Upload 5 files
Browse files
    	
        ppo_checkpoints/model_step_4500/config.json
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            {
         
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              "architectures": [
         
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                "ChemQ3MTPForCausalLM"
         
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              ],
         
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              "attention_dropout": 0.1,
         
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              "bos_token_id": 0,
         
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              "dtype": "float32",
         
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              "entropy_controller_config": {
         
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                "adaptation_rate": 0.01,
         
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                "max_entropy": 3.0,
         
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| 11 | 
         
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                "min_entropy": 0.5,
         
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                "target_entropy": 1.5
         
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              },
         
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              "eos_token_id": 1,
         
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              "head_dim": 64,
         
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              "hidden_act": "silu",
         
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              "hidden_size": 320,
         
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              "horizon_weights": [
         
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                1.0,
         
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                0.9,
         
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                0.81
         
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              ],
         
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              "initializer_range": 0.02,
         
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              "intermediate_size": 1280,
         
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              "layer_types": [
         
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                "full_attention",
         
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                "full_attention",
         
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                "full_attention",
         
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                "full_attention",
         
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                "full_attention",
         
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                "full_attention"
         
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              ],
         
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              "max_position_embeddings": 128,
         
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              "max_window_layers": 28,
         
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              "model_type": "chemq3_mtp",
         
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| 36 | 
         
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              "num_attention_heads": 4,
         
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| 37 | 
         
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              "num_future_tokens": 3,
         
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| 38 | 
         
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              "num_hidden_layers": 6,
         
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              "num_key_value_heads": 2,
         
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| 40 | 
         
            +
              "pad_token_id": 2,
         
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| 41 | 
         
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              "rms_norm_eps": 1e-06,
         
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| 42 | 
         
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              "rope_scaling": null,
         
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              "rope_theta": 10000.0,
         
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              "sliding_window": null,
         
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              "tie_word_embeddings": true,
         
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              "transformers_version": "4.56.1",
         
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              "use_cache": false,
         
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              "use_mtp_training": true,
         
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              "use_sliding_window": false,
         
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              "vocab_size": 782
         
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            }
         
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        ppo_checkpoints/model_step_4500/generation_config.json
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            {
         
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              "_from_model_config": true,
         
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              "bos_token_id": 0,
         
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              "eos_token_id": [
         
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                1
         
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              ],
         
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              "pad_token_id": 2,
         
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              "transformers_version": "4.56.1",
         
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              "use_cache": false
         
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            +
            }
         
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        ppo_checkpoints/model_step_4500/model.safetensors
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            version https://git-lfs.github.com/spec/v1
         
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            oid sha256:56f493393f65839422e808ecdcc75ac8043d1e50e355237379e9d388a5fdd02e
         
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            size 39437252
         
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        ppo_checkpoints/model_step_4500/tokenizer_config.json
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            {
         
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              "tokenizer_class": "FastChemTokenizerSelfies",
         
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              "model_max_length": 512,
         
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              "padding_side": "right",
         
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              "truncation_side": "right",
         
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              "special_tokens": {
         
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                "bos_token": "<s>",
         
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                "eos_token": "</s>",
         
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                "pad_token": "<pad>",
         
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                "unk_token": "<unk>",
         
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                "mask_token": "<mask>"
         
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              }
         
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            }
         
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        ppo_checkpoints/model_step_4500/vocab.json
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         | 
|
| 1 | 
         
