Upload folder using huggingface_hub
Browse filesThis view is limited to 50 files because it contains too many changes.
See raw diff
- .gitattributes +12 -0
- README.md +160 -3
- README_ZH.md +156 -0
- pretrain/train/books/medical_case/01_丁光迪.txt +0 -0
- pretrain/train/books/medical_case/02_于己百.txt +0 -0
- pretrain/train/books/medical_case/03_干祖望.txt +0 -0
- pretrain/train/books/medical_case/04_万友生.txt +0 -0
- pretrain/train/books/medical_case/不孕症名医验案解析.txt +0 -0
- pretrain/train/books/medical_case/儿科病名医验案解析.txt +0 -0
- pretrain/train/books/medical_case/全国名中医医案集粹糖尿病.txt +0 -0
- pretrain/train/books/medical_case/名中医特需门诊.txt +0 -0
- pretrain/train/books/medical_case/名老中医畅达汤方辨治疑难症.txt +0 -0
- pretrain/train/books/medical_case/呼吸病名医验案解析.txt +0 -0
- pretrain/train/books/medical_case/妇科病名医验案.txt +0 -0
- pretrain/train/books/medical_case/心脑血管病名医验案解析.txt +0 -0
- pretrain/train/books/medical_case/男性不育症名医验案解析.txt +0 -0
- pretrain/train/books/medical_case/男科病名医验案解析.txt +0 -0
- pretrain/train/books/medical_case/肝胆病名医验案解析.txt +0 -0
- pretrain/train/books/medical_case/胃肠病名医验案解析.txt +0 -0
- pretrain/train/books/medical_case/脾胃病症辑要.txt +0 -0
- pretrain/train/books/medical_case/高血压名医验案解析.txt +0 -0
- pretrain/train/books/national_standard/2022年中药药典.txt +0 -0
- pretrain/train/books/national_standard/中医临床诊疗术语疾病.txt +0 -0
- pretrain/train/books/national_standard/中医临床诊疗术语证候.txt +0 -0
- pretrain/train/books/national_standard/中药成方制剂.txt +0 -0
- pretrain/train/books/textbook/中医中药专业技术资格.txt +0 -0
- pretrain/train/books/textbook/中医基础理论.txt +0 -0
- pretrain/train/books/textbook/中药学.txt +0 -0
- pretrain/train/books/textbook/中药饮片卷.txt +0 -0
- pretrain/train/books/textbook/伤寒论.txt +506 -0
- pretrain/train/books/textbook/方剂学.txt +0 -0
- pretrain/train/books/textbook/药理学.txt +0 -0
- pretrain/train/opendata/ChatMed_TCM-v0.2_.txt +3 -0
- pretrain/train/papers/fix_abstract_segmentation.txt +3 -0
- pretrain/train/web/2019_baidubaike.txt +3 -0
- pretrain/train/web/daiy_data.txt +3 -0
- sft/final_train_data_for_baichuan_format/train_baichuan.json +3 -0
- sft/test/admet_cls.csv +501 -0
- sft/test/admet_cls.json +2502 -0
- sft/test/admet_cls_en.json +0 -0
- sft/test/admet_extract.json +2502 -0
- sft/test/admet_reg.csv +501 -0
- sft/test/admet_reg.json +2502 -0
- sft/test/admet_reg_en.json +0 -0
- sft/test/choice_formula_500_val.csv +0 -0
- sft/test/choice_herb_500_custom_20240407.csv +0 -0
- sft/test/medical_case_500_val.json +0 -0
- sft/test/ner_480.json +0 -0
- sft/test/rc_500.json +0 -0
- sft/test/recommend_500.json +0 -0
.gitattributes
CHANGED
@@ -56,3 +56,15 @@ saved_model/**/* filter=lfs diff=lfs merge=lfs -text
|
|
56 |
# Video files - compressed
|
57 |
*.mp4 filter=lfs diff=lfs merge=lfs -text
|
58 |
*.webm filter=lfs diff=lfs merge=lfs -text
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
56 |
# Video files - compressed
|
57 |
*.mp4 filter=lfs diff=lfs merge=lfs -text
|
58 |
*.webm filter=lfs diff=lfs merge=lfs -text
|
59 |
+
pretrain/train/opendata/ChatMed_TCM-v0.2_.txt filter=lfs diff=lfs merge=lfs -text
|
60 |
+
pretrain/train/papers/fix_abstract_segmentation.txt filter=lfs diff=lfs merge=lfs -text
|
61 |
+
pretrain/train/web/2019_baidubaike.txt filter=lfs diff=lfs merge=lfs -text
|
62 |
+
pretrain/train/web/daiy_data.txt filter=lfs diff=lfs merge=lfs -text
|
63 |
+
sft/final_train_data_for_baichuan_format/train_baichuan.json filter=lfs diff=lfs merge=lfs -text
|
64 |
+
sft/train/admet.json filter=lfs diff=lfs merge=lfs -text
|
65 |
+
sft/train/choice_herb_formula.json filter=lfs diff=lfs merge=lfs -text
|
66 |
+
sft/train/knowledge.json filter=lfs diff=lfs merge=lfs -text
|
67 |
+
sft/train/medical_case.json filter=lfs diff=lfs merge=lfs -text
|
68 |
+
sft/train/reading_comprehension.json filter=lfs diff=lfs merge=lfs -text
|
69 |
+
sft/train/recommend_disease.json filter=lfs diff=lfs merge=lfs -text
|
70 |
+
sft/train/recommend_formula.json filter=lfs diff=lfs merge=lfs -text
|
README.md
CHANGED
@@ -1,3 +1,160 @@
|
|
1 |
-
|
2 |
-
|
3 |
-
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
1 |
+
[**中文**](./README_ZH.md) | [**English**](./README.md)
|
2 |
+
|
3 |
+
<p align="center" width="100%">
|
4 |
+
<a href="https://github.com/daiyizheng/TCMChat" target="_blank"><img src="assets/logo.png" alt="TCMChat" style="width: 25%; min-width: 300px; display: block; margin: auto;"></a>
|
5 |
+
</p>
|
6 |
+
|
7 |
+
# TCMChat: A Generative Large Language Model for Traditional Chinese Medicine
|
8 |
+
|
9 |
+
[![Code License](https://img.shields.io/badge/Code%20License-Apache_2.0-green.svg)](https://github.com/SCIR-HI/Huatuo-Llama-Med-Chinese/blob/main/LICENSE) [![Python 3.10.12](https://img.shields.io/badge/python-3.10.12-blue.svg)](https://www.python.org/downloads/release/python-390/)
|
10 |
+
|
11 |
+
## News
|
12 |
+
|
13 |
+
[2024-5-17] Open source model weight on HuggingFace.
