C][Ring2][Ring1]": 1420, + "[N][C][=N][C][Branch1][=C][N][C][=C][N][=C]": 1421, + "[=N][C][Branch1][=N][N][C][=C][N][=C][C]": 1422, + "[Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C]": 1423, + "[=N][C][Branch2][Ring1][Branch1][N][C][=C][C][Branch1][C][Cl][=C]": 1424, + "[N][C][=N][C][Branch1][=N][N][C][C][C][C]": 1425, + "[=N][C][Branch2][Ring1][C][N][C][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]": 1426, + "[C][=C][Ring2][Ring2][Branch1]": 1427, + "[=N][C][Branch2][Ring1][Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C]": 1428, + "[=N][Ring2][Ring1][O][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring2][Ring2][#Branch1]": 1429, + "[O][=C]": 1430, + "[N][C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][=C][C]": 1431, + "[N][C][C][C][O][C]": 1432, + "[C][C][Branch1][C][F][Branch1][C][F][F]": 1433, + "[N][C][=N][C][Branch1][N][N][C][=N][C]": 1434, + "[=N][Ring2][Ring1][=Branch2][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring2][Ring2][Ring2]": 1435, + "[=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1]": 1436, + "[=N][C][Branch2][Ring1][Branch2][N][C][=C][C][=C]": 1437, + "[=N][C][Branch1][S][N][C][=N][C]": 1438, + "[=N][C][Branch2][Ring1][=N][N][C@@H1][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1]": 1439, + "[=N][C][Branch2][Ring1][C][N][C][=C][C]": 1440, + "[=N][C][Branch2][Ring1][C][N][C][N][=C]": 1441, + "[N][=C][Ring1][#Branch1][O][C]": 1442, + "[=N][C][Branch1][S][N][C][=C][C][=Branch1][C][=O][NH1][C]": 1443, + "[=N][C][Branch2][Ring1][C][N][C][=N][C][Branch1][C][Cl][=C]": 1444, + "[C][=C][C][=C][C][=C][C][Ring1][=Branch1]": 1445, + "[=N][C][Branch1][N][N][C][C]": 1446, + "[=N][Ring2][Ring1][#Branch2][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring2][Ring2][=Branch1]": 1447, + "[O][Ring1][O]": 1448, + "[N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F]": 1449, + "[C][C][C][C][Ring1][Ring1]": 1450, + "[Branch1][C][N][=Branch1][C][=O][=O]": 1451, + "[=C][Ring2][Ring2][=Branch2]": 1452, + "[S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N]": 1453, + "[S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1]": 1454, + "[S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N]": 1455, + "[=N][C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][C][Cl][=C]": 1456, + "[=C][Branch1][C][C][S]": 1457, + "[N][C][C][C][Ring1][Ring2]": 1458, + "[=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2]": 1459, + "[N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C]": 1460, + "[O][C][Branch1][C][F][Branch1][C][F][F]": 1461, + "[O][C][Branch1][=Branch2]": 1462, + "[C][#C][C][O][C][=C][C][=C][C]": 1463, + "[C][=C][C][=C][Ring1][#Branch1][Cl]": 1464, + "[C][O][C][=C][C][=C][Branch2][Branch1][Branch2]": 1465, + "[C][O][C][=C][C][=C][Branch2][Branch1][#Branch1]": 1466, + "[N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl]": 1467, + "[N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][NH1][Ring1][#Branch1]": 1468, + "[S][C][=Branch1][C][=O][NH1]": 1469, + "[N][C][=N][C][Branch1][S][N][C][C][=C]": 1470, + "[Branch1][C][C][C][Ring1][Ring1]": 1471, + "[Ring1][=Branch1][=C]": 1472, + "[N][C][C][=C][C][=C][C][Branch1]": 1473, + "[S][=Branch1][C][=O][=Branch1][C][=O][C][C]": 1474, + "[=N][C][=N][C]": 1475, + "[N][C][=N][C][Branch2][Ring1][#Branch1][N][C][=C][C][=C]": 1476, + "[=N][C][Branch2][Ring1][C][N][C][C][=C]": 1477, + "[C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]": 1478, + "[N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][Branch1][C][F][F]": 1479, + "[O][C][Ring1][=Branch1][=O]": 1480, + "[N][C][S][C][=C][Branch1][=Branch1][C]": 1481, + "[N][C][S][C][=C][Branch1][=Branch1][C][=Ring1][Branch1][C][#N]": 1482, + "[N][C][S][C][=C][Branch1][=Branch1][C][=Ring1][Branch1][C][#N][C][C][C][C][Ring1][=Branch2]": 1483, + "[C][=C][Ring1][O][Ring1][=Branch1]": 1484, + "[C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1]": 1485, + "[=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1]": 1486, + "[N][C][Ring1][#Branch2][=O]": 1487, + "[C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O]": 1488, + "[Branch1][C][F][Branch1][C][F][C][C][C][Ring1][Ring1]": 1489, + "[N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F]": 1490, + "[N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C]": 1491, + "[N][C][C][=C][C][=C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1]": 1492, + "[N][C][C][=C][C][=C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][Ring1][=N]": 1493, + "[N][C][C][O][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O]": 1494, + "[N][C][C][O][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1]": 1495, + "[N][C][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1]": 1496, + "[N][C][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O]": 1497, + "[N][C][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][C][=N][C][=C][Ring1][=Branch1]": 1498, + "[C][=C][C][C][Ring1][Branch1]": 1499, + "[C][Branch1][C][F][=C][Ring1][=Branch2]": 1500, + "[Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][=Branch2]": 