            +
            {
         
     | 
| 2 | 
         
            +
              "<s>": 0,
         
     | 
| 3 | 
         
            +
              "</s>": 1,
         
     | 
| 4 | 
         
            +
              "<pad>": 2,
         
     | 
| 5 | 
         
            +
              "<unk>": 3,
         
     | 
| 6 | 
         
            +
              "<mask>": 4,
         
     | 
| 7 | 
         
            +
              "[C] [C] [C@H1] [Branch1] [C] [C] [C@H1] [Branch2]": 5,
         
     | 
| 8 | 
         
            +
              "[C] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O]": 6,
         
     | 
| 9 | 
         
            +
              "[C] [C] [Branch1] [C] [C] [C] [C@H1] [Branch2]": 7,
         
     | 
| 10 | 
         
            +
              "[C] [O] [C] [=C] [C] [=C] [Branch2] [Branch1]": 8,
         
     | 
| 11 | 
         
            +
              "[O] [=C] [Branch2] [Ring1] [#Branch1] [N] [C]": 9,
         
     | 
| 12 | 
         
            +
              "[O] [=C] [Branch1] [C] [O] [C] [Branch1] [C]": 10,
         
     | 
| 13 | 
         
            +
              "[O] [=C] [Branch2] [Ring1] [Branch1] [N] [C]": 11,
         
     | 
| 14 | 
         
            +
              "[C] [O] [C] [=C] [C] [=C] [Branch2] [Ring2]": 12,
         
     | 
| 15 | 
         
            +
              "[C] [C] [Branch1] [C] [C] [Branch1] [C] [C]": 13,
         
     | 
| 16 | 
         
            +
              "[C] [O] [C] [=C] [C] [=C] [Branch2] [Ring1]": 14,
         
     | 
| 17 | 
         
            +
              "[O] [=C] [Branch1] [Ring2] [O] [C] [C] [C]": 15,
         
     | 
| 18 | 
         
            +
              "[O] [=C] [Branch2] [Ring1] [Ring2] [N] [C]": 16,
         
     | 
| 19 | 
         
            +
              "[C] [C] [Branch1] [C] [C] [C@H1] [Branch2]": 17,
         
     | 
| 20 | 
         
            +
              "[O] [=C] [Branch1] [Ring1] [O] [C] [C] [C]": 18,
         
     | 
| 21 | 
         
            +
              "[O] [=C] [Branch2] [Ring1] [Ring1] [N] [C]": 19,
         
     | 
| 22 | 
         
            +
              "[C] [C] [N] [Branch1] [Ring1] [C] [C] [C]": 20,
         
     | 
| 23 | 
         
            +
              "[O] [=C] [Branch1] [#Branch2] [N] [C] [C]": 21,
         
     | 
| 24 | 
         
            +
              "[O] [=C] [Branch1] [C] [O] [C] [Branch2]": 22,
         
     | 
| 25 | 
         
            +
              "[N] [#C] [C] [=C] [C] [=C] [C] [Branch2]": 23,
         
     | 
| 26 | 
         
            +
              "[C] [=C] [C] [=Branch1] [C] [=O] [N] [C]": 24,
         
     | 
| 27 | 
         
            +
              "[C] [O] [C] [=Branch1] [C] [=O] [C] [=C]": 25,
         
     | 
| 28 | 
         
            +
              "[C] [N] [C] [=Branch1] [C] [=O] [C] [=C]": 26,
         
     | 
| 29 | 
         
            +
              "[C] [O] [C] [=Branch1] [C] [=O] [C] [C]": 27,
         
     | 
| 30 | 
         
            +
              "[C] [C] [O] [C] [=C] [C] [=C] [Branch2]": 28,
         
     | 
| 31 | 
         
            +
              "[C] [O] [C] [=Branch1] [C] [=O] [N] [C]": 29,
         
     | 
| 32 | 
         
            +
              "[C] [C] [=C] [C] [=C] [Branch2] [Ring2]": 30,
         
     | 
| 33 | 
         
            +
              "[C] [C] [=Branch1] [C] [=O] [N] [C] [C]": 31,
         
     | 
| 34 | 
         
            +
              "[C] [C] [C] [=Branch1] [C] [=O] [N] [C]": 32,
         
     | 
| 35 | 
         
            +
              "[C] [C] [=C] [C] [=C] [Branch2] [Ring1]": 33,
         
     | 
| 36 | 
         
            +
              "[C] [C] [O] [C] [=Branch1] [C] [=O] [C]": 34,
         
     | 
| 37 | 
         
            +
              "[C] [O] [C] [=C] [C] [=C] [Branch1] [C]": 35,
         
     | 
| 38 | 
         
            +
              "[O] [=C] [Branch1] [C] [O] [C] [=C] [C]": 36,
         
     | 
| 39 | 
         
            +
              "[C] [C] [=C] [C] [Branch1] [C] [C] [=C]": 37,
         
     | 
| 40 | 
         
            +
              "[C] [C] [C@H1] [Branch1] [C] [C] [C@H1]": 38,
         
     | 
| 41 | 
         
            +
              "[C] [O] [C] [=C] [C] [=C] [C] [Branch2]": 39,
         
     | 
| 42 | 
         
            +
              "[C] [O] [C] [=Branch1] [C] [=O] [C@@H1]": 40,
         
     | 
| 43 | 
         
            +
              "[C] [O] [C] [=C] [C] [Branch2] [Ring2]": 41,
         
     | 
| 44 | 
         
            +
              "[O] [=C] [Branch1] [Ring1] [O] [C] [C]": 42,
         
     | 
| 45 | 
         
            +
              "[O] [=C] [Branch2] [Ring1] [C] [N] [C]": 43,
         
     | 
| 46 | 
         
            +
              "[O] [=C] [Branch2] [Ring1] [Ring1] [C]": 44,
         
     | 
| 47 | 
         
            +
              "[O] [=C] [Branch1] [C] [O] [C] [C] [C]": 45,
         
     | 
| 48 | 
         
            +
              "[O] [=S] [=Branch1] [C] [=O] [Branch1]": 46,
         
     | 
| 49 | 
         
            +
              "[O] [=C] [Branch2] [Ring1] [N] [N] [C]": 47,
         
     | 
| 50 | 
         
            +
              "[O] [=S] [=Branch1] [C] [=O] [Branch2]": 48,
         
     | 
| 51 | 
         
            +
              "[C] [O] [C] [=C] [C] [Branch2] [Ring1]": 49,
         
     | 
| 52 | 
         
            +
              "[C] [C] [Branch1] [C] [C] [=C] [C] [C]": 50,
         
     | 
| 53 | 
         
            +
              "[O] [=C] [Branch1] [C] [O] [C] [O] [C]": 51,
         
     | 
| 54 | 
         
            +
              "[O] [=C] [Branch1] [#Branch2] [N] [C]": 52,
         
     | 
| 55 | 
         
            +
              "[O] [=C] [Branch2] [Ring2] [#Branch1]": 53,
         
     | 
| 56 | 
         
            +
              "[C] [N] [Branch1] [C] [C] [C] [C] [C]": 54,
         
     | 
| 57 | 
         
            +
              "[O] [=C] [Branch2] [Ring2] [=Branch1]": 55,
         
     | 
| 58 | 
         
            +
              "[O] [=C] [Branch2] [Ring1] [=Branch1]": 56,
         
     | 
| 59 | 
         
            +
              "[O] [=C] [Branch2] [Ring2] [#Branch2]": 57,
         
     | 
| 60 | 
         
            +
              "[O] [=C] [Branch2] [Ring2] [=Branch2]": 58,
         
     | 
| 61 | 
         
            +
              "[O] [=C] [Branch2] [Ring1] [#Branch2]": 59,
         
     | 
| 62 | 
         
            +
              "[O] [=C] [Branch2] [Ring1] [=Branch2]": 60,
         
     | 
| 63 | 
         
            +
              "[O] [=C] [Branch2] [Ring1] [#Branch1]": 61,
         
     | 
| 64 | 
         
            +
              "[C] [C] [Branch1] [C] [C] [C] [C@@H1]": 62,
         
     | 
| 65 | 
         
            +
              "[O] [=C] [Branch1] [#Branch1] [N] [C]": 63,
         
     | 
| 66 | 
         
            +
              "[N] [#C] [C] [=C] [C] [=C] [Branch2]": 64,
         
     | 
| 67 | 
         
            +
              "[C] [C] [=C] [C] [=Branch1] [C] [=O]": 65,
         
     | 
| 68 | 
         
            +
              "[O] [=C] [Branch2] [Ring1] [Branch2]": 66,
         
     | 
| 69 | 
         
            +
              "[O] [=C] [Branch2] [Ring2] [Branch2]": 67,
         
     | 
| 70 | 
         
            +
              "[C] [C] [Branch1] [C] [C] [C] [C@H1]": 68,
         
     | 
| 71 | 
         
            +
              "[O] [=C] [Branch2] [Ring1] [Branch1]": 69,
         
     | 
| 72 | 
         
            +
              "[O] [=C] [Branch2] [Ring2] [Branch1]": 70,
         
     | 
| 73 | 
         
            +
              "[C] [=C] [C] [=Branch1] [C] [=O] [O]": 71,
         
     | 
| 74 | 
         
            +
              "[C] [C] [=Branch1] [C] [=O] [C] [=C]": 72,
         
     | 
| 75 | 
         
            +
              "[C] [O] [C] [=Branch1] [C] [=O] [N]": 73,
         
     | 
| 76 | 
         
            +
              "[C] [C] [C] [C] [=Branch1] [C] [=O]": 74,
         
     | 
| 77 | 
         
            +
              "[C] [C] [O] [C] [=Branch1] [C] [=O]": 75,
         
     | 
| 78 | 
         
            +
              "[C] [C] [Branch1] [C] [C] [Branch2]": 76,
         
     | 
| 79 | 
         
            +
              "[C] [C] [C] [=C] [C] [=C] [Branch2]": 77,
         
     | 
| 80 | 
         
            +
              "[C] [C] [=Branch1] [C] [=O] [N] [C]": 78,
         
     | 
| 81 | 
         
            +
              "[C] [O] [C] [=C] [C] [=C] [Branch2]": 79,
         
     | 
| 82 | 
         
            +
              "[C] [C] [=Branch1] [C] [=O] [O] [C]": 80,
         
     | 
| 83 | 
         
            +
              "[C] [O] [C] [=Branch1] [C] [=O] [C]": 81,
         
     | 
| 84 | 
         
            +
              "[C] [N] [C] [=Branch1] [C] [=O] [C]": 82,
         
     | 
| 85 | 
         
            +
              "[C] [O] [C] [=C] [C] [=C] [Branch1]": 83,
         
     | 
| 86 | 
         
            +
              "[C] [C] [=C] [C] [=C] [Branch1] [C]": 84,
         
     | 
| 87 | 
         
            +
              "[O] [=C] [Branch1] [C] [O] [C] [=C]": 85,
         
     | 
| 88 | 
         
            +
              "[O] [=C] [Branch1] [#C] [N] [C] [C]": 86,
         
     | 
| 89 | 
         
            +