|
14 |
+
|
15 |
+
## Application
|
16 |
+
|
17 |
+
### Install
|
18 |
+
|
19 |
+
```
|
20 |
+
git clone https://github.com/daiyizheng/TCMChat
|
21 |
+
cd TCMChat
|
22 |
+
```
|
23 |
+
First install the dependency package. python environment 3.10+ is recommended.
|
24 |
+
|
25 |
+
```
|
26 |
+
pip install -r requirements.txt
|
27 |
+
```
|
28 |
+
|
29 |
+
### Weights download
|
30 |
+
|
31 |
+
- [TCMChat](https://huggingface.co/daiyizheng/TCMChat): QA and recommendation of TCM knowledge based on baichuan2-7B-Chat.
|
32 |
+
|
33 |
+
### Inference
|
34 |
+
|
35 |
+
#### Command line
|
36 |
+
|
37 |
+
```
|
38 |
+
python cli_infer.py \
|
39 |
+
--model_name_or_path /your/model/path \
|
40 |
+
--model_type chat
|
41 |
+
```
|
42 |
+
|
43 |
+
#### Web demo
|
44 |
+
|
45 |
+
```
|
46 |
+
python gradio_demo.py
|
47 |
+
```
|
48 |
+
|
49 |
+
We provide an online tool:[https://xomics.com.cn/tcmchat](https://xomics.com.cn/tcmchat)
|
50 |
+
|
51 |
+
|
52 |
+
### Retrain
|
53 |
+
|
54 |
+
#### Dataset Download
|
55 |
+
|
56 |
+
- [Pretrain dataset](https://github.com/ZJUFanLab/TCMChat/tree/master/data/pretrain)
|
57 |
+
- [SFT dataset](https://github.com/ZJUFanLab/TCMChat/tree/master/data/sft)
|
58 |
+
- [Benchmark dataset](https://github.com/ZJUFanLab/TCMChat/tree/master/data/evaluate)
|
59 |
+
|
60 |
+
> Note: Currently only sample data is provided. In the near future, we will fully open source the original data.
|
61 |
+
|
62 |
+
|
63 |
+
#### Pre-training
|
64 |
+
|
65 |
+
```shell
|
66 |
+
train_type="pretrain"
|
67 |
+
train_file="data/pretrain/train"
|
68 |
+
validation_file="data/pretrain/test"
|
69 |
+
block_size="1024"
|
70 |
+
deepspeed_dir="data/resources/deepspeed_zero_stage2_config.yml"
|
71 |
+
num_train_epochs="2"
|
72 |
+
export WANDB_PROJECT="TCM-${train_type}"
|
73 |
+
date_time=$(date +"%Y%m%d%H%M%S")
|
74 |
+
run_name="${date_time}_${block_size}"
|
75 |
+
model_name_or_path="your/path/Baichuan2-7B-Chat"
|
76 |
+
output_dir="output/${train_type}/${date_time}_${block_size}"
|
77 |
+
|
78 |
+
|
79 |
+
accelerate launch --config_file ${deepspeed_dir} src/pretraining.py \
|
80 |
+
--model_name_or_path ${model_name_or_path} \
|
81 |
+
--train_file ${train_file} \
|
82 |
+
--validation_file ${validation_file} \
|
83 |
+
--preprocessing_num_workers 20 \
|
84 |
+
--cache_dir ./cache \
|
85 |
+
--block_size ${block_size} \
|
86 |
+
--seed 42 \
|
87 |
+
--do_train \
|
88 |
+
--do_eval \
|
89 |
+
--per_device_train_batch_size 32 \
|
90 |
+
--per_device_eval_batch_size 32 \
|
91 |
+
--num_train_epochs ${num_train_epochs} \
|
92 |
+
--low_cpu_mem_usage True \
|
93 |
+
--torch_dtype bfloat16 \
|
94 |
+
--bf16 \
|
95 |
+
--ddp_find_unused_parameters False \
|
96 |
+
--gradient_checkpointing True \
|
97 |
+
--learning_rate 2e-4 \
|
98 |
+
--warmup_ratio 0.05 \
|
99 |
+
--weight_decay 0.01 \
|
100 |
+
--report_to wandb \
|
101 |
+
--run_name ${run_name} \
|
102 |
+
--logging_dir logs \
|
103 |
+
--logging_strategy steps \
|
104 |
+
--logging_steps 10 \
|
105 |
+
--eval_steps 50 \
|
106 |
+
--evaluation_strategy steps \
|
107 |
+
--save_steps 100 \
|
108 |
+
--save_strategy steps \
|
109 |
+
--save_total_limit 13 \
|
110 |
+
--output_dir ${output_dir} \
|
111 |
+
--overwrite_output_dir
|
112 |
+
```
|
113 |
+
|
114 |
+
#### Fine-tuning
|
115 |
+
|
116 |
+
```shell
|
117 |
+
train_type="SFT"
|
118 |
+
model_max_length="1024"
|
119 |
+
date_time=$(date +"%Y%m%d%H%M%S")
|
120 |
+
data_path="data/sft/sample_train_baichuan_data.json"
|
121 |
+
model_name_or_path="your/path/pretrain"
|
122 |
+
deepspeed_dir="data/resources/deepspeed_zero_stage2_confi_baichuan2.json"
|
123 |
+