1501, + "[N][C][=C][C][=C][Branch1][C][F][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O]": 1502, + "[N][C][/C]": 1503, + "[N][C][/C][=C]": 1504, + "[N][C][/C][=C][/Br]": 1505, + "[N][=C][Ring1][Branch1][C][=Ring1][=Branch2]": 1506, + "[C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F]": 1507, + "[Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F]": 1508, + "[=N][S][N][=C][Ring1][Branch1][C][=Ring1][=Branch2]": 1509, + "[=Branch1][N][C][/C][=C][/Br]": 1510, + "[O][Ring1][Branch1][C][=C][Ring1][O]": 1511, + "[N][C][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C]": 1512, + "[N][C][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N]": 1513, + "[N][C][C][=C][N][Branch1][=Branch1][C]": 1514, + "[N][C][C][=C][N][Branch1][=Branch1][C][Branch1][C][F][F]": 1515, + "[N][C][C][=C][N][Branch1][=Branch1][C][Branch1][C][F][F][C][=C][C][=C]": 1516, + "[N][C][C][=C][N][Branch1][=Branch1][C][Branch1][C][F][F][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1]": 1517, + "[C][=C][N][=C][O][Ring1][Branch1][C][=C][Ring1][O]": 1518, + "[=Branch1][C][=O][N][C][C][N][C][C][O][C][C][Ring1][=Branch1]": 1519, + "[O][C][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1]": 1520, + "[O][C][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][O]": 1521, + "[N][C][C][C][O][C][C][Ring1][#Branch1]": 1522, + "[N][C][C][=C][N][=C][C][Branch1][C][F][=C][Ring1][#Branch1]": 1523, + "[N][C][C@@H1][C][C][C]": 1524, + "[N][C][C@@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1]": 1525, + "[Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][Br]": 1526, + "[Ring1][=Branch2][O]": 1527, + "[N][C][C][C][C][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2]": 1528, + "[N][C][C][C][C][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C]": 1529, + "[N][C][C][C][C][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][Ring1][=Branch2][O]": 1530, + "[Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=N][Ring1][N]": 1531, + "[N][C][C][C][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C]": 1532, + "[N][C][C][C][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N]": 1533, + "[C][=C][C][=C][O][Ring1][Branch1][=N][NH1][Ring1][#Branch2]": 1534, + "[Ring1][Branch1][C][=N][C][Branch1]": 1535, + "[Ring1][Branch1][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1]": 1536, + "[Ring1][Branch1][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][O][Ring1][Branch2]": 1537, + "[N][C][C@@H1][C][C][O][C@@H1]": 1538, + "[N][C][C@@H1][C][C][O][C@@H1][Ring1][Branch1][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][O][Ring1][Branch2]": 1539, + "[N][C][=C][C][=C][C][Branch1][C][Br]": 1540, + "[N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1]": 1541, + "[N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=N][O]": 1542, + "[N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=N][O][Ring1][N]": 1543, + "[Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=N][O][Ring1][N]": 1544, + "[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#Branch2]": 1545, + "[Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#Branch2]": 1546, + "[Ring1][Branch2][C][Ring1][Branch1]": 1547, + "[N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=N][NH1][Ring1][Branch1]": 1548, + "[N][C][=C][Branch1][Ring1][C][#N]": 1549, + "[N][C][=C][Branch1][Ring1][C][#N][C][C][C][Ring1][#Branch1]": 1550, + "[C][=C][C][Ring1][Branch2][C][Ring1][Branch1]": 1551, + "[Branch1][Ring1][C][O][C][C][C][=C][C][Ring1][Branch2][C][Ring1][Branch1]": 1552, + "[Ring1][N][=Ring1][Branch2]": 1553, + "[NH1][C][=Branch1][C][=O][C][Ring1][N][=Ring1][Branch2]": 1554, + "[C][C][=Branch1][C][=O][NH1]": 1555, + "[C][C][=Branch1][C][=O][NH1][NH1][C][=Branch1][C][=O][C][Ring1][N][=Ring1][Branch2]": 1556, + "[N][C][=C][C][=N][C][Ring1][=Branch1][=O]": 1557, + "[N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N]": 1558, + "[N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring1][#Branch1]": 1559, + "[N][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1]": 1560, + "[N][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2]": 1561, + "[N][C][=N][C][=C][O][Ring1][Branch1]": 1562, + "[N][C][=C][C][=C][Branch1][C][F][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1]": 1563, + "[N][C][=C][C][=C][Branch1][C][F][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2]": 1564, + "[NH1][C][=C][C][=C]": 1565, + "[NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1]": 1566, + "[N][C][=C][N][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1]": 1567, + "[NH1][Ring1][Branch1][C][=C][Ring1][O]": 1568, + "[Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F]": 1569, + "[Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][F]": 1570, + "[Branch1][Branch2][C][=N][C][=C]": 1571, + "[Branch1][Branch2][C][=N][C][=C][NH1][Ring1][Branch1][C][=C][Ring1][O]": 1572, + "[=C][C][Ring1][#Branch1]": 1573, + "[Ring1][=N][=O]": 1574, + "[Ring1][=Branch1][=C][C][=C][Ring1][N]": 1575, + "[Ring1][=Branch1][=C][C][=C][Ring1][N][N+1][=Branch1][C][=O][O-1]": 1576, + "[N][C][C][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][O][C][C][Ring1][#Branch1]": 