              "[O] [=C] [O] [C] [=C] [C] [Branch1]": 87,
         
     | 
| 90 | 
         
            +
              "[C] [C] [=C] [C] [=C] [C] [Branch2]": 88,
         
     | 
| 91 | 
         
            +
              "[C] [N] [C] [=Branch1] [C] [=O] [N]": 89,
         
     | 
| 92 | 
         
            +
              "[C] [C] [N] [C] [=Branch1] [C] [=O]": 90,
         
     | 
| 93 | 
         
            +
              "[O] [=C] [Branch2] [Ring1] [Ring1]": 91,
         
     | 
| 94 | 
         
            +
              "[O] [=C] [Branch1] [C] [O] [C] [C]": 92,
         
     | 
| 95 | 
         
            +
              "[O] [=C] [Branch1] [N] [N] [C] [C]": 93,
         
     | 
| 96 | 
         
            +
              "[C] [O] [C] [=C] [C] [=C] [C] [=C]": 94,
         
     | 
| 97 | 
         
            +
              "[C] [O] [C] [=C] [C] [=C] [N] [=C]": 95,
         
     | 
| 98 | 
         
            +
              "[O] [=C] [Branch2] [Ring2] [Ring2]": 96,
         
     | 
| 99 | 
         
            +
              "[O] [=C] [Branch1] [O] [N] [C] [C]": 97,
         
     | 
| 100 | 
         
            +
              "[O] [=C] [Branch2] [Ring2] [Ring1]": 98,
         
     | 
| 101 | 
         
            +
              "[O] [=C] [Branch2] [Ring1] [C] [C]": 99,
         
     | 
| 102 | 
         
            +
              "[O] [=C] [Branch2] [Ring1] [Ring2]": 100,
         
     | 
| 103 | 
         
            +
              "[O] [=C] [C] [C] [Branch1] [C] [O]": 101,
         
     | 
| 104 | 
         
            +
              "[O] [=C] [O] [C] [=C] [C] [=C] [C]": 102,
         
     | 
| 105 | 
         
            +
              "[C] [O] [C] [=C] [C] [Branch1] [C]": 103,
         
     | 
| 106 | 
         
            +
              "[C] [C] [Branch1] [C] [C] [C] [C]": 104,
         
     | 
| 107 | 
         
            +
              "[C] [C] [Branch1] [C] [C] [N] [C]": 105,
         
     | 
| 108 | 
         
            +
              "[O] [=C] [Branch1] [=Branch2] [C]": 106,
         
     | 
| 109 | 
         
            +
              "[C] [C] [Branch1] [C] [C] [C@@H1]": 107,
         
     | 
| 110 | 
         
            +
              "[C] [C] [Branch1] [C] [C] [C] [N]": 108,
         
     | 
| 111 | 
         
            +
              "[C] [N] [Branch1] [C] [C] [C] [C]": 109,
         
     | 
| 112 | 
         
            +
              "[C] [C] [N] [C] [C] [N] [Branch2]": 110,
         
     | 
| 113 | 
         
            +
              "[C] [C] [Branch1] [C] [C] [O] [C]": 111,
         
     | 
| 114 | 
         
            +
              "[C] [C] [O] [C] [=C] [C] [=C] [C]": 112,
         
     | 
| 115 | 
         
            +
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     | 
| 116 | 
         
            +
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     | 
| 117 | 
         
            +
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     | 
| 118 | 
         
            +
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     | 
| 119 | 
         
            +
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     | 
| 120 | 
         
            +
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     | 
| 121 | 
         
            +
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     | 
| 122 | 
         
            +
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     | 
| 123 | 
         
            +
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     | 
| 124 | 
         
            +
              "[C] [C] [C] [C] [C] [C] [C] [C]": 122,
         
     | 
| 125 | 
         
            +
              "[O] [=C] [Branch1] [#C] [N] [C]": 123,
         
     | 
| 126 | 
         
            +
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     | 
| 127 | 
         
            +
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     | 
| 128 | 
         
            +
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     | 
| 129 | 
         
            +
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     | 
| 130 | 
         
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     | 
| 131 | 
         
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     | 
| 132 | 
         
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     | 
| 133 | 
         
            +
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     | 
| 134 | 
         
            +
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     | 
| 135 | 
         
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     | 
| 136 | 
         
            +
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     | 
| 137 | 
         
            +
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     | 
| 138 | 
         
            +
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     | 
| 139 | 
         
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     | 
| 140 | 
         
            +
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     | 
| 141 | 
         
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     | 
| 142 | 
         
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     | 
| 143 | 
         
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     | 
| 144 | 
         
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     | 
| 145 | 
         
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     | 
| 146 | 
         
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     | 
| 147 | 
         
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     | 
| 148 | 
         
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     | 
| 149 | 
         
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     | 
| 150 | 
         
            +
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     | 
| 151 | 
         
            +
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     | 
| 152 | 
         
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     | 
| 153 | 
         
            +
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     | 
| 154 | 
         
            +
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     | 
| 155 | 
         
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     | 
| 156 | 
         
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     | 
| 157 | 
         
            +
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     | 
| 158 | 
         
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     | 
| 159 | 
         
            +
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     | 
| 160 | 
         
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     | 
| 161 | 
         
            +
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     | 
| 162 | 
         
            +
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     | 
| 163 | 
         
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     | 
| 164 | 
         
            +
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     | 
| 165 | 
         
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     | 
| 166 | 
         
            +
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     | 
| 167 | 
         
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     | 
| 168 | 
         
            +
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     | 
| 169 | 
         
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     | 
| 170 | 
         
            +
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     | 
| 171 | 
         
            +
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     | 
| 172 | 
         
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     | 
| 173 | 
         
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     | 
| 174 | 
         
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     | 
| 175 | 
         
            +
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     | 
| 176 | 
         
            +
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     | 
| 177 | 
         
            +
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     | 
| 178 | 
         
            +
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     | 
| 179 | 
         
            +
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     | 
| 180 | 
         
            +
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     | 
| 181 | 
         
            +
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     | 
| 182 | 
         
            +
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     | 
| 183 | 
         
            +
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     | 
| 184 | 
         
            +
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     | 
| 185 | 
         
            +
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     | 
| 186 | 
         
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     | 
| 187 | 
         
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     | 
| 188 | 
         
            +
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     | 
| 189 | 
         
            +
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     | 
| 190 | 
         
            +
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     | 
| 191 | 
         
            +