export WANDB_PROJECT="TCM-${train_type}"
|
124 |
+
run_name="${train_type}_${date_time}"
|
125 |
+
output_dir="output/${train_type}/${date_time}_${model_max_length}"
|
126 |
+
|
127 |
+
|
128 |
+
deepspeed --hostfile="" src/fine-tune.py \
|
129 |
+
--report_to "wandb" \
|
130 |
+
--run_name ${run_name} \
|
131 |
+
--data_path ${data_path} \
|
132 |
+
--model_name_or_path ${model_name_or_path} \
|
133 |
+
--output_dir ${output_dir} \
|
134 |
+
--model_max_length ${model_max_length} \
|
135 |
+
--num_train_epochs 4 \
|
136 |
+
--per_device_train_batch_size 16 \
|
137 |
+
--gradient_accumulation_steps 1 \
|
138 |
+
--save_strategy epoch \
|
139 |
+
--learning_rate 2e-5 \
|
140 |
+
--lr_scheduler_type constant \
|
141 |
+
--adam_beta1 0.9 \
|
142 |
+
--adam_beta2 0.98 \
|
143 |
+
--adam_epsilon 1e-8 \
|
144 |
+
--max_grad_norm 1.0 \
|
145 |
+
--weight_decay 1e-4 \
|
146 |
+
--warmup_ratio 0.0 \
|
147 |
+
--logging_steps 1 \
|
148 |
+
--gradient_checkpointing True \
|
149 |
+
--deepspeed ${deepspeed_dir} \
|
150 |
+
--bf16 True \
|
151 |
+
--tf32 True
|
152 |
+
```
|
153 |
+
|
154 |
+
### Training details
|
155 |
+
|
156 |
+
Please refer to the experimental section of the paper for instructions.
|
157 |
+
|
158 |
+
|
159 |
+
|
160 |
+
|
README_ZH.md
ADDED
@@ -0,0 +1,156 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
1 |
+
[**中文**](./README_ZH.md) | [**English**](./README.md)
|
2 |
+
|
3 |
+
<p align="center" width="100%">
|
4 |
+
<a href="https://github.com/daiyizheng/TCMChat" target="_blank"><img src="assets/logo.png" alt="TCMChat" style="width: 25%; min-width: 300px; display: block; margin: auto;"></a>
|
5 |
+
</p>
|
6 |
+
|
7 |
+
# TCMChat: Traditional Chinese Medicine Recommendation System based on Large Language Model
|
8 |
+
|
9 |
+
[![Code License](https://img.shields.io/badge/Code%20License-Apache_2.0-green.svg)](https://github.com/SCIR-HI/Huatuo-Llama-Med-Chinese/blob/main/LICENSE) [![Python 3.10.12](https://img.shields.io/badge/python-3.10.12-blue.svg)](https://www.python.org/downloads/release/python-390/)
|
10 |
+
|
11 |
+
## 新闻
|
12 |
+
|
13 |
+
[2024-5-17] huggingface 开源模型权重
|
14 |
+
|
15 |
+
## 应用
|
16 |
+
|
17 |
+
### 安装
|
18 |
+
|
19 |
+
```
|
20 |
+
git clone https://github.com/daiyizheng/TCMChat
|
21 |
+
cd TCMChat
|
22 |
+
```
|
23 |
+
|
24 |
+
首先安装依赖包,python环境建议3.10+
|
25 |
+
|
26 |
+
```
|
27 |
+
pip install -r requirements.txt
|
28 |
+
```
|
29 |
+
|
30 |
+
### 权重下载
|
31 |
+
|
32 |
+
- [TCMChat](https://huggingface.co/daiyizheng/TCMChat): 基于baichuan2-7B-Chat的中药、方剂知识问答与推荐。
|
33 |
+
|
34 |
+
### 推理
|
35 |
+
|
36 |
+
#### 命令行测试
|
37 |
+
|
38 |
+
```
|
39 |
+
python cli_infer.py \
|
40 |
+
--model_name_or_path /your/model/path \
|
41 |
+
--model_type chat
|
42 |
+
```
|
43 |
+
|
44 |
+
#### Web页面测试
|
45 |
+
|
46 |
+
```
|
47 |
+
python gradio_demo.py
|
48 |
+
```
|
49 |
+
|
50 |
+
我们提供了一个在线的体验工具:[https://xomics.com.cn/tcmchat](https://xomics.com.cn/tcmchat)
|
51 |
+
|
52 |
+
|
53 |
+
### 重新训练
|
54 |
+
#### 数据集下载
|
55 |
+
|
56 |
+
- [预训练数据](https://github.com/ZJUFanLab/TCMChat/tree/master/data/pretrain)
|
57 |
+
- [微调数据](https://github.com/ZJUFanLab/TCMChat/tree/master/data/sft)
|
58 |
+
- [基准评测数据](https://github.com/ZJUFanLab/TCMChat/tree/master/data/evaluate)
|
59 |
+
|
60 |
+
> 注意:目前只提供样例数据,不久将来,我们将完全开源原始数据
|
61 |
+
|
62 |
+
|
63 |
+
#### 预训练
|
64 |
+
|
65 |
+
```shell
|
66 |
+
train_type="pretrain"
|
67 |
+
train_file="data/pretrain/train"
|
68 |
+
validation_file="data/pretrain/test"
|
69 |
+
block_size="1024"
|
70 |
+
deepspeed_dir="data/resources/deepspeed_zero_stage2_config.yml"
|
71 |
+
num_train_epochs="2"
|
72 |
+
export WANDB_PROJECT="TCM-${train_type}"