1577, + "[N][C][C][Ring1][=Branch1][=C][C][=C][Ring1][N][N+1][=Branch1][C][=O][O-1]": 1578, + "[N][C][C][N][C][C][Ring1][=Branch1][=C][C][=C][Ring1][N][N+1][=Branch1][C][=O][O-1]": 1579, + "[N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1]": 1580, + "[N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][=N][C][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O][C]": 1581, + "[N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][=N][C][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O][C][Ring1][=N][=O]": 1582, + "[N][C][=C][C][Branch1][=Branch2]": 1583, + "[N][C][=C][C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][=C][C][=C][Ring1][N][N+1][=Branch1][C][=O][O-1]": 1584, + "[Branch1][C][O][C][C][C][Ring1][Branch2]": 1585, + "[Branch1][C][Cl][C][Branch1][C][F][=C][Ring1][Branch2]": 1586, + "[N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]": 1587, + "[N][C][C@H1][C][C][C@H1]": 1588, + "[N][C][C@H1][C][C][C@H1][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2]": 1589, + "[NH1][C][Ring1][#Branch2][=O]": 1590, + "[C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][Ring1][#Branch2][=O]": 1591, + "[N][=C][O][N][=Ring1][Branch1]": 1592, + "[=N][N][=C][Ring1][#Branch1][Cl]": 1593, + "[=Branch1][C][=O][C][C][Ring1][#Branch1]": 1594, + "[N][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][N][C][C][C][C][Ring1][Branch1]": 1595, + "[N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C]": 1596, + "[N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O]": 1597, + "[Branch1][C][F][Branch1][C][F][C][Branch1][C][N][=O]": 1598, + "[Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2]": 1599, + "[S][S][Ring1][=Branch1]": 1600, + "[Ring1][#Branch2][Ring1][=Branch1]": 1601, + "[N][C][C][C][C][N][Branch1][=C][C]": 1602, + "[N][C][C][C][C][N][Branch1][=C][C][=N][C][=N][C]": 1603, + "[N][C][C][C][C][N][Branch1][=C][C][=N][C][=N][C][NH1][N][=C][C][Ring1][=Branch2][=Ring1][Branch1]": 1604, + "[N][C][C][C][C][N][Branch1][=C][C][=N][C][=N][C][NH1][N][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]": 1605, + "[N][C][C][C][C][N][Branch1][=C][C][=N][C][=N][C][NH1][N][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C]": 1606, + "[N][=C][C][=Branch1][C][=O][NH1]": 1607, + "[N][=C][C][=Branch1][C][=O][NH1][C][=C][N][Ring1][#Branch2][Ring1][#Branch1]": 1608, + "[Branch1][C][S][S][Ring1][=Branch1]": 1609, + "[=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]": 1610, + "[N][C][Branch1][C][N][=O]": 1611, + "[S][Ring1][#Branch2][=Branch1][C][=O][=O]": 1612, + "[N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]": 1613, + "[N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O]": 1614, + "[N][C][=N][C][=C][C][Branch1][=Branch2]": 1615, + "[N][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1]": 1616, + "[N][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][N]": 1617, + "[N][=C][Ring1][=Branch1][Cl]": 1618, + "[C][Branch1][C][F][=C][Ring1][O]": 1619, + "[Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][Branch1][C][F][=C][Ring1][O]": 1620, + "[NH1][Ring1][=Branch1]": 1621, + "[Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][=Branch2]": 1622, + "[Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][N+1][=Branch1][C][=O][O-1]": 1623, + "[=C][C][=Branch1][C][=O][NH1][NH1][Ring1][=Branch1]": 1624, + "[S][C][=Ring1][Branch1][Ring1][=Branch2]": 1625, + "[N][C][C][O][C][C][C][C][=C]": 1626, + "[N][C][C][O][C][C][C][C][=C][S][C][=Ring1][Branch1][Ring1][=Branch2]": 1627, + "[C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1]": 1628, + "[C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2]": 1629, + "[Ring1][S][=Ring1][N]": 1630, + "[Ring1][N][=O][C][=C][Ring2][Ring1]": 1631, + "[Ring1][N][=O][C][=C][Ring2][Ring1][Ring1]": 1632, + "[O][C][Ring1][S][=Ring1][N]": 1633, + "[N][C][C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C]": 1634, + "[N][C][C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Ring1][N][=O][C][=C][Ring2][Ring1][Ring1]": 1635, + "[N][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Ring1][N][=O][C][=C][Ring2][Ring1][Ring1]": 1636, + "[N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F]": 1637, + "[N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=N]": 1638, + "[N][C][=C][C][=C][C][C][=Branch1][C][=O]": 1639, + "[N][C][=C][C][=C][C][C][=Branch1][C][=O][C][=C]": 1640, + "[N][C][=C][C][=C][C][C][=Branch1][C][=O][C][=C][Branch1][Branch2]": 1641, + "[N][C][=C][C][=C][C][C][=Branch1][C][=O][C][=C][Branch1][Branch2][C][N]": 1642, + "[N][C][=C][C][=C][C][C][=Branch1][C][=O][C][=C][Branch1][Branch2][C][N][=N][NH1]": 1643, + "[N][C][=C][C][=C][C][C][=Branch1][C][=O][C][=C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1]": 1644, + "[N][C][=C][C][=C][C][C][=Branch1][C][=O][C][=C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][O][C][Ring1][S][=Ring1][N]": 1645, + "[Branch1][C][F][Branch1][C][F][C][C][C][C][Ring1][Ring1]": 1646, + "[N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][C][C][Ring1][Branch1][=O]": 1647, + "[N][C][C][=C][C][=Branch1][C][=O][N][=C]": 