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     | 
| 192 | 
         
            +
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     | 
| 193 | 
         
            +
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     | 
| 194 | 
         
            +
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     | 
| 195 | 
         
            +
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     | 
| 196 | 
         
            +
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     | 
| 197 | 
         
            +
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     | 
| 198 | 
         
            +
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     | 
| 199 | 
         
            +
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     | 
| 200 | 
         
            +
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     | 
| 201 | 
         
            +
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     | 
| 202 | 
         
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     | 
| 203 | 
         
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     | 
| 204 | 
         
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     | 
| 205 | 
         
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     | 
| 206 | 
         
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     | 
| 207 | 
         
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     | 
| 208 | 
         
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     | 
| 209 | 
         
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     | 
| 210 | 
         
            +
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     | 
| 211 | 
         
            +
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     | 
| 212 | 
         
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     | 
| 213 | 
         
            +
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     | 
| 214 | 
         
            +
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     | 
| 215 | 
         
            +
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     | 
| 216 | 
         
            +
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     | 
| 217 | 
         
            +
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     | 
| 218 | 
         
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     | 
| 219 | 
         
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     | 
| 220 | 
         
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     | 
| 221 | 
         
            +
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     | 
| 222 | 
         
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     | 
| 223 | 
         
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     | 
| 224 | 
         
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     | 
| 225 | 
         
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     | 
| 226 | 
         
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     | 
| 227 | 
         
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     | 
| 228 | 
         
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     | 
| 229 | 
         
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     | 
| 230 | 
         
            +
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     | 
| 231 | 
         
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     | 
| 232 | 
         
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     | 
| 233 | 
         
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     | 
| 234 | 
         
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     | 
| 235 | 
         
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     | 
| 236 | 
         
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     | 
| 237 | 
         
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     | 
| 238 | 
         
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     | 
| 239 | 
         
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     | 
| 240 | 
         
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     | 
| 241 | 
         
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     | 
| 242 | 
         
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     | 
| 243 | 
         
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     | 
| 244 | 
         
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     | 
| 245 | 
         
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     | 
| 246 | 
         
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     | 
| 247 | 
         
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     | 
| 248 | 
         
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     | 
| 249 | 
         
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     | 
| 250 | 
         
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     | 
| 251 | 
         
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     | 
| 252 | 
         
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     | 
| 253 | 
         
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     | 
| 254 | 
         
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     | 
| 255 | 
         
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     | 
| 256 | 
         
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     | 
| 257 | 
         
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     | 
| 258 | 
         
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     | 
| 259 | 
         
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     | 
| 260 | 
         
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     | 
| 261 | 
         
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     | 
| 262 | 
         
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     | 
| 263 | 
         
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     | 
| 264 | 
         
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     | 
| 265 | 
         
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     | 
| 266 | 
         
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     | 
| 267 | 
         
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     | 
| 268 | 
         
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     | 
| 269 | 
         
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     | 
| 270 | 
         
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     | 
| 271 | 
         
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     | 
| 272 | 
         
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     | 
| 273 | 
         
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     | 
| 274 | 
         
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     | 
| 275 | 
         
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     | 
| 276 | 
         
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     | 
| 277 | 
         
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     | 
| 278 | 
         
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     | 
| 279 | 
         
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     | 
| 280 | 
         
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| 281 | 
         
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| 282 | 
         
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     | 
| 283 | 
         
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     | 
| 284 | 
         
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| 285 | 
         
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| 286 | 
         
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     | 
| 287 | 
         
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     | 
| 288 | 
         
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     | 
| 289 | 
         
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     | 
| 290 | 
         
            +
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     | 
| 291 | 
         
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     | 
| 292 | 
         
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     | 
| 293 | 
         
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     | 
| 294 | 
         
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     | 
| 295 | 
         
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     | 
| 296 | 
         
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| 297 | 
         
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     | 
| 298 | 
         
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     | 
| 299 | 
         
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     | 
| 300 | 
         
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     | 
| 301 | 
         
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     | 
| 302 | 
         
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     | 
| 303 | 
         
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     | 
| 304 | 
         
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     | 
| 305 | 
         
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     | 
| 306 | 
         
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              "[O] [=C] [C] [=C]": 304,
         