|
73 |
+
date_time=$(date +"%Y%m%d%H%M%S")
|
74 |
+
run_name="${date_time}_${block_size}"
|
75 |
+
model_name_or_path="your/path/Baichuan2-7B-Chat"
|
76 |
+
output_dir="output/${train_type}/${date_time}_${block_size}"
|
77 |
+
|
78 |
+
|
79 |
+
accelerate launch --config_file ${deepspeed_dir} src/pretraining.py \
|
80 |
+
--model_name_or_path ${model_name_or_path} \
|
81 |
+
--train_file ${train_file} \
|
82 |
+
--validation_file ${validation_file} \
|
83 |
+
--preprocessing_num_workers 20 \
|
84 |
+
--cache_dir ./cache \
|
85 |
+
--block_size ${block_size} \
|
86 |
+
--seed 42 \
|
87 |
+
--do_train \
|
88 |
+
--do_eval \
|
89 |
+
--per_device_train_batch_size 32 \
|
90 |
+
--per_device_eval_batch_size 32 \
|
91 |
+
--num_train_epochs ${num_train_epochs} \
|
92 |
+
--low_cpu_mem_usage True \
|
93 |
+
--torch_dtype bfloat16 \
|
94 |
+
--bf16 \
|
95 |
+
--ddp_find_unused_parameters False \
|
96 |
+
--gradient_checkpointing True \
|
97 |
+
--learning_rate 2e-4 \
|
98 |
+
--warmup_ratio 0.05 \
|
99 |
+
--weight_decay 0.01 \
|
100 |
+
--report_to wandb \
|
101 |
+
--run_name ${run_name} \
|
102 |
+
--logging_dir logs \
|
103 |
+
--logging_strategy steps \
|
104 |
+
--logging_steps 10 \
|
105 |
+
--eval_steps 50 \
|
106 |
+
--evaluation_strategy steps \
|
107 |
+
--save_steps 100 \
|
108 |
+
--save_strategy steps \
|
109 |
+
--save_total_limit 13 \
|
110 |
+
--output_dir ${output_dir} \
|
111 |
+
--overwrite_output_dir
|
112 |
+
```
|
113 |
+
|
114 |
+
#### 微调
|
115 |
+
```shell
|
116 |
+
train_type="SFT"
|
117 |
+
model_max_length="1024"
|
118 |
+
date_time=$(date +"%Y%m%d%H%M%S")
|
119 |
+
data_path="data/sft/sample_train_baichuan_data.json"
|
120 |
+
model_name_or_path="your/path/pretrain"
|
121 |
+
deepspeed_dir="data/resources/deepspeed_zero_stage2_confi_baichuan2.json"
|
122 |
+
export WANDB_PROJECT="TCM-${train_type}"
|
123 |
+
run_name="${train_type}_${date_time}"
|
124 |
+
output_dir="output/${train_type}/${date_time}_${model_max_length}"
|
125 |
+
|
126 |
+
|
127 |
+
deepspeed --hostfile="" src/fine-tune.py \
|
128 |
+
--report_to "wandb" \
|
129 |
+
--run_name ${run_name} \
|
130 |
+
--data_path ${data_path} \
|
131 |
+
--model_name_or_path ${model_name_or_path} \
|
132 |
+
--output_dir ${output_dir} \
|
133 |
+
--model_max_length ${model_max_length} \
|
134 |
+
--num_train_epochs 4 \
|
135 |
+
--per_device_train_batch_size 16 \
|
136 |
+
--gradient_accumulation_steps 1 \
|
137 |
+
--save_strategy epoch \
|
138 |
+
--learning_rate 2e-5 \
|
139 |
+
--lr_scheduler_type constant \
|
140 |
+
--adam_beta1 0.9 \
|
141 |
+
--adam_beta2 0.98 \
|
142 |
+
--adam_epsilon 1e-8 \
|
143 |
+
--max_grad_norm 1.0 \
|
144 |
+
--weight_decay 1e-4 \
|
145 |
+
--warmup_ratio 0.0 \
|
146 |
+
--logging_steps 1 \
|
147 |
+
--gradient_checkpointing True \
|
148 |
+
--deepspeed ${deepspeed_dir} \
|
149 |
+
--bf16 True \
|
150 |
+
--tf32 True
|
151 |
+
```
|
152 |
+
|
153 |
+
### 训练细节
|
154 |
+
|
155 |
+
请参考论文实验部分说明。
|
156 |
+
|
pretrain/train/books/medical_case/01_丁光迪.txt
ADDED
The diff for this file is too large to render.
See raw diff
|
|
pretrain/train/books/medical_case/02_于己百.txt
ADDED
The diff for this file is too large to render.
See raw diff
|
|
pretrain/train/books/medical_case/03_干祖望.txt
ADDED
The diff for this file is too large to render.
See raw diff
|
|
pretrain/train/books/medical_case/04_万友生.txt
ADDED
The diff for this file is too large to render.
See raw diff
|
|
pretrain/train/books/medical_case/不孕症名医验案解析.txt
ADDED
The diff for this file is too large to render.
See raw diff
|
|
pretrain/train/books/medical_case/儿科病名医验案解析.txt
ADDED
The diff for this file is too large to render.