1648, + "[N][C][C][=C][C][=Branch1][C][=O][N][=C][NH1][Ring1][#Branch1]": 1649, + "[N][C][=N][C][=N][Ring1][Branch1][=C][Ring1][O]": 1650, + "[N][C][=C][C][=N][C][=C][Ring1][=Branch1][Cl]": 1651, + "[=N][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][=C][Ring1][O]": 1652, + "[N][C][C][O][C][C][Ring1][=Branch1][=O]": 1653, + "[N][C][C][O][C][C][Ring1][=Branch1][=O][C][=C][Ring1][=N]": 1654, + "[N][C][=C][N][=C][C][=N][Ring1][=Branch1]": 1655, + "[NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2]": 1656, + "[C][C][C][C][Ring1][#Branch1][=O]": 1657, + "[C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1]": 1658, + "[C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][Ring1][O]": 1659, + "[Branch1][#Branch2][N][C][C][O][C][C][Ring1][=Branch1][=O][C][=C][Ring1][=N]": 1660, + "[=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1]": 1661, + "[O][C][Branch1][C][F][F][=C][Ring1][#Branch2]": 1662, + "[O][C][O][Ring1][Branch1]": 1663, + "[N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][O][Ring1][Branch1]": 1664, + "[N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F]": 1665, + "[S][C][=C][C][=Ring1][Branch1][C][Ring1][=Branch2][=O]": 1666, + "[N][C][=N][C][S][C][=C][C][=Ring1][Branch1][C][Ring1][=Branch2][=O]": 1667, + "[Branch1][C][Br][=C][Ring1][#Branch2]": 1668, + "[Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][C][Br][=C][Ring1][#Branch2]": 1669, + "[=Branch1][C][=O][C][C][C][Ring1][Branch2]": 1670, + "[O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2]": 1671, + "[N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N]": 1672, + "[Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2]": 1673, + "[S][=Branch1][C][=O][=Branch1][C][=O][C]": 1674, + "[S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][O]": 1675, + "[N][C][C][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1]": 1676, + "[N][C][C][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][N]": 1677, + "[N][C][C][Branch1][Branch1][O][C][C][O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][O]": 1678, + "[C][=C][C][=N][O][Ring1][Branch1]": 1679, + "[N][C][=C][N][=C][N][=C][Ring1][=Branch1]": 1680, + "[N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]": 1681, + "[N][C][C][N][C][=Branch1][C][=O][C][Ring1][#Branch1]": 1682, + "[O][C][=C][C][=C][C]": 1683, + "[O][C][=C][C][=C][C][Branch1][C][Cl]": 1684, + "[O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]": 1685, + "[O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl]": 1686, + "[N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][F]": 1687, + "[N][C][=C][C][=C][Branch1][C][Br]": 1688, + "[N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C]": 1689, + "[N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring1][N]": 1690, + "[N][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring1][N]": 1691, + "[Branch1][C][O][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl]": 1692, + "[N][C][=N][N][=C][S][Ring1][Branch1]": 1693, + "[Branch1][C][F][C][C][O][C][Ring1][=Branch1]": 1694, + "[Ring1][Ring2][C][C]": 1695, + "[Ring1][Ring2][C][C][Ring1][Ring2]": 1696, + "[Ring1][Ring2][C][C][Ring1][Ring2][Branch1][C][F][F]": 1697, + "[N][C][C][C][C][Branch1][Ring2][C]": 1698, + "[N][C][C][C][C][Branch1][Ring2][C][Ring1][Ring2][C][C][Ring1][Ring2][Branch1][C][F][F]": 1699, + "[NH1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1]": 1700, + "[C][C][Ring1][Branch1]": 1701, + "[Branch1][Ring1][C][#N][C][C][Ring1][Branch1]": 1702, + "[Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][N+1][=Branch1][C][=O][O-1]": 1703, + "[=N][C][=C][Ring1][=Branch1][C][#N]": 1704, + "[=Branch1][C][=O][N][C][Branch1][Ring1][C][#N][C][C][Ring1][Branch1]": 1705, + "[Ring1][Branch1][C][C][C][Ring1][=Branch1][Ring1][Ring1]": 1706, + "[O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2]": 1707, + "[=N][C][=C][Ring1][#Branch1][Cl]": 1708, + "[Ring1][O][Ring1][=Branch1]": 1709, + "[N][C][=C][C][=N][C][=N][Ring1][=Branch1]": 1710, + "[N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O]": 1711, + "[N][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O]": 1712, + "[C][=C][S][C][=Ring1][Branch1][C][Branch1][C][F][Branch1][C][F][F]": 1713, + "[C@@H1][N][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O]": 1714, + "[Branch1][C][O][C][=N][C][=C][C][=C]": 1715, + "[Branch1][C][O][C][=N][C][=C][C][=C][Ring1][O][Ring1][=Branch1]": 1716, + "[Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][=Branch2]": 1717, + "[Branch1][C][Br][=C][C][=C][Ring1][#Branch1][C][O]": 1718, + "[=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1]": 1719, + "[=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1]": 1720, + "[N][C][C][Ring1][#Branch1]": 1721, + "[N][C][=C][C][Branch1][C][Cl][=N][C][Branch1][C][Cl]": 1722, + "[N][C][=C][C][Branch1][C][Cl][=N][C][Branch1][C][Cl][=N][Ring1][Branch2]": 1723, + "[N][C][=C][C][=C][Branch1][C][F][C][Branch1][Ring1][C][#N][=C][Ring1][=Branch2]": 1724, + "[N][C][C][C][O][C][=Branch1][C][=O][N][Ring1][=Branch1]": 1725, + "[N][C][C][C][O][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][Ring1][=N]": 