     | 
| 307 | 
         
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     | 
| 308 | 
         
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     | 
| 309 | 
         
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     | 
| 310 | 
         
            +
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     | 
| 311 | 
         
            +
              "[C] [C@] [C] [C]": 309,
         
     | 
| 312 | 
         
            +
              "[O] [=C] [N] [C]": 310,
         
     | 
| 313 | 
         
            +
              "[O] [=C] [C] [C]": 311,
         
     | 
| 314 | 
         
            +
              "[C] [N] [N] [=C]": 312,
         
     | 
| 315 | 
         
            +
              "[N] [C] [=N] [C]": 313,
         
     | 
| 316 | 
         
            +
              "[C] [C] [N] [=C]": 314,
         
     | 
| 317 | 
         
            +
              "[C] [C] [C] [=C]": 315,
         
     | 
| 318 | 
         
            +
              "[N] [#C] [C] [C]": 316,
         
     | 
| 319 | 
         
            +
              "[C] [=C] [C] [C]": 317,
         
     | 
| 320 | 
         
            +
              "[O] [=C] [O] [C]": 318,
         
     | 
| 321 | 
         
            +
              "[C] [C] [=N] [N]": 319,
         
     | 
| 322 | 
         
            +
              "[C] [C] [C] [=N]": 320,
         
     | 
| 323 | 
         
            +
              "[C] [C] [=N] [C]": 321,
         
     | 
| 324 | 
         
            +
              "[C] [C] [=C] [N]": 322,
         
     | 
| 325 | 
         
            +
              "[C] [C] [S] [C]": 323,
         
     | 
| 326 | 
         
            +
              "[C] [N] [C] [C]": 324,
         
     | 
| 327 | 
         
            +
              "[C] [C] [C] [C]": 325,
         
     | 
| 328 | 
         
            +
              "[C] [C@@H1] [C]": 326,
         
     | 
| 329 | 
         
            +
              "[C] [O] [C] [C]": 327,
         
     | 
| 330 | 
         
            +
              "[C] [C] [C] [S]": 328,
         
     | 
| 331 | 
         
            +
              "[N] [C] [C] [C]": 329,
         
     | 
| 332 | 
         
            +
              "[O] [C] [C] [C]": 330,
         
     | 
| 333 | 
         
            +
              "[C] [C] [C] [N]": 331,
         
     | 
| 334 | 
         
            +
              "[C] [C] [N] [C]": 332,
         
     | 
| 335 | 
         
            +
              "[C] [C] [O] [C]": 333,
         
     | 
| 336 | 
         
            +
              "[C] [C] [C@@H1]": 334,
         
     | 
| 337 | 
         
            +
              "[Cl] .[O] [=C]": 335,
         
     | 
| 338 | 
         
            +
              "[C] [C] [C@H1]": 336,
         
     | 
| 339 | 
         
            +
              "[C] [C@H1] [C]": 337,
         
     | 
| 340 | 
         
            +
              "[C] [/C] [=C]": 338,
         
     | 
| 341 | 
         
            +
              "[O] [Branch2]": 339,
         
     | 
| 342 | 
         
            +
              "[C] [#C] [C]": 340,
         
     | 
| 343 | 
         
            +
              "[C] [C] [=C]": 341,
         
     | 
| 344 | 
         
            +
              "[C] [=C] [C]": 342,
         
     | 
| 345 | 
         
            +
              "[C] [C] [=N]": 343,
         
     | 
| 346 | 
         
            +
              "[O] [=C] [C]": 344,
         
     | 
| 347 | 
         
            +
              "[O] [=C] [N]": 345,
         
     | 
| 348 | 
         
            +
              "[N] [#C] [C]": 346,
         
     | 
| 349 | 
         
            +
              "[O] [C] [C]": 347,
         
     | 
| 350 | 
         
            +
              "[C] [C] [N]": 348,
         
     | 
| 351 | 
         
            +
              "[C] [C] [S]": 349,
         
     | 
| 352 | 
         
            +
              "[C] [O] [C]": 350,
         
     | 
| 353 | 
         
            +
              "[N] [C] [C]": 351,
         
     | 
| 354 | 
         
            +
              "[N] [C@@H1]": 352,
         
     | 
| 355 | 
         
            +
              "[C] [S] [C]": 353,
         
     | 
| 356 | 
         
            +
              "[C] [C@@H1]": 354,
         
     | 
| 357 | 
         
            +
              "[C] [C] [C]": 355,
         
     | 
| 358 | 
         
            +
              "[C] [N] [C]": 356,
         
     | 
| 359 | 
         
            +
              "[C] [C@H1]": 357,
         
     | 
| 360 | 
         
            +
              "[Cl] .[O]": 358,
         
     | 
| 361 | 
         
            +
              "[Cl] .[N]": 359,
         
     | 
| 362 | 
         
            +
              "[C] [C@@]": 360,
         
     | 
| 363 | 
         
            +
              "[C] [N+1]": 361,
         
     | 
| 364 | 
         
            +
              "[C] [C@]": 362,
         
     | 
| 365 | 
         
            +
              "[C] [=C]": 363,
         
     | 
| 366 | 
         
            +
              "[Br] [C]": 364,
         
     | 
| 367 | 
         
            +
              "[C] [/C]": 365,
         
     | 
| 368 | 
         
            +
              "[N] [=C]": 366,
         
     | 
| 369 | 
         
            +
              "[O] [=C]": 367,
         
     | 
| 370 | 
         
            +
              "[C] [N]": 368,
         
     | 
| 371 | 
         
            +
              "[C] [C]": 369,
         
     | 
| 372 | 
         
            +
              "[F] [C]": 370,
         
     | 
| 373 | 
         
            +
              "[N] [N]": 371,
         
     | 
| 374 | 
         
            +
              "[C] [S]": 372,
         
     | 
| 375 | 
         
            +
              "[O] [C]": 373,
         
     | 
| 376 | 
         
            +
              "[N] [C]": 374,
         
     | 
| 377 | 
         
            +
              "[Br]": 375,
         
     | 
| 378 | 
         
            +
              "[Cl]": 376,
         
     | 
| 379 | 
         
            +
              "[O]": 377,
         
     | 
| 380 | 
         
            +
              "[N]": 378,
         
     | 
| 381 | 
         
            +
              "[C]": 379,
         
     | 
| 382 | 
         
            +
              "[S]": 380,
         
     | 
| 383 | 
         
            +
              "[/14C]": 381,
         
     | 
| 384 | 
         
            +
              "[76BrH1]": 382,
         
     | 
| 385 | 
         
            +
              "[=S@@]": 383,
         
     | 
| 386 | 
         
            +
              "[=Si]": 384,
         
     | 
| 387 | 
         
            +
              "[\\C-1]": 385,
         
     | 
| 388 | 
         
            +
              "[CH1-1]": 386,
         
     | 
| 389 | 
         
            +
              "[Na]": 387,
         
     | 
| 390 | 
         
            +
              ".[CaH2]": 388,
         
     | 
| 391 | 
         
            +
              "[/13CH1]": 389,
         
     | 
| 392 | 
         
            +
              "[\\I]": 390,
         
     | 
| 393 | 
         
            +
              "[P@@+1]": 391,
         
     | 
| 394 | 
         
            +
              "[SrH2]": 392,
         
     | 
| 395 | 
         
            +
              "[Ring2]": 393,
         
     | 
| 396 | 
         
            +
              "[/13C]": 394,
         
     | 
| 397 | 
         
            +
              "[\\3H]": 395,
         
     | 
| 398 | 
         
            +
              "[\\NH1]": 396,
         
     | 
| 399 | 
         
            +
              "[=S]": 397,
         
     | 
| 400 | 
         
            +
              "[\\-Ring2]": 398,
         
     | 
| 401 | 
         
            +
              "[Mg+2]": 399,
         
     | 
| 402 | 
         
            +
              "[=S+1]": 400,
         
     | 
| 403 | 
         
            +
              "[-/Ring2]": 401,
         
     | 
| 404 | 
         
            +
              "[=Branch1]": 402,
         
     | 
| 405 | 
         
            +
              "[=PH2]": 403,
         
     | 
| 406 | 
         
            +
              "[=14CH1]": 404,
         
     | 
| 407 | 
         
            +
              "[=OH1+1]": 405,
         
     | 
| 408 | 
         
            +
              "[At]": 406,
         
     | 
| 409 | 
         
            +
              ".[F]": 407,
         
     | 
| 410 | 
         
            +
              "[13CH1]": 408,
         
     | 
| 411 | 
         
            +
              "[\\S-1]": 409,
         
     | 
| 412 | 
         
            +
              ".[H+1]": 410,
         
     | 
| 413 | 
         
            +
              "[131Cs]": 411,
         
     | 
| 414 | 
         
            +
              "[PH2+1]": 412,
         
     | 
| 415 | 
         
            +
              "[42K+1]": 413,
         
     | 
| 416 | 
         
            +
              ".[Br]": 414,
         
     | 
| 417 | 
         
            +
              ".[S-1]": 415,
         
     | 
| 418 | 
         
            +
              ".[I]": 416,
         
     | 
| 419 | 
         
            +
              "[B@-1]": 417,
         
     | 
| 420 | 
         
            +
              "[223Ra]": 418,
         
     | 
| 421 | 
         
            +
              ".[3H]": 419,
         
     | 
| 422 | 
         
            +