See raw diff
|
|
pretrain/train/books/medical_case/全国名中医医案集粹糖尿病.txt
ADDED
The diff for this file is too large to render.
See raw diff
|
|
pretrain/train/books/medical_case/名中医特需门诊.txt
ADDED
The diff for this file is too large to render.
See raw diff
|
|
pretrain/train/books/medical_case/名老中医畅达汤方辨治疑难症.txt
ADDED
The diff for this file is too large to render.
See raw diff
|
|
pretrain/train/books/medical_case/呼吸病名医验案解析.txt
ADDED
The diff for this file is too large to render.
See raw diff
|
|
pretrain/train/books/medical_case/妇科病名医验案.txt
ADDED
The diff for this file is too large to render.
See raw diff
|
|
pretrain/train/books/medical_case/心脑血管病名医验案解析.txt
ADDED
The diff for this file is too large to render.
See raw diff
|
|
pretrain/train/books/medical_case/男性不育症名医验案解析.txt
ADDED
The diff for this file is too large to render.
See raw diff
|
|
pretrain/train/books/medical_case/男科病名医验案解析.txt
ADDED
The diff for this file is too large to render.
See raw diff
|
|
pretrain/train/books/medical_case/肝胆病名医验案解析.txt
ADDED
The diff for this file is too large to render.
See raw diff
|
|
pretrain/train/books/medical_case/胃肠病名医验案解析.txt
ADDED
The diff for this file is too large to render.
See raw diff
|
|
pretrain/train/books/medical_case/脾胃病症辑要.txt
ADDED
The diff for this file is too large to render.
See raw diff
|
|
pretrain/train/books/medical_case/高血压名医验案解析.txt
ADDED
The diff for this file is too large to render.
See raw diff
|
|
pretrain/train/books/national_standard/2022年中药药典.txt
ADDED
The diff for this file is too large to render.
See raw diff
|
|
pretrain/train/books/national_standard/中医临床诊疗术语疾病.txt
ADDED
The diff for this file is too large to render.
See raw diff
|
|
pretrain/train/books/national_standard/中医临床诊疗术语证候.txt
ADDED
The diff for this file is too large to render.
See raw diff
|
|
pretrain/train/books/national_standard/中药成方制剂.txt
ADDED
The diff for this file is too large to render.
See raw diff
|
|
pretrain/train/books/textbook/中医中药专业技术资格.txt
ADDED
The diff for this file is too large to render.
See raw diff
|
|
pretrain/train/books/textbook/中医基础理论.txt
ADDED
The diff for this file is too large to render.
See raw diff
|
|
pretrain/train/books/textbook/中药学.txt
ADDED
The diff for this file is too large to render.
See raw diff
|
|
pretrain/train/books/textbook/中药饮片卷.txt
ADDED
The diff for this file is too large to render.
See raw diff
|
|
pretrain/train/books/textbook/伤寒论.txt
ADDED
@@ -0,0 +1,506 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
1 |
+
桂枝汤类方
|
2 |
+
一、桂枝汤
|
3 |
+
1、太阳病,发热汗出,恶风而脉浮弱者。