1726, + "[N][C][C][C@@H1]": 1727, + "[N][C][C][C@@H1][Branch1][C][O][C]": 1728, + "[N][C][C][C@@H1][Branch1][C][O][C][Ring1][=Branch1]": 1729, + "[N][C][=C][C][=C][Branch1][N][C][C][C][O][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][Ring1][=N]": 1730, + "[C][Branch1][C][F][=C][Ring1][#Branch2]": 1731, + "[Branch1][Branch2][C][=N][N][=N][NH1][Ring1][Branch1]": 1732, + "[Branch1][Branch2][C][=N][N][=N][NH1][Ring1][Branch1][C][=C][Ring1][O]": 1733, + "[Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][C][F][=C][Ring1][#Branch2]": 1734, + "[Branch1][=Branch1][C][Branch1][C][F][F][C][C][Ring1][=Branch2]": 1735, + "[O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][Cl]": 1736, + "[O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][Cl][=C][Ring1][N]": 1737, + "[Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][Cl][=C][Ring1][N]": 1738, + "[Ring1][Ring1][Ring1][=Branch1]": 1739, + "[O][C@H1][Ring1][Branch1]": 1740, + "[O][C@H1][Ring1][Branch1][C@H1][C][C@H1]": 1741, + "[O][C@H1][Ring1][Branch1][C@H1][C][C@H1][Ring1][Ring1][Ring1][=Branch1]": 1742, + "[N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C]": 1743, + "[N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F]": 1744, + "[N][C][C@@H1][C][C@@H1][O][C@H1][Ring1][Branch1][C@H1][C][C@H1][Ring1][Ring1][Ring1][=Branch1]": 1745, + "[O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1]": 1746, + "[C][C][C][Ring1][Ring1][C][Ring1][#Branch1]": 1747, + "[O][=C][C][=C][Ring1][=Branch1]": 1748, + "[O][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1]": 1749, + "[O][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Branch1][C][C][C]": 1750, + "[O][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Branch1][C][C][C][Ring1][O]": 1751, + "[=Branch1][O][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Branch1][C][C][C][Ring1][O]": 1752, + "[S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][O][C][C][Ring1][=Branch1]": 1753, + "[N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1]": 1754, + "[C][C][C][C][C][Ring1][#Branch1]": 1755, + "[Branch1][C][F][C][C][C][C][C][Ring1][#Branch1]": 1756, + "[N][C][C][=N][C][=C][C][=C][Ring1][=Branch1][F]": 1757, + "[Branch1][C][Cl][Cl]": 1758, + "[N][C][=C][N][=C][Branch1][C][Br][C][=N][Ring1][#Branch1]": 1759, + "[N][=C][O][C][Ring1][Branch1][=C][Ring1][=Branch2]": 1760, + "[Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][N+1][=Branch1][C][=O][O-1]": 1761, + "[Branch1][C][Cl][=C][Branch1][C][Cl][N][=C][Ring1][Branch2]": 1762, + "[N][C][C][C][C][F]": 1763, + "[N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][N]": 1764, + "[C][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1]": 1765, + "[Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][N]": 1766, + "[N][Ring1][Branch1][C][C][O][C][C][Ring1][#Branch1]": 1767, + "[N][C][C][=N][N][=C][N][Ring1][Branch1][C][C][O][C][C][Ring1][#Branch1]": 1768, + "[N][C][=Branch1][C]": 1769, + "[N][C][=Branch1][C][=N]": 1770, + "[N][C][=Branch1][C][=N][C][C][C][N]": 1771, + "[N][C][C][=C][Branch1][C][Br][C]": 1772, + "[N][C][C][=C][Branch1][C][Br][C][=N]": 1773, + "[N][C][C][=C][Branch1][C][Br][C][=N][C][=C][Ring1][#Branch1][Br]": 1774, + "[N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][Ring1][C][#N][=C][Ring1][=Branch2]": 1775, + "[S][C][Ring1][Ring2]": 1776, + "[S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1]": 1777, + "[N][C][C][C][C][S][C][Ring1][Ring2]": 1778, + "[N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1]": 1779, + "[NH1][C][Ring1][=Branch2][=Ring1][Branch1]": 1780, + "[C][C][=C][NH1][C][Ring1][=Branch2][=Ring1][Branch1]": 1781, + "[=N][C][Branch1][C][Cl][=N][Ring1][#Branch1]": 1782, + "[C][C][C][Branch1][C][F][Branch1][C][F][C]": 1783, + "[C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch2]": 1784, + "[Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N]": 1785, + "[S][Ring1][Branch2]": 1786, + "[Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][S][Ring1][Branch2]": 1787, + "[=Branch1][C][=O][C][S][Ring1][=Branch1]": 1788, + "[O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2]": 1789, + "[N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2]": 1790, + "[N][C][C][C][=Branch1][C][=O][N][C][C][N]": 1791, + "[N][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2]": 1792, + "[N][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C]": 1793, + "[N][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1]": 1794, + "[N][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N]": 1795, + "[S][C][=C][Ring1][Branch1][C][Branch1][C][F][Branch1][C][F][F]": 1796, + "[Ring1][=Branch1][C][Ring1][O]": 1797, + "[O][C][Branch1][Branch2]": 1798, + "[O][C][Branch1][Branch2][C][C][O][C][C]": 1799, + "[START]": 1800, + "[STOP]": 1801, + "[PAD]": 1802, + "[#C-1]": 1803, + "[#N+1]": 1804, + "[#NH0]": 1805, + "[#P]": 1806, + "[#Ring1]": 1807, + "[#Ring2]": 1808, + "[#S]": 1809, + "[-/Ring1]": 1810, + "[-/Ring2]": 1811, + "[-\\Ring1]": 1812, + "[-\\Ring2]": 1813, + "[/123I]": 1814, + "[/125I]": 1815, + "[/131I]": 1816, + "[/B-1]": 1817, + "[/B]": 1818, + "[/C+1]": 1819, + "[/C-1]": 