              "[=SH0]": 420,
         
     | 
| 423 | 
         
            +
              "[\\P]": 421,
         
     | 
| 424 | 
         
            +
              ".[OH1-1]": 422,
         
     | 
| 425 | 
         
            +
              ".[Cl-1]": 423,
         
     | 
| 426 | 
         
            +
              "[Branch2]": 424,
         
     | 
| 427 | 
         
            +
              "[11C-1]": 425,
         
     | 
| 428 | 
         
            +
              "[Al-3]": 426,
         
     | 
| 429 | 
         
            +
              "[/O]": 427,
         
     | 
| 430 | 
         
            +
              "[\\Se]": 428,
         
     | 
| 431 | 
         
            +
              "[C@H1]": 429,
         
     | 
| 432 | 
         
            +
              "[Fe+3]": 430,
         
     | 
| 433 | 
         
            +
              "[=N]": 431,
         
     | 
| 434 | 
         
            +
              "[#Branch1]": 432,
         
     | 
| 435 | 
         
            +
              "[82Rb]": 433,
         
     | 
| 436 | 
         
            +
              "[85Sr+2]": 434,
         
     | 
| 437 | 
         
            +
              "[3H]": 435,
         
     | 
| 438 | 
         
            +
              ".[LiH1]": 436,
         
     | 
| 439 | 
         
            +
              "[=Al]": 437,
         
     | 
| 440 | 
         
            +
              "[AsH1]": 438,
         
     | 
| 441 | 
         
            +
              "[/C@@]": 439,
         
     | 
| 442 | 
         
            +
              "[125I]": 440,
         
     | 
| 443 | 
         
            +
              "[Ca]": 441,
         
     | 
| 444 | 
         
            +
              "[As]": 442,
         
     | 
| 445 | 
         
            +
              "[/S-1]": 443,
         
     | 
| 446 | 
         
            +
              "[13NH3]": 444,
         
     | 
| 447 | 
         
            +
              "[C+1]": 445,
         
     | 
| 448 | 
         
            +
              "[SH2]": 446,
         
     | 
| 449 | 
         
            +
              "[Fe+2]": 447,
         
     | 
| 450 | 
         
            +
              "[131I]": 448,
         
     | 
| 451 | 
         
            +
              "[45Ca+2]": 449,
         
     | 
| 452 | 
         
            +
              "[Na+1]": 450,
         
     | 
| 453 | 
         
            +
              "[=B-1]": 451,
         
     | 
| 454 | 
         
            +
              "[/As]": 452,
         
     | 
| 455 | 
         
            +
              "[/N+1]": 453,
         
     | 
| 456 | 
         
            +
              "[BH3-1]": 454,
         
     | 
| 457 | 
         
            +
              "[=P]": 455,
         
     | 
| 458 | 
         
            +
              "[Br-1]": 456,
         
     | 
| 459 | 
         
            +
              "[124I-1]": 457,
         
     | 
| 460 | 
         
            +
              "[76Br]": 458,
         
     | 
| 461 | 
         
            +
              "[\\125I]": 459,
         
     | 
| 462 | 
         
            +
              "[13C]": 460,
         
     | 
| 463 | 
         
            +
              "[As-1]": 461,
         
     | 
| 464 | 
         
            +
              "[=18O]": 462,
         
     | 
| 465 | 
         
            +
              ".[OH3+1]": 463,
         
     | 
| 466 | 
         
            +
              "[F]": 464,
         
     | 
| 467 | 
         
            +
              "[13CH3]": 465,
         
     | 
| 468 | 
         
            +
              ".[NH3+1]": 466,
         
     | 
| 469 | 
         
            +
              "[15OH2]": 467,
         
     | 
| 470 | 
         
            +
              "[P+1]": 468,
         
     | 
| 471 | 
         
            +
              "[Br+2]": 469,
         
     | 
| 472 | 
         
            +
              "[S-1]": 470,
         
     | 
| 473 | 
         
            +
              "[14CH2]": 471,
         
     | 
| 474 | 
         
            +
              "[11CH1]": 472,
         
     | 
| 475 | 
         
            +
              "[SiH1]": 473,
         
     | 
| 476 | 
         
            +
              "[N@]": 474,
         
     | 
| 477 | 
         
            +
              ".[N-1]": 475,
         
     | 
| 478 | 
         
            +
              ".[Li+1]": 476,
         
     | 
| 479 | 
         
            +
              "[N-1]": 477,
         
     | 
| 480 | 
         
            +
              "[NH0]": 478,
         
     | 
| 481 | 
         
            +
              "[Branch3]": 479,
         
     | 
| 482 | 
         
            +
              ".[Se-2]": 480,
         
     | 
| 483 | 
         
            +
              "[=Ring1]": 481,
         
     | 
| 484 | 
         
            +
              ".[O-2]": 482,
         
     | 
| 485 | 
         
            +
              ".[NaH1]": 483,
         
     | 
| 486 | 
         
            +
              "[\\CH1-1]": 484,
         
     | 
| 487 | 
         
            +
              "[/S@@]": 485,
         
     | 
| 488 | 
         
            +
              ".[18F-1]": 486,
         
     | 
| 489 | 
         
            +
              "[P@]": 487,
         
     | 
| 490 | 
         
            +
              ".[SH1-1]": 488,
         
     | 
| 491 | 
         
            +
              ".[TeH2]": 489,
         
     | 
| 492 | 
         
            +
              "[#N+1]": 490,
         
     | 
| 493 | 
         
            +
              "[127Xe]": 491,
         
     | 
| 494 | 
         
            +
              "[/C-1]": 492,
         
     | 
| 495 | 
         
            +
              "[I+2]": 493,
         
     | 
| 496 | 
         
            +
              ".[Zn+1]": 494,
         
     | 
| 497 | 
         
            +
              "[O-1]": 495,
         
     | 
| 498 | 
         
            +
              "[N@+1]": 496,
         
     | 
| 499 | 
         
            +
              "[=Ring3]": 497,
         
     | 
| 500 | 
         
            +
              "[85SrH2]": 498,
         
     | 
| 501 | 
         
            +
              "[N+3]": 499,
         
     | 
| 502 | 
         
            +
              "[=SH1]": 500,
         
     | 
| 503 | 
         
            +
              "[N@@]": 501,
         
     | 
| 504 | 
         
            +
              "[Xe]": 502,
         
     | 
| 505 | 
         
            +
              "[18OH1]": 503,
         
     | 
| 506 | 
         
            +
              "[/P]": 504,
         
     | 
| 507 | 
         
            +
              "[=Ring2]": 505,
         
     | 
| 508 | 
         
            +
              "[=Te+1]": 506,
         
     | 
| 509 | 
         
            +
              "[#Ring2]": 507,
         
     | 
| 510 | 
         
            +
              "[/C@@H1]": 508,
         
     | 
| 511 | 
         
            +
              "[\\NH1-1]": 509,
         
     | 
| 512 | 
         
            +
              "[OH1+1]": 510,
         
     | 
| 513 | 
         
            +
              "[18F-1]": 511,
         
     | 
| 514 | 
         
            +
              "[#N]": 512,
         
     | 
| 515 | 
         
            +
              ".[Ba+2]": 513,
         
     | 
| 516 | 
         
            +
              "[I+3]": 514,
         
     | 
| 517 | 
         
            +
              "[O-2]": 515,
         
     | 
| 518 | 
         
            +
              "[N+1]": 516,
         
     | 
| 519 | 
         
            +
              "[#C-1]": 517,
         
     | 
| 520 | 
         
            +
              "[CH1]": 518,
         
     | 
| 521 | 
         
            +
              "[S+1]": 519,
         
     | 
| 522 | 
         
            +
              "[=O+1]": 520,
         
     | 
| 523 | 
         
            +
              "[\\Cl]": 521,
         
     | 
| 524 | 
         
            +
              "[Fe-3]": 522,
         
     | 
| 525 | 
         
            +
              "[Te]": 523,
         
     | 
| 526 | 
         
            +
              "[B-1]": 524,
         
     | 
| 527 | 
         
            +
              ".[KH1]": 525,
         
     | 
| 528 | 
         
            +
              ".[O]": 526,
         
     | 
| 529 | 
         
            +
              ".[F-1]": 527,
         
     | 
| 530 | 
         
            +
              "[\\B]": 528,
         
     | 
| 531 | 
         
            +
              "[=NH2+1]": 529,
         
     | 
| 532 | 
         
            +
              "[SH0]": 530,
         
     | 
| 533 | 
         
            +
              ".[Na+1]": 531,
         
     | 
| 534 | 
         
            +
              ".[Bi]": 532,
         
     | 
| 535 | 
         
            +
              ".[Ca+2]": 533,
         
     | 
| 536 | 
         
            +
              "[11CH2]": 534,
         
     | 
| 537 | 
         
            +
              "[BH2-1]": 535,
         
     | 
| 538 | 
         
            +
              "[NH2+1]": 536,
         
     | 
| 539 | 
         
            +
              "[#11C]": 537,
         
     | 
| 540 | 
         
            +
              "[17F]": 538,
         
     | 
| 541 | 
         
            +
              "[\\C@]": 539,
         
     | 
| 542 | 
         
            +
              "[Fe+1]": 540,
         
     | 
| 543 | 
         