|
4 |
+
2、病常自汗出,或时发热汗出者。
|
5 |
+
3、发汗或下之,而表未解者。
|
6 |
+
4、阳明病,脉迟,虽汗出多。而微恶寒,表未解者。
|
7 |
+
5、病下利而脉浮弱者。
|
8 |
+
6、霍乱吐利止,而身疼不休者。
|
9 |
+
二、桂枝加桂汤方
|
10 |
+
【辨证要点】治桂枝汤证而气上冲剧甚者。
|
11 |
+
三、桂枝加芍药汤方
|
12 |
+
【辨证要点】桂枝汤证见腹拘急而满痛者。
|
13 |
+
四、桂枝加大黄汤方
|
14 |
+
【辨证要点】桂枝加大黄汤证,即桂枝加芍药汤证又见里实拒按,或大便不通者。
|
15 |
+
五、桂枝加葛根汤方
|
16 |
+
【辨证要点】桂枝汤证,又见项背肌肉强急。
|
17 |
+
六、栝蒌桂枝汤方
|
18 |
+
【辨证要点】病见桂枝汤证,又见痉挛拘急症状,口渴、脉沉者,可辨为本方证。
|
19 |
+
七、桂枝加黄芪汤方
|
20 |
+
【辨证要点】桂枝汤证更汗出恶风、不渴者,即表虚不固甚者宜用本方治之。
|
21 |
+
八、黄芪芍药桂枝苦酒汤方
|
22 |
+
【辨证要点】桂枝汤证汗出恶风、汗色黄粘、口渴者本方主之。
|
23 |
+
九、桂枝加附子汤方
|
24 |
+
【辨证要点】桂枝汤证更见汗出恶风明显,小便难,脉沉细、四肢微急者。
|
25 |
+
十、桂枝加芍药生姜各一两人参三两新加汤方
|
26 |
+
【辨证要点】桂枝汤证更见身疼明显,纳差、脉沉迟者可选用本方。
|
27 |
+
十一、桂枝加厚朴杏子汤方
|
28 |
+
【辨证要点】桂枝汤证,咳喘病人不论新久,见汗出恶风脉缓者宜用本方。
|
29 |
+
十二、桂枝加龙骨牡蛎汤方
|
30 |
+
【辨证要点】桂枝汤证兼见失精梦交、脉见虚象者多可与本方。
|
31 |
+
十三、小建中汤方
|
32 |
+
【辨证要点】桂枝汤证兼见腹中急痛,或见心悸而不呕者。
|
33 |
+
十四、当归建中汤方
|
34 |
+
【辨证要点】桂枝汤证又见血虚明显者。
|
35 |
+
十五、黄芪建中汤方
|
36 |
+
小建中汤证而有黄芪证者。
|
37 |
+
【辨证要点】里急腹痛,汗出恶风甚者宜本方主之。
|
38 |
+
十六、黄芪桂枝五物汤方
|
39 |
+
【辨证要点】肢体麻木不仁,脉虚弱,无实象者可选用本方。
|
40 |
+
十七、桂枝去芍药汤方
|
41 |
+
【辨证要点】桂枝杨证又见寸脉浮关尺脉沉,症见胸满,或心悸头晕,或气上冲者可用本方治之。
|
42 |
+
十八、桂枝去芍药加附子汤方
|
43 |
+
【辨证要点】桂枝去芍药汤证又见脉沉细,症有恶寒者宜用本方。
|
44 |
+
十九、桂枝附子汤方
|
45 |
+
【辨证要点】表虚寒,关节痛疼,脉浮虚而涩者;可用本方治之。
|
46 |
+
二十、去桂加白术汤方
|
47 |
+
【辨证要点】桂枝附子汤证无气上冲,而见小便自利、大便偏干者。
|
48 |
+
二十一、桂枝去芍药加茯苓白术汤方
|
49 |
+
【辨证要点】身痛、关节痛、小便不利者可选用本方。
|
50 |
+
二十二、甘草附子汤方
|
51 |
+
【辨证要点】表虚寒证见关节痛剧,汗出恶风,小便不利者。
|
52 |
+
二十三、桂枝去芍药加皂荚汤方
|
53 |
+
【辨证要点】桂枝去芍药汤证而痰涎多者。
|
54 |
+
二十四、桂枝去芍药加蜀漆牡蛎龙骨汤方
|
55 |
+
【辨证要点】桂枝去芍药汤证有痰饮惊狂者。
|
56 |
+
二十五、桂枝甘草汤方
|
57 |
+
【辨证要点】心下悸欲得按而无里实证者。
|
58 |
+
二十六、半夏散及汤方
|
59 |
+
【辨证要点】咽痛,有表证而口不渴者。
|
60 |
+
二十七、桂枝甘草龙骨牡蛎汤方
|
61 |
+
【辨证要点】桂枝甘草汤证又见烦躁惊悸者。
|
62 |
+
二十八、防己茯苓汤方
|
63 |
+
【辨证要点】表虚伴见四肢肿者。
|
64 |
+
二十九、防己黄芪汤方
|
65 |
+
【辨证要点】四肢浮肿、汗出恶风明显者。
|
66 |
+
三十、桂枝人参汤方
|
67 |
+
【辨证要点】桂枝甘草汤证又见理中汤证者。
|
68 |
+
三十一、白虎加桂枝汤方
|
69 |
+
【辨证要点】桂枝甘草汤证又见白虎汤证者。
|
70 |
+
三十二、苓桂术甘汤方
|
71 |
+
【辨证要点】头晕目眩、或短气小便不利见气上冲者。
|
72 |
+
三十三、苓桂枣甘汤方
|
73 |
+
【辨证要点】桂枝甘草汤证见脐下悸动、气上冲者。
|
74 |
+
三十四、茯苓甘草汤方
|
75 |
+
【辨证要点】桂枝甘草汤证又见心下悸者。
|
76 |
+
三十五、茯苓泽泻汤方
|
77 |
+
【辨证要点】茯苓甘草汤证又见口渴思饮而呕吐明显者。
|
78 |
+
三十六、苓桂五味甘草汤方
|
79 |
+
【辨证要点】桂枝甘草汤证又见咳逆上气有痰饮者。
|
80 |
+
三十七、苓甘五味姜辛汤方
|
81 |
+
【辨证要点】咳而胸满,吐白痰,口不渴者。
|
82 |
+
三十八、苓甘五味姜辛夏汤方
|
83 |
+
【辨证要点】咳而胸满,吐稀白痰,头晕呕逆者。
|
84 |
+
三十九、苓甘五味姜辛夏杏汤方
|
85 |
+
【辨证要点】苓甘五味姜辛夏汤证兼见头面或四肢浮肿者。
|
86 |
+
四十、苓甘五味姜辛夏杏大黄汤方
|
87 |
+
【辨证要点】苓甘五味姜辛夏杏汤证兼见上热而大便难者。
|
88 |
+
四十一、五苓散方
|
89 |
+
【辨证要点】表虚证兼见心下停饮、小便不利者。
|
90 |
+
麻黄汤类方
|
91 |
+
一、麻黄汤方
|
92 |
+
【辨证要点】
|
93 |
+
1、太阳病,头痛,发热、身疼、腰痛、骨节疼痛、恶风、无汗而喘者。
|
94 |
+
2、太阳阳明合病,喘而胸满者。
|
95 |
+
3、太阳病,脉浮紧、无汗、发热、身疼痛者.