1820, + "[/C@@H1]": 1821, + "[/C@@]": 1822, + "[/C@H1]": 1823, + "[/C@]": 1824, + "[/CH0]": 1825, + "[/CH1-1]": 1826, + "[/CH1]": 1827, + "[/CH2-1]": 1828, + "[/Cl]": 1829, + "[/F+1]": 1830, + "[/F]": 1831, + "[/I]": 1832, + "[/N+1]": 1833, + "[/N@@+1]": 1834, + "[/NH0]": 1835, + "[/NH1]": 1836, + "[/N]": 1837, + "[/O+1]": 1838, + "[/O-1]": 1839, + "[/OH0]": 1840, + "[/O]": 1841, + "[/P+1]": 1842, + "[/P@@H1]": 1843, + "[/P@@]": 1844, + "[/P@]": 1845, + "[/PH1]": 1846, + "[/P]": 1847, + "[/S+1]": 1848, + "[/S@+1]": 1849, + "[/S@@+1]": 1850, + "[/S@@]": 1851, + "[/S@]": 1852, + "[/SH1]": 1853, + "[/S]": 1854, + "[/SiH1]": 1855, + "[/SiH2]": 1856, + "[/SiH3]": 1857, + "[/Si]": 1858, + "[/Sn]": 1859, + "[11CH3]": 1860, + "[123I]": 1861, + "[124I]": 1862, + "[125I]": 1863, + "[127I]": 1864, + "[131I]": 1865, + "[135I]": 1866, + "[14CH2]": 1867, + "[14CH3]": 1868, + "[17F]": 1869, + "[17O]": 1870, + "[18F]": 1871, + "[18OH1]": 1872, + "[32P@@]": 1873, + "[32P@]": 1874, + "[32P]": 1875, + "[33P@]": 1876, + "[33P]": 1877, + "[35S]": 1878, + "[3H]": 1879, + "[76Br]": 1880, + "[=17O]": 1881, + "[=25O]": 1882, + "[=35S]": 1883, + "[=B]": 1884, + "[=CH0]": 1885, + "[=CH1]": 1886, + "[=N+1]": 1887, + "[=N-1]": 1888, + "[=NH0]": 1889, + "[=NH1+1]": 1890, + "[=O+1]": 1891, + "[=OH0]": 1892, + "[=P+1]": 1893, + "[=P@@H1]": 1894, + "[=P@@]": 1895, + "[=P@H1]": 1896, + "[=P@]": 1897, + "[=PH0]": 1898, + "[=PH1]": 1899, + "[=PH2]": 1900, + "[=P]": 1901, + "[=S+1]": 1902, + "[=S@+1]": 1903, + "[=S@@+1]": 1904, + "[=S@@H1]": 1905, + "[=S@@]": 1906, + "[=S@]": 1907, + "[=SH1]": 1908, + "[=SH2]": 1909, + "[=SiH1]": 1910, + "[=SiH2]": 1911, + "[=Si]": 1912, + "[=SnH1]": 1913, + "[=Sn]": 1914, + "[B-1]": 1915, + "[B@-1]": 1916, + "[B@@-1]": 1917, + "[B@@H1-1]": 1918, + "[B@H1-1]": 1919, + "[BH0]": 1920, + "[BH1-1]": 1921, + "[BH1]": 1922, + "[BH2-1]": 1923, + "[BH3-1]": 1924, + "[Br+1]": 1925, + "[Br+2]": 1926, + "[BrH0]": 1927, + "[C+1]": 1928, + "[C-1]": 1929, + "[CH0]": 1930, + "[CH1+1]": 1931, + "[CH1-1]": 1932, + "[CH1]": 1933, + "[CH2+1]": 1934, + "[CH2-1]": 1935, + "[CH2]": 1936, + "[CH3]": 1937, + "[Cl+1]": 1938, + "[Cl+2]": 1939, + "[Cl+3]": 1940, + "[ClH0]": 1941, + "[F+1]": 1942, + "[FH0]": 1943, + "[I+1]": 1944, + "[I+3]": 1945, + "[I]": 1946, + "[N-1]": 1947, + "[N@+1]": 1948, + "[N@@+1]": 1949, + "[N@@H1+1]": 1950, + "[N@@]": 1951, + "[N@]": 1952, + "[NH0]": 1953, + "[NH1+1]": 1954, + "[NH2]": 1955, + "[O+1]": 1956, + "[OH0]": 1957, + "[OH1]": 1958, + "[P+1]": 1959, + "[P@+1]": 1960, + "[P@@+1]": 1961, + "[P@@H1]": 1962, + "[P@@]": 1963, + "[P@H1]": 1964, + "[P@]": 1965, + "[PH0]": 1966, + "[PH1]": 1967, + "[PH2]": 1968, + "[PH4]": 1969, + "[S+1]": 1970, + "[S@+1]": 1971, + "[S@@+1]": 1972, + "[S@@H1]": 1973, + "[S@@]": 1974, + "[S@H1]": 1975, + "[S@]": 1976, + "[SH0]": 1977, + "[SH1]": 1978, + "[SH2]": 1979, + "[SH3]": 1980, + "[Si-1]": 1981, + "[Si@@H1]": 1982, + "[Si@@]": 1983, + "[Si@H1]": 1984, + "[Si@]": 1985, + "[SiH1-1]": 1986, + "[SiH1]": 1987, + "[SiH2]": 1988, + "[SiH3]": 1989, + "[Sn+1]": 1990, + "[Sn+2]": 1991, + "[Sn+3]": 1992, + "[Sn-1]": 1993, + "[Sn@@H1]": 1994, + "[SnH1]": 1995, + "[SnH2+1]": 1996, + "[SnH2]": 1997, + "[SnH3]": 1998, + "[SnH4+2]": 1999, + "[SnH6+3]": 2000, + "[Sn]": 2001, + "[\\123I]": 2002, + "[\\125I]": 2003, + "[\\3H]": 2004, + "[\\B-1]": 2005, + "[\\B]": 2006, + "[\\Br]": 2007, + "[\\C+1]": 2008, + "[\\C-1]": 2009, + "[\\C@@H1]": 2010, + "[\\C@@]": 2011, + "[\\C@H1]": 2012, + "[\\C@]": 2013, + "[\\CH0]": 2014, + "[\\CH1-1]": 2015, + "[\\CH1]": 2016, + "[\\CH2-1]": 2017, + "[\\C]": 2018, + "[\\Cl]": 2019, + "[\\F]": 2020, + "[\\I]": 2021, + "[\\N+1]": 2022, + "[\\NH0]": 2023, + "[\\NH1]": 2024, + "[\\N]": 2025, + "[\\O-1]": 2026, + "[\\OH1]": 2027, + "[\\O]": 2028, + "[\\P+1]": 2029, + "[\\P@@H1]": 2030, + "[\\P@@]": 2031, + "[\\P@H1]": 2032, + "[\\P@]": 2033, + "[\\PH1]": 2034, + "[\\P]": 2035, + "[\\S+1]": 2036, + "[\\S@+1]": 2037, + "[\\S@@+1]": 2038, + "[\\S@@]": 2039, + "[\\S@]": 2040, + "[\\SH1]": 2041, + "[\\S]": 2042, + "[\\SiH1]": 2043, + "[\\SiH2]": 2044, + "[\\SiH3]": 2045, + "[\\Si]": 2046, + "[\\Sn]": 2047, + "[END]": 2048, + "[UNK]": 2049, + "[CLS]": 2050, + "[SEP]": 2051, + "[MASK]": 2052, + "[REG]": 2053, + "[2H]": 2054, + "[H]": 2055, + "[Se]": 2056, + "[Branch3]": 2057, + "[/H]": 2058, + "[Ge]": 2059, + "[As]": 2060, + "[PH1+1]": 2061, + "[13C]": 2062, + "[Te]": 2063, + "[13CH2]": 2064, + "[Ring3]": 2065, + "[\\H]": 2066, + "[S-1]": 2067, + "[=C-1]": 2068, + "[13CH1]": 2069, + "[=Se]": 2070, + "[=13CH1]": 2071, + "[C-2]": 2072, + "[13CH3]": 2073, + "[Hg]": 2074, + "[=13C]": 2075, + "[Sb]": 2076, + "[15NH1]": 2077, + "[=C+1]": 2078, + "[15N]": 2079, + "[NH2+1]": 2080, + "[14C]": 2081, + "[CH1-2]": 2082, + "[=PH1+1]": 2083, + "[NH1-1]": 2084, + "[In]": 2085, + "[Pb]": 2086, + "[Bi]": 2087, + "[13C@H1]": 2088, + "[13C@@H1]": 2089, + "[SeH1]": 2090, + "[\\Se]": 2091, + "[=As]": 2092, + "[15NH2]": 2093, + "[/2H]": 2094, + "[14CH1]": 2095, + "[Al]": 2096, + "[I-1]": 2097, + "[=14CH1]": 2098, + "[C-3]": 2099, + "[=15N]": 2100, + "[/Se]": 2101, + "[=Branch3]": 