            +
              "[CH1+1]": 541,
         
     | 
| 544 | 
         
            +
              "[S@@]": 542,
         
     | 
| 545 | 
         
            +
              "[NH2+2]": 543,
         
     | 
| 546 | 
         
            +
              "[/125I]": 544,
         
     | 
| 547 | 
         
            +
              "[/I]": 545,
         
     | 
| 548 | 
         
            +
              "[SH1+1]": 546,
         
     | 
| 549 | 
         
            +
              "[=Branch2]": 547,
         
     | 
| 550 | 
         
            +
              "[Se]": 548,
         
     | 
| 551 | 
         
            +
              "[SiH1-1]": 549,
         
     | 
| 552 | 
         
            +
              "[\\N-1]": 550,
         
     | 
| 553 | 
         
            +
              "[I-1]": 551,
         
     | 
| 554 | 
         
            +
              ".[Mg+2]": 552,
         
     | 
| 555 | 
         
            +
              "[Li+1]": 553,
         
     | 
| 556 | 
         
            +
              "[/S+1]": 554,
         
     | 
| 557 | 
         
            +
              "[=13C]": 555,
         
     | 
| 558 | 
         
            +
              ".[S-2]": 556,
         
     | 
| 559 | 
         
            +
              "[AsH3]": 557,
         
     | 
| 560 | 
         
            +
              "[/131I]": 558,
         
     | 
| 561 | 
         
            +
              ".[Sr+2]": 559,
         
     | 
| 562 | 
         
            +
              "[Ba]": 560,
         
     | 
| 563 | 
         
            +
              "[I+1]": 561,
         
     | 
| 564 | 
         
            +
              "[=Mg]": 562,
         
     | 
| 565 | 
         
            +
              "[Kr]": 563,
         
     | 
| 566 | 
         
            +
              "[\\-Ring1]": 564,
         
     | 
| 567 | 
         
            +
              ".[B]": 565,
         
     | 
| 568 | 
         
            +
              "[/NH1]": 566,
         
     | 
| 569 | 
         
            +
              "[OH0]": 567,
         
     | 
| 570 | 
         
            +
              "[=As]": 568,
         
     | 
| 571 | 
         
            +
              "[125IH1]": 569,
         
     | 
| 572 | 
         
            +
              ".[NH4+1]": 570,
         
     | 
| 573 | 
         
            +
              "[\\Si]": 571,
         
     | 
| 574 | 
         
            +
              "[Cl+1]": 572,
         
     | 
| 575 | 
         
            +
              "[=S@]": 573,
         
     | 
| 576 | 
         
            +
              "[124I]": 574,
         
     | 
| 577 | 
         
            +
              "[\\C@@]": 575,
         
     | 
| 578 | 
         
            +
              "[NH1+1]": 576,
         
     | 
| 579 | 
         
            +
              "[OH1]": 577,
         
     | 
| 580 | 
         
            +
              "[=B]": 578,
         
     | 
| 581 | 
         
            +
              "[Al]": 579,
         
     | 
| 582 | 
         
            +
              "[Ba+2]": 580,
         
     | 
| 583 | 
         
            +
              ".[Li]": 581,
         
     | 
| 584 | 
         
            +
              "[H]": 582,
         
     | 
| 585 | 
         
            +
              "[N@H1+1]": 583,
         
     | 
| 586 | 
         
            +
              "[SeH2]": 584,
         
     | 
| 587 | 
         
            +
              "[=Branch3]": 585,
         
     | 
| 588 | 
         
            +
              "[Mg]": 586,
         
     | 
| 589 | 
         
            +
              ".[125IH1]": 587,
         
     | 
| 590 | 
         
            +
              "[F-1]": 588,
         
     | 
| 591 | 
         
            +
              "[11C]": 589,
         
     | 
| 592 | 
         
            +
              "[Si-1]": 590,
         
     | 
| 593 | 
         
            +
              "[\\S]": 591,
         
     | 
| 594 | 
         
            +
              "[123IH1]": 592,
         
     | 
| 595 | 
         
            +
              "[He]": 593,
         
     | 
| 596 | 
         
            +
              ".[Cl]": 594,
         
     | 
| 597 | 
         
            +
              "[123Te]": 595,
         
     | 
| 598 | 
         
            +
              "[2H]": 596,
         
     | 
| 599 | 
         
            +
              "[/N]": 597,
         
     | 
| 600 | 
         
            +
              "[Ag+1]": 598,
         
     | 
| 601 | 
         
            +
              "[=NH1+1]": 599,
         
     | 
| 602 | 
         
            +
              ".[I-1]": 600,
         
     | 
| 603 | 
         
            +
              ".[O-1]": 601,
         
     | 
| 604 | 
         
            +
              "[123I]": 602,
         
     | 
| 605 | 
         
            +
              "[S@+1]": 603,
         
     | 
| 606 | 
         
            +
              "[Fe]": 604,
         
     | 
| 607 | 
         
            +
              "[S@@+1]": 605,
         
     | 
| 608 | 
         
            +
              "[/S@]": 606,
         
     | 
| 609 | 
         
            +
              "[Cl+2]": 607,
         
     | 
| 610 | 
         
            +
              "[75Se]": 608,
         
     | 
| 611 | 
         
            +
              "[LiH1]": 609,
         
     | 
| 612 | 
         
            +
              "[13CH2]": 610,
         
     | 
| 613 | 
         
            +
              "[=SeH1]": 611,
         
     | 
| 614 | 
         
            +
              "[/SeH1]": 612,
         
     | 
| 615 | 
         
            +
              "[32P]": 613,
         
     | 
| 616 | 
         
            +
              "[\\S+1]": 614,
         
     | 
| 617 | 
         
            +
              "[89Sr+2]": 615,
         
     | 
| 618 | 
         
            +
              "[Zn-2]": 616,
         
     | 
| 619 | 
         
            +
              ".[Zn+2]": 617,
         
     | 
| 620 | 
         
            +
              "[135I]": 618,
         
     | 
| 621 | 
         
            +
              "[-/Ring1]": 619,
         
     | 
| 622 | 
         
            +
              "[Ra]": 620,
         
     | 
| 623 | 
         
            +
              ".[K]": 621,
         
     | 
| 624 | 
         
            +
              "[N@@+1]": 622,
         
     | 
| 625 | 
         
            +
              "[18F]": 623,
         
     | 
| 626 | 
         
            +
              "[Fe-4]": 624,
         
     | 
| 627 | 
         
            +
              ".[C]": 625,
         
     | 
| 628 | 
         
            +
              "[B@@-1]": 626,
         
     | 
| 629 | 
         
            +
              "[P@@]": 627,
         
     | 
| 630 | 
         
            +
              "[C-1]": 628,
         
     | 
| 631 | 
         
            +
              "[MgH2]": 629,
         
     | 
| 632 | 
         
            +
              "[SiH2]": 630,
         
     | 
| 633 | 
         
            +
              "[P@+1]": 631,
         
     | 
| 634 | 
         
            +
              "[-\\Ring1]": 632,
         
     | 
| 635 | 
         
            +
              "[Cl+3]": 633,
         
     | 
| 636 | 
         
            +
              "[NH1-1]": 634,
         
     | 
| 637 | 
         
            +
              ".[Ag+1]": 635,
         
     | 
| 638 | 
         
            +
              "[\\O-1]": 636,
         
     | 
| 639 | 
         
            +
              "[/O-1]": 637,
         
     | 
| 640 | 
         
            +
              "[O+1]": 638,
         
     | 
| 641 | 
         
            +
              "[SH1]": 639,
         
     | 
| 642 | 
         
            +
              "[=C]": 640,
         
     | 
| 643 | 
         
            +
              "[=N-1]": 641,
         
     | 
| 644 | 
         
            +
              "[SH1-1]": 642,
         
     | 
| 645 | 
         
            +
              "[19F]": 643,
         
     | 
| 646 | 
         
            +
              ".[HH1]": 644,
         
     | 
| 647 | 
         
            +
              "[Ring3]": 645,
         
     | 
| 648 | 
         
            +
              "[Zn+2]": 646,
         
     | 
| 649 | 
         
            +
              "[=S-1]": 647,
         
     | 
| 650 | 
         
            +
              ".[85Sr+2]": 648,
         
     | 
| 651 | 
         
            +
              "[=13CH1]": 649,
         
     | 
| 652 | 
         
            +
              "[K+1]": 650,
         
     | 
| 653 | 
         
            +
              "[/S]": 651,
         
     | 
| 654 | 
         
            +
              "[=P@@]": 652,
         
     | 
| 655 | 
         
            +
              "[129Xe]": 653,
         
     | 
| 656 | 
         
            +
              "[=Fe]": 654,
         
     | 
| 657 | 
         
            +
              "[73Se]": 655,
         
     | 
| 658 | 
         
            +
              "[/Cl]": 656,
         
     | 
| 659 | 
         
            +
              ".[NH2+1]": 657,
         
     | 
| 660 | 
         
            +
              "[\\N]": 658,
         
     | 
| 661 | 
         
            +
              "[/Br]": 659,
         
     | 
| 662 | 
         
            +
              "[\\PH1]": 660,
         
     | 
| 663 | 
         
            +
              "[\\SeH1]": 661,
         
     | 