|
96 |
+
4、太阳���寒脉浮紧、不发汗因致衄者。
|
97 |
+
5、阳明病,脉浮、无汗而喘者。
|
98 |
+
二、麻黄加术汤方
|
99 |
+
【辨证要点】麻黄汤证而见湿痹烦痛者。
|
100 |
+
三、麻黄杏仁薏苡甘草汤方
|
101 |
+
【辨证要点】周身关节痛、发热身重或肿者。
|
102 |
+
四、麻杏甘石汤方
|
103 |
+
【辨证要点】汗出而喘,口干烦满而不恶风者。
|
104 |
+
五、越婢汤方
|
105 |
+
【辨证要点】周身浮肿、脉浮、恶风者有汗,
|
106 |
+
六、越婢加术汤方
|
107 |
+
【辨证要点】越婢加术汤用于越婢汤方证见小便不利、或湿痹痛者。
|
108 |
+
七、越婢加半夏汤方
|
109 |
+
咳逆喘息气粗,痰黄或白,粘稠难咯,胸满烦躁,目胀睛突,或发热汗出,或微恶寒,溲黄便干,口渴欲饮,舌质暗红,苔黄或黄腻,脉滑数(肺气肿)
|
110 |
+
【辨证要点】越婢汤证兼见咳逆上气、两目发胀或头痛者。
|
111 |
+
八、甘草麻黄汤方
|
112 |
+
【辨证要点】浮肿表实无汗者。
|
113 |
+
九、麻黄附子甘草汤方
|
114 |
+
【辨证要点】表虚寒证见恶寒、无汗、脉微细。
|
115 |
+
十、麻黄附子汤方
|
116 |
+
【辨证要点】少阴病兼见浮肿明显、无汗恶寒者。
|
117 |
+
十一、麻黄附子细辛汤方
|
118 |
+
【辨证要点】少阴病兼寒饮,即恶寒无汗脉沉者。
|
119 |
+
十二、葛根汤方
|
120 |
+
【辨证要点】太阳病,项背强几几、无汗恶风或见下利者。
|
121 |
+
十三、葛根加半夏汤方
|
122 |
+
【辨证要点】葛根汤证兼见呕逆或下利者。
|
123 |
+
十四、葛根黄芩黄连汤方(热下利腹不痛)黄芩汤(热下利)黄芩加半夏汤(热下利腹痛)黄连汤(腹中痛欲呕吐,寒热并结)
|
124 |
+
【辨证要点】下利、汗出、不恶寒、脉浮数者。
|
125 |
+
-------------------------------------
|
126 |
+
【附】临床常用的葛根汤加味方
|
127 |
+
1、葛根加生石膏汤
|
128 |
+
即于葛根汤再加生石膏45~100克。煎服法同原方,治葛根汤证口舌干燥者。
|
129 |
+
2、葛根加桔梗汤
|
130 |
+
即于葛根汤加桔梗9克。煎服法同原方。治葛根汤证咽痛或排痰困难者。
|
131 |
+
3、葛根加薏苡仁汤
|
132 |
+
即于葛根汤加薏苡仁15~30克。煎服法同原方,治葛根汤证关节痛或有痈脓者
|
133 |
+
4、葛根加术附汤
|
134 |
+
即于葛根汤加白术、附子各10克。煎服法同原方,治葛根汤证而关节疼烦者。
|
135 |
+
5、葛根加苓术附汤
|
136 |
+
即于葛根汤加术附汤再加茯苓10克。煎服法同原方,治葛根加术附汤证而有茯苓证者。此和上方对于腰背拘急痛尤效,试用于脊髓炎亦有良效。
|
137 |
+
--------------------------------------------------
|
138 |
+
十五、桂枝麻黄各半汤方
|
139 |
+
【辨证要点】太阳病发热恶寒见身痒者。
|
140 |
+
十六、桂枝二麻黄一汤
|
141 |
+
【辨证要点】桂枝汤证多而麻黄汤证少者。
|
142 |
+
十七、桂枝二越婢一汤方
|
143 |
+
【辨证要点】桂枝汤证多,越婢汤证少者。
|
144 |
+
十八、大青龙汤方
|
145 |
+
【辨证要点】桂枝扬证、越婢汤证并见者。
|
146 |
+
十九、文蛤汤方
|
147 |
+
【辨证要点】麻杏甘石汤证合并越婢汤证又见口渴明显者。
|
148 |
+
二十、小青龙汤方
|
149 |
+
【辨证要点】外邪里饮而致咳喘者。
|
150 |
+
二十一、小青龙加石膏汤方
|
151 |
+
【辨证要点】小青龙汤证兼烦躁者。
|
152 |
+
二十二、射干麻黄汤方
|
153 |
+
【辨证要点】小青龙汤证喉中痰鸣明显者。
|
154 |
+
二十三、厚朴麻黄汤方
|
155 |
+
【辨证要点】咳喘胸满,脉浮者。
|
156 |
+
二十四、桂枝去芍药加麻黄附子细辛汤方
|
157 |
+
【辨证要点】手足逆冷、恶寒、身痛者。
|
158 |
+
二十五、麻黄连翘赤小豆汤方
|
159 |
+
【辨证要点】表实无汗、或身黄、目黄、或身痒者。
|
160 |
+
二十六、续命汤方
|
161 |
+
【辨证要点】中虚身痛或麻木者。
|
162 |
+
二十七、桂枝芍药知母汤方
|
163 |
+
【辨证要点】关节痛疼、肢体肿而气冲呕逆者。
|
164 |
+
二十八、三黄汤方
|
165 |
+
【辨证要点】关节疼痛、无汗恶寒而烦热者。
|
166 |
+
二十九、牡蛎汤方
|
167 |
+
【辨证要点】疟疾寒多热少,无汗身疼者。
|
168 |
+
三十、麻黄升麻汤方
|
169 |
+
【辨证要点】伤寒表里不解,上热下寒,症见咽喉不利、腹泄、手足逆冷、脉沉迟者。
|
170 |
+
三十一、升麻鳖甲汤万
|
171 |
+
【方解】升麻伍以蜀椒解肌致汗,伍以甘草解百毒,并治咽痛。
|
172 |
+