2102, + "[=Pt]": 2103, + "[OH1+1]": 2104, + "[Ga]": 2105, + "[Se-1]": 2106, + "[=14C]": 2107, + "[=18O]": 2108, + "[N-2]": 2109, + "[Hg+1]": 2110, + "[TlH2]": 2111, + "[\\2H]": 2112, + "[Se+1]": 2113, + "[10B]": 2114, + "[As+1]": 2115, + "[AsH1]": 2116, + "[GeH1]": 2117, + "[AlH2]": 2118, + "[=Te]": 2119, + "[GeH2]": 2120, + "[Po]": 2121, + "[11C]": 2122, + "[18O]": 2123, + "[/BH0]": 2124, + "[/13CH1]": 2125, + "[\\C-2]": 2126, + "[19F]": 2127, + "[=Ge]": 2128, + "[11B]": 2129, + "[1H]": 2130, + "[#O+1]": 2131, + "[At]": 2132, + "[GeH3]": 2133, + "[\\Te]": 2134, + "[Te+1]": 2135, + "[\\BH0]": 2136, + "[=BH0]": 2137, + "[#13C]": 2138, + "[Tl]": 2139, + "[AsH2]": 2140, + "[14C@H1]": 2141, + "[#Si]": 2142, + "[14C@@H1]": 2143, + "[=Ring3]": 2144, + "[/Te]": 2145, + "[15N+1]": 2146, + "[=Sb]": 2147, + "[10BH2]": 2148, + "[13C@@]": 2149, + "[/13C]": 2150, + "[=Se+1]": 2151, + "[/As]": 2152, + "[SH1+1]": 2153, + "[PH2+1]": 2154, + "[\\N-1]": 2155, + "[11CH2]": 2156, + "[BiH2]": 2157, + "[TeH1]": 2158, + "[13C@]": 2159, + "[#SH1]": 2160, + "[=11C]": 2161, + "[/N-1]": 2162, + "[12C]": 2163, + "[I+2]": 2164, + "[16OH1]": 2165, + "[=13CH2]": 2166, + "[Al+2]": 2167, + "[=In]": 2168, + "[P-1]": 2169, + "[/Ge]": 2170, + "[#P+1]": 2171, + "[=B-1]": 2172, + "[NH3+1]": 2173, + "[Li]": 2174, + "[Bi+2]": 2175, + "[InH1]": 2176, + "[SbH1]": 2177, + "[\\CH1-2]": 2178, + "[In+1]": 2179, + "[Xe]": 2180, + "[=W]": 2181, + "[InH2]": 2182, + "[\\Ge]": 2183, + "[/C-2]": 2184, + "[/3H]": 2185, + "[=In+1]": 2186, + "[PH1-1]": 2187, + "[Si+1]": 2188, + "[211At]": 2189, + "[Na]": 2190, + "[Ba]": 2191, + "[/I+1]": 2192, + "[Sb+1]": 2193, + "[16O]": 2194, + "[P-2]": 2195, + "[Pb+3]": 2196, + "[/NH1+1]": 2197, + "[17OH1]": 2198, + "[Ca]": 2199, + "[Bi+1]": 2200, + "[=Bi]": 2201, + "[\\13CH2]": 2202, + "[#15N]": 2203, + "[/13CH2]": 2204, + "[\\I+1]": 2205, + "[XeH1]": 2206, + "[\\S-1]": 2207, + "[=GeH1]": 2208, + "[=S-1]": 2209, + "[=SeH1]": 2210, + "[BiH1]": 2211, + "[Pb+1]": 2212, + "[SbH2]": 2213, + "[11CH1]": 2214, + "[K]": 2215, + "[Sb-1]": 2216, + "[Si-2]": 2217, + "[Pt]": 2218, + "[=AsH1]": 2219, + "[#14C]": 2220, + "[/15N]": 2221, + "[/S-1]": 2222, + "[12CH3]": 2223, + "[77Br]": 2224, + "[\\Hg]": 2225, + "[IH1-1]": 2226, + "[12CH1]": 2227, + "[=SH0]": 2228, + "[Tl+2]": 2229, + "[12CH2]": 2230, + "[=15NH1]": 2231, + "[Ga-1]": 2232, + "[35Cl]": 2233, + "[/NH2+1]": 2234, + "[Ga+1]": 2235, + "[Mg]": 2236, + "[#11C]": 2237, + "[GaH2]": 2238, + "[37Cl]": 2239, + "[=15N+1]": 2240, + "[PoH1]": 2241, + "[U]": 2242, + "[=Pd]": 2243, + "[Al+1]": 2244, + "[\\As]": 2245, + "[18O-1]": 2246, + "[=U]": 2247, + "[\\OH0]": 2248, + "[=12C]": 2249, + "[In+2]": 2250, + "[#B]": 2251, + "[14N]": 2252, + "[=16O]": 2253, + "[PbH1]": 2254, + "[Be]": 2255, + "[/14CH1]": 2256, + "[/Hg]": 2257, + "[=Tl]": 2258, + "[#13CH1]": 2259, + "[As@]": 2260, + "[\\13CH3]": 2261, + "[/PH1+1]": 2262, + "[Al-1]": 2263, + "[Mg+1]": 2264, + "[16N]": 2265, + "[OH2+1]": 2266, + "[TlH1]": 2267, + "[=10B]": 2268, + "[Pb+2]": 2269, + "[Sr]": 2270, + "[\\NH1+1]": 2271, + "[AlH1]": 2272, + "[14NH1]": 2273, + "[=12CH1]": 2274, + "[=Pb]": 2275, + "[#Ge]": 2276, + "[#Se]": 2277, + "[/Pb]": 2278, + "[=Au+1]": 2279, + "[Fe]": 2280, + "[Ge@@]": 2281, + "[=14N]": 2282, + "[=V]": 2283, + "[As@@]": 2284, + "[\\Pb]": 2285, + "[/Sn+1]": 2286, + "[10BH1]": 2287, + "[\\NH1-1]": 2288, + "[Ra]": 2289, + "[Tl+1]": 2290, + "[#C+1]": 2291, + "[=Ga]": 2292, + "[Ga+2]": 2293, + "[=GeH2]": 2294, + "[=Mg]": 2295, + "[=NH2+1]": 2296, + "[GaH1]": 2297, + "[\\13C]": 2298, + "[13NH2]": 2299, + "[Ge@]": 2300, + "[#U]": 2301, + "[/TlH2]": 2302, + "[=AsH2]": 2303, + "[=Ni]": 2304, + "[=Yb]": 2305, + "[\\In]": 2306, + "[#CH0]": 2307, + "[=Ca]": 2308, + "[/CH1-2]": 2309, + "[10B-1]": 2310, + "[34S]": 2311, + "[=P-1]": 2312, + "[/N-2]": 2313, + "[80Br]": 2314, + "[Pr]": 2315, + "[/14C]": 2316, + "[14NH2]": 2317, + "[=11CH1]": 2318, + "[=14CH2]": 2319, + "[=Hg]": 2320, + "[\\13CH1]": 2321, + "[=CH1-1]": 2322, + "[=Co]": 2323, + "[=SH1+1]": 2324, + "[=Te+1]": 2325, + "[In-1]": 2326, + "[#Branch3]": 2327, + "[#S+1]": 2328, + "[=Fe]": 2329, + "[=Tm]": 2330, + "[PbH2]": 2331, + "[#SiH1]": 2332, + "[/Sb]": 2333, + "[14C@]": 2334, + "[=Si-1]": 2335, + "[\\O+1]": 2336, + "[\\Sb]": 2337, + "[/C-3]": 2338, + "[/NH1-1]": 2339, + "[75Se]": 2340, + "[82Br]": 2341, + "[=Cu]": 2342, + "[Rb]": 2343, + "[/13C@@H1]": 2344, + "[/13C@H1]": 2345, + "[12C@@H1]": 2346, + "[Cs]": 2347, + "[W]": 2348, + "[\\Se+1]": 2349, + "[#13C-1]": 2350, + "[#Te]": 2351, + "[/Si-1]": 2352, + "[=Cr]": 2353, + "[=Eu]": 2354, + "[=SbH1]": 2355, + "[As-1]": 2356, + "[Th]": 2357, + "[\\C-3]": 2358, + "[#S-1]": 2359, + "[/10B]": 2360, + "[/13CH3]": 2361, + "[14C@@]": 2362, + "[16NH1]": 2363, + "[16NH2]": 2364, + "[=Ba]": 2365, + "[=OH1+1]": 2366, + "[=Ru+2]": 2367, + "[=Sb+1]": 2368, + "[#As]": 2369, + "[#Sn]": 2370, + "[/Bi]": 2371, + "[/GeH1]": 2372, + "[35SH1]": 2373, + "[=34S]": 2374, + "[=As+1]": 2375, + "[=Ru+4]": 2376, + "[PbH3]": 2377, + "[SH2+1]": 2378, + "[#15N+1]": 2379, + "[/1H]": 2380, + "[75Br]": 2381, + "[=Ce]": 