| 664 | 
         
            +
              "[Ag]": 662,
         
     | 
| 665 | 
         
            +
              "[Rb]": 663,
         
     | 
| 666 | 
         
            +
              "[Zn]": 664,
         
     | 
| 667 | 
         
            +
              "[\\N+1]": 665,
         
     | 
| 668 | 
         
            +
              "[SeH1]": 666,
         
     | 
| 669 | 
         
            +
              ".[Zn]": 667,
         
     | 
| 670 | 
         
            +
              ".[Br-1]": 668,
         
     | 
| 671 | 
         
            +
              "[11C@@H1]": 669,
         
     | 
| 672 | 
         
            +
              "[C@]": 670,
         
     | 
| 673 | 
         
            +
              "[BH1-1]": 671,
         
     | 
| 674 | 
         
            +
              "[/123I]": 672,
         
     | 
| 675 | 
         
            +
              "[=PH1]": 673,
         
     | 
| 676 | 
         
            +
              "[\\C@@H1]": 674,
         
     | 
| 677 | 
         
            +
              "[/P+1]": 675,
         
     | 
| 678 | 
         
            +
              "[/-Ring2]": 676,
         
     | 
| 679 | 
         
            +
              "[Te-1]": 677,
         
     | 
| 680 | 
         
            +
              ".[N]": 678,
         
     | 
| 681 | 
         
            +
              "[/C]": 679,
         
     | 
| 682 | 
         
            +
              ".[SiH3-1]": 680,
         
     | 
| 683 | 
         
            +
              "[CH2-1]": 681,
         
     | 
| 684 | 
         
            +
              "[OH2+1]": 682,
         
     | 
| 685 | 
         
            +
              "[14CH1]": 683,
         
     | 
| 686 | 
         
            +
              "[P]": 684,
         
     | 
| 687 | 
         
            +
              "[Se-1]": 685,
         
     | 
| 688 | 
         
            +
              "[TeH1]": 686,
         
     | 
| 689 | 
         
            +
              ".[H-1]": 687,
         
     | 
| 690 | 
         
            +
              "[=N+1]": 688,
         
     | 
| 691 | 
         
            +
              ".[K+1]": 689,
         
     | 
| 692 | 
         
            +
              "[#Branch2]": 690,
         
     | 
| 693 | 
         
            +
              "[=O]": 691,
         
     | 
| 694 | 
         
            +
              "[35S]": 692,
         
     | 
| 695 | 
         
            +
              "[Ring1]": 693,
         
     | 
| 696 | 
         
            +
              "[14C]": 694,
         
     | 
| 697 | 
         
            +
              "[S@]": 695,
         
     | 
| 698 | 
         
            +
              "[CH0]": 696,
         
     | 
| 699 | 
         
            +
              "[Ca+2]": 697,
         
     | 
| 700 | 
         
            +
              "[#O+1]": 698,
         
     | 
| 701 | 
         
            +
              "[B]": 699,
         
     | 
| 702 | 
         
            +
              "[\\Br]": 700,
         
     | 
| 703 | 
         
            +
              "[/P@@]": 701,
         
     | 
| 704 | 
         
            +
              "[14C@H1]": 702,
         
     | 
| 705 | 
         
            +
              "[=32P]": 703,
         
     | 
| 706 | 
         
            +
              "[\\C]": 704,
         
     | 
| 707 | 
         
            +
              "[Mg+1]": 705,
         
     | 
| 708 | 
         
            +
              "[11CH3]": 706,
         
     | 
| 709 | 
         
            +
              "[14CH3]": 707,
         
     | 
| 710 | 
         
            +
              "[/Se]": 708,
         
     | 
| 711 | 
         
            +
              "[15N]": 709,
         
     | 
| 712 | 
         
            +
              "[/N-1]": 710,
         
     | 
| 713 | 
         
            +
              "[-\\Ring2]": 711,
         
     | 
| 714 | 
         
            +
              "[/Si]": 712,
         
     | 
| 715 | 
         
            +
              "[82Rb+1]": 713,
         
     | 
| 716 | 
         
            +
              ".[Rb+1]": 714,
         
     | 
| 717 | 
         
            +
              "[Si@]": 715,
         
     | 
| 718 | 
         
            +
              "[BH0]": 716,
         
     | 
| 719 | 
         
            +
              "[Branch1]": 717,
         
     | 
| 720 | 
         
            +
              "[=14C]": 718,
         
     | 
| 721 | 
         
            +
              ".[BH0]": 719,
         
     | 
| 722 | 
         
            +
              "[=Se]": 720,
         
     | 
| 723 | 
         
            +
              "[18FH1]": 721,
         
     | 
| 724 | 
         
            +
              "[/B]": 722,
         
     | 
| 725 | 
         
            +
              "[\\C@H1]": 723,
         
     | 
| 726 | 
         
            +
              "[/PH1]": 724,
         
     | 
| 727 | 
         
            +
              "[131I-1]": 725,
         
     | 
| 728 | 
         
            +
              ".[C-1]": 726,
         
     | 
| 729 | 
         
            +
              "[As+1]": 727,
         
     | 
| 730 | 
         
            +
              "[Si]": 728,
         
     | 
| 731 | 
         
            +
              "[\\F]": 729,
         
     | 
| 732 | 
         
            +
              ".[Be+2]": 730,
         
     | 
| 733 | 
         
            +
              "[#14C]": 731,
         
     | 
| 734 | 
         
            +
              "[FeH2-2]": 732,
         
     | 
| 735 | 
         
            +
              "[211At]": 733,
         
     | 
| 736 | 
         
            +
              "[10B]": 734,
         
     | 
| 737 | 
         
            +
              "[127I]": 735,
         
     | 
| 738 | 
         
            +
              "[\\O]": 736,
         
     | 
| 739 | 
         
            +
              "[Se+1]": 737,
         
     | 
| 740 | 
         
            +
              "[14C@@]": 738,
         
     | 
| 741 | 
         
            +
              ".[Al+3]": 739,
         
     | 
| 742 | 
         
            +
              "[PH1]": 740,
         
     | 
| 743 | 
         
            +
              "[=11C]": 741,
         
     | 
| 744 | 
         
            +
              ".[S]": 742,
         
     | 
| 745 | 
         
            +
              "[Se-2]": 743,
         
     | 
| 746 | 
         
            +
              "[47Ca+2]": 744,
         
     | 
| 747 | 
         
            +
              "[NH1]": 745,
         
     | 
| 748 | 
         
            +
              ".[Cs+1]": 746,
         
     | 
| 749 | 
         
            +
              ".[Ag]": 747,
         
     | 
| 750 | 
         
            +
              "[#C]": 748,
         
     | 
| 751 | 
         
            +
              "[/-Ring1]": 749,
         
     | 
| 752 | 
         
            +
              "[I]": 750,
         
     | 
| 753 | 
         
            +
              "[K]": 751,
         
     | 
| 754 | 
         
            +
              ".[As]": 752,
         
     | 
| 755 | 
         
            +
              "[15NH1]": 753,
         
     | 
| 756 | 
         
            +
              ".[2H]": 754,
         
     | 
| 757 | 
         
            +
              "[\\123I]": 755,
         
     | 
| 758 | 
         
            +
              ".[SiH4]": 756,
         
     | 
| 759 | 
         
            +
              "[125I-1]": 757,
         
     | 
| 760 | 
         
            +
              "[\\11CH3]": 758,
         
     | 
| 761 | 
         
            +
              "[123I-1]": 759,
         
     | 
| 762 | 
         
            +
              "[=P@]": 760,
         
     | 
| 763 | 
         
            +
              "[#P]": 761,
         
     | 
| 764 | 
         
            +
              "[C@@H1]": 762,
         
     | 
| 765 | 
         
            +
              "[Cs]": 763,
         
     | 
| 766 | 
         
            +
              "[#S]": 764,
         
     | 
| 767 | 
         
            +
              "[81Kr]": 765,
         
     | 
| 768 | 
         
            +
              "[Cl-1]": 766,
         
     | 
| 769 | 
         
            +
              ".[NH1-1]": 767,
         
     | 
| 770 | 
         
            +
              "[/C@H1]": 768,
         
     | 
| 771 | 
         
            +
              "[NH3+1]": 769,
         
     | 
| 772 | 
         
            +
              ".[MgH2]": 770,
         
     | 
| 773 | 
         
            +
              ".[68Ga+3]": 771,
         
     | 
| 774 | 
         
            +
              "[=Se+1]": 772,
         
     | 
| 775 | 
         
            +
              "[C@@]": 773,
         
     | 
| 776 | 
         
            +
              "[=Te]": 774,
         
     | 
| 777 | 
         
            +
              "[/C@]": 775,
         
     | 
| 778 | 
         
            +
              "[=32PH1]": 776,
         
     | 
| 779 | 
         
            +
              "[=CH1-1]": 777,
         
     | 
| 780 | 
         
            +
              "[22Na+1]": 778,
         
     | 
| 781 | 
         
            +
              ".[Bi+3]": 779,
         
     | 
| 782 | 
         
            +
              "[133Xe]": 780,
         
     | 
| 783 | 
         
            +
              "[/F]": 781
         
     | 
| 784 | 
         
            +
            }
         
     |