2382, + "[AlH3]": 2383, + "[BH4-2]": 2384, + "[Te@@]": 2385, + "[Te@]": 2386, + "[/18F]": 2387, + "[/In]": 2388, + "[13OH1]": 2389, + "[36Cl]": 2390, + "[=Rh]": 2391, + "[=SnH2]": 2392, + "[AtH1]": 2393, + "[Br+3]": 2394, + "[PH3+1]": 2395, + "[Sm]": 2396, + "[\\N-2]": 2397, + "[\\PH1+1]": 2398, + "[\\TlH2]": 2399, + "[/Tl]": 2400, + "[121I]": 2401, + "[15O]": 2402, + "[79Br]": 2403, + "[=Ag]": 2404, + "[=Mo]": 2405, + "[=Rh+1]": 2406, + "[=Sn+2]": 2407, + "[Au+1]": 2408, + "[Cr]": 2409, + "[Eu]": 2410, + "[Mn]": 2411, + "[Tb]": 2412, + "[TeH2]": 2413, + "[V]": 2414, + "[\\CH2]": 2415, + "[/Ga]": 2416, + "[12C@H1]": 2417, + "[13N]": 2418, + "[15C]": 2419, + "[15N-1]": 2420, + "[16N+1]": 2421, + "[77Se]": 2422, + "[=U+2]": 2423, + "[Ce]": 2424, + "[Gd]": 2425, + "[Mo]": 2426, + "[Ni]": 2427, + "[P@H1+1]": 2428, + "[Pd]": 2429, + "[Yb]": 2430, + "[\\Ga]": 2431, + "[\\Hg+1]": 2432, + "[#Sb]": 2433, + "[/14CH2]": 2434, + "[/CH2]": 2435, + "[/I-1]": 2436, + "[13C-1]": 2437, + "[=15O]": 2438, + "[=Bi+1]": 2439, + "[=InH1]": 2440, + "[Ca+1]": 2441, + "[Co]": 2442, + "[La]": 2443, + "[Pu]": 2444, + "[Tm]": 2445, + "[#Ce]": 2446, + "[/11C]": 2447, + "[122I]": 2448, + "[=C-2]": 2449, + "[=Sr]": 2450, + "[=Zr+2]": 2451, + "[Er]": 2452, + "[Ho]": 2453, + "[IH1+1]": 2454, + "[Np]": 2455, + "[P@@H1+1]": 2456, + "[Se@@]": 2457, + "[Se@]": 2458, + "[SiH1-2]": 2459, + "[SiH2+1]": 2460, + "[\\14CH1]": 2461, + "[#GeH1]": 2462, + "[#Sm]": 2463, + "[/76Br]": 2464, + "[/Hg+1]": 2465, + "[/N@+1]": 2466, + "[/SH0]": 2467, + "[10BH1-1]": 2468, + "[119Sn]": 2469, + "[11C@H1]": 2470, + "[125Te]": 2471, + "[12C@@]": 2472, + "[13NH1]": 2473, + "[17O-1]": 2474, + "[19C]": 2475, + "[201Hg]": 2476, + "[28Si]": 2477, + "[76As]": 2478, + "[81Br]": 2479, + "[=33S]": 2480, + "[=Os]": 2481, + "[=TeH1]": 2482, + "[=Th]": 2483, + "[=Xe]": 2484, + "[=Zn]": 2485, + "[Hg-1]": 2486, + "[Hg-2]": 2487, + "[Lu]": 2488, + "[Nd]": 2489, + "[Se@+1]": 2490, + "[Ti]": 2491, + "[V+2]": 2492, + "[\\Bi]": 2493, + "[\\NH2+1]": 2494, + "[\\Sn+1]": 2495, + "[#14N]": 2496, + "[#Er]": 2497, + "[#Eu]": 2498, + "[#Lu]": 2499, + "[#NH1+1]": 2500, + "[#SH2]": 2501, + "[#Si-1]": 2502, + "[#Tb]": 2503, + "[#Tm]": 2504, + "[/15N+1]": 2505, + "[/35Cl]": 2506, + "[/Po]": 2507, + "[/Se+1]": 2508, + "[/SnH3]": 2509, + "[11C@@H1]": 2510, + "[121Sb]": 2511, + "[13C+1]": 2512, + "[14O]": 2513, + "[15OH1]": 2514, + "[197Hg]": 2515, + "[34SH1]": 2516, + "[=15N-1]": 2517, + "[=33P]": 2518, + "[=BH1-1]": 2519, + "[=Pr]": 2520, + "[=SeH2]": 2521, + "[=Th+2]": 2522, + "[=Zr]": 2523, + "[BiH3]": 2524, + "[Cu]": 2525, + "[Pm]": 2526, + "[Re]": 2527, + "[Rh]": 2528, + "[Ru+2]": 2529, + "[SeH2]": 2530, + "[Si-3]": 2531, + "[Ti+2]": 2532, + "[V+3]": 2533, + "[W+1]": 2534, + "[\\15NH1]": 2535, + "[#11C-1]": 2536, + "[#Gd]": 2537, + "[#Ho]": 2538, + "[#In]": 2539, + "[#La]": 2540, + "[#Mo+1]": 2541, + "[#Th]": 2542, + "[#Yb]": 2543, + "[/124I]": 2544, + "[/AsH2]": 2545, + "[/SnH1]": 2546, + "[/Te+1]": 2547, + "[111In]": 2548, + "[11C-1]": 2549, + "[15CH2]": 2550, + "[18C]": 2551, + "[203Hg]": 2552, + "[20CH3]": 2553, + "[32S]": 2554, + "[74Se]": 2555, + "[=125Te]": 2556, + "[=14NH1]": 2557, + "[=Al]": 2558, + "[=AsH3]": 2559, + "[=BiH1]": 2560, + "[=Hf+2]": 2561, + "[=Mn]": 2562, + "[=Ru+1]": 2563, + "[=Si+1]": 2564, + "[=XeH1]": 2565, + "[AlH5]": 2566, + "[Am]": 2567, + "[As-2]": 2568, + "[AsH3]": 2569, + "[Au]": 2570, + "[B+1]": 2571, + "[Bi-1]": 2572, + "[Cm]": 2573, + "[Ge@H1]": 2574, + "[Os]": 2575, + "[Re+1]": 2576, + "[V+1]": 2577, + "[W+2]": 2578, + "[W+4]": 2579, + "[Zn]": 2580, + "[\\13C@@H1]": 2581, + "[\\CH1+1]": 2582, + "[\\GaH2]": 2583, + "[\\GeH2]": 2584, + "[\\I-1]": 2585, + "[#18O+1]": 2586, + "[#Bi]": 2587, + "[#Dy]": 2588, + "[#Ga]": 2589, + "[#Nd]": 2590, + "[#Pr]": 2591, + "[#Tl]": 2592, + "[#W+1]": 2593, + "[/14C@@H1]": 2594, + "[/As+1]": 2595, + "[/PH0]": 2596, + "[/Pb+2]": 2597, + "[/Pb+3]": 2598, + "[/Se-1]": 2599, + "[/SeH1]": 2600, + "[10CH2]": 2601, + "[10CH3]": 2602, + "[10C]": 2603, + "[11B-1]": 2604, + "[129I]": 2605, + "[12C-1]": 2606, + "[13C-2]": 2607, + "[14C-1]": 2608, + "[14N+1]": 2609, + "[16O-1]": 2610, + "[17NH1]": 2611, + "[197Hg+1]": 2612, + "[19CH2]": 2613, + "[20C]": 2614, + "[32Cl]": 2615, + "[68Ga]": 2616, + "[75Ge]": 2617, + "[8B]": 2618, + "[9C]": 2619, + "[=14N+1]": 2620, + "[=14O]": 2621, + "[=32P]": 2622, + "[=32S]": 2623, + "[=76As]": 2624, + "[=Mo+2]": 2625, + "[=Nb]": 2626, + "[=Pr+1]": 2627, + "[=SiH2+1]": 2628, + "[=Tb]": 2629, + "[=TeH2]": 2630, + "[=Tl+1]": 2631, + "[=TlH1]": 2632, + "[=V+2]": 2633, + "[Ba+1]": 2634, + "[Bi+3]": 2635, + "[Cu+1]": 2636, + "[Fr]": 2637, + "[Mo+1]": 2638, + "[Mo+2]": 2639, + "[Ni+2]": 2640, + "[Pa]": 2641, + "[Rh+1]": 2642, + "[Ru+1]": 2643, + "[Ru+4]": 2644, + "[Ru]": 2645, + "[SH1-1]": 2646, + "[Si+2]": 2647, + "[Sr+1]": 2648, + "[Y]": 2649, + "[Zr+1]": 2650, + "[Zr+2]": 2651, + "[\\14CH2]": 2652, + "[\\14CH3]": 2653, + "[\\14C]": 2654, + "[\\AsH1]": 2655, + "[\\BiH1]": 2656, + "[\\GeH1]": 2657, + "[\\IH1-1]": 2658, + "[\\Tl]": 2659 + }, + "unk_token": "[UNK]" + } +} \ No newline at end of file