复用鳖甲、当归和血驱痛,用雄黄攻肿毒痈脓,故此治疫证咽喉痛而有痈脓或瘀血之变者。
|
173 |
+
承气汤类方
|
174 |
+
一、大承气汤方
|
175 |
+
(堵在大肠,肚脐周围,不放屁)
|
176 |
+
【辨证要点】
|
177 |
+
1、阳明病脉迟、汗出、不恶寒、发潮热、手足濈然而汗出者。
|
178 |
+
2、不大便、发潮热而谵语者。
|
179 |
+
3、阳明病谵语有潮热、不能食有燥屎、能食屎定硬者。
|
180 |
+
4、汗出谵语、无太阳证者。
|
181 |
+
5、发潮热、手足漐漐汗出、大便难而谵语者。
|
182 |
+
6、心中懊憹而烦、胃中有燥屎者。
|
183 |
+
7、不大便五六日、绕脐痛、烦躁发作有时者。
|
184 |
+
8、病人烦热汗出则解,日晡发热而脉实者。
|
185 |
+
9、大下后六七日不大便、烦不解、腹满痛者。
|
186 |
+
10、小便不利、大便乍难乍易、有时微热、喘冒不能卧者。
|
187 |
+
11、脉弱、烦躁心下硬、六七日不大便、小便利者。
|
188 |
+
12、伤寒六七日,目中不了了、睛不和,无表里证,大便难身微热者;
|
189 |
+
13、少阴病自利清水,色纯青、心下必痛、口干燥者。
|
190 |
+
14、少阴病六七日腹胀不大便者。
|
191 |
+
15、下利脉滑而数、或脉迟而滑、不欲食者。
|
192 |
+
二、小承气汤方
|
193 |
+
(堵在小肠,肚脐以下,会放屁)
|
194 |
+
【辨证要点】阳明病,胃中燥、大便硬、而无潮热者。
|
195 |
+
三、调胃承气汤方
|
196 |
+
(堵在十二指肠,中脘下有压痛点)
|
197 |
+
【辨证要点】阳明病,见腹实证,心烦、或谵语、发热者。
|
198 |
+
四、桃仁承气汤
|
199 |
+
【辨证要点】小便利
|
200 |
+
五、大黄甘草汤方
|
201 |
+
(实证,在胃,吃嘛吐嘛)吴茱萸汤(虚证,食谷欲吐)
|
202 |
+
【辨证要点】阳明病,大便难而急迫者。
|
203 |
+
六、厚朴三物汤方
|
204 |
+
【辨证要点】胸腹胀满而痛、大便闭结者。
|
205 |
+
七、厚朴七物汤方
|
206 |
+
厚朴三物汤与桂枝去芍药汤的合方,故治二方合并证。
|
207 |
+
【辨证要点】发热腹满,大便干结者。
|
208 |
+
八、麻子仁丸方
|
209 |
+
【辨证要点】经常便秘而无所苦者
|
210 |
+
白虎汤类方
|
211 |
+
一、白虎汤方
|
212 |
+
【辨证要点】阳明病,自汗出,脉滑数者。
|
213 |
+
二、白虎加人参汤方
|
214 |
+
【辨证要点】白虎汤证见口渴明显者。治疗消渴(上消)
|
215 |
+
下瘀血汤类方
|
216 |
+
一、下瘀血汤方
|
217 |
+
【辨证要点】少腹痛、硬满,大便干结者。
|
218 |
+
二、桃核承气汤方
|
219 |
+
(小便不利)
|
220 |
+
【辨证要点】调胃承气汤证,见腹痛有定处、气上冲者。
|
221 |
+
三、大黄牡丹皮汤方
|
222 |
+
(右脚弓,足三里下一寸阑尾穴有压痛)苡附子败酱散,类似阑尾炎,隐隐痛,右脚不弓,手上生命线处有紫斑)
|
223 |
+
【辨证要点】右腹痛拒按、里实者。
|
224 |
+
四、抵当汤方
|
225 |
+
(小便利)
|
226 |
+
【辨证要点】少腹硬满、小便利、或喜忘、或狂躁不安者。
|
227 |
+
五、抵当丸方
|
228 |
+
【辨证要点】抵当汤证较轻者。
|
229 |
+
六、大黄蟅虫丸方
|
230 |
+
【辨证要点】虚劳证见面目黯黑、肌肤甲错者。
|
231 |
+
七、桂枝茯苓丸方
|
232 |
+
【辨证要点】久有瘀血、腹痛胁痛,或有肿块、或下血者。
|
233 |
+
八、土瓜根散方
|
234 |
+
【辨证要点】腹满痛、痛有定处而有热者。
|
235 |
+
大陷胸类汤
|
236 |
+
一、大陷胸汤方
|
237 |
+
(痛往下走)
|
238 |
+
【辨证要点】心下结硬、满痛拒按而烦躁者。
|
239 |
+
二、大陷胸丸方
|
240 |
+
(痛往上走)
|
241 |
+
【辨证要点】心下结硬,疼痛较轻而项背强急者。
|
242 |
+
三、十枣汤方
|
243 |
+
(围绕肋骨一圈痛)
|
244 |
+
【辨证要点】咳而胸闷胁痛、心下痞硬满、脉沉弦者。
|
245 |
+
四、甘遂半夏汤方
|
246 |
+
【辨证要点】心下坚满,腹挛急者。
|
247 |
+
五、大黄甘遂汤方
|
248 |
+
(血与水并结)
|
249 |
+
【辨证要点】少腹满痛、小便不利、大便不畅者。
|
250 |
+
六、己椒苈黄丸方
|
251 |
+
【辨证要点】腹满、肠鸣、便干者。
|
252 |
+
七、小陷胸汤
|
253 |
+
【辨证要点】胸膈满闷、心烦、按之心下痛者。
|
254 |
+
泻心汤类方
|
255 |
+
一、泻心汤方
|
256 |
+
【辨证要点】心烦吐衄、大便干者。
|
257 |
+
二、大黄黄连泻心汤方
|
258 |
+
【辨证要点】心烦、心下痞者。
|
259 |
+
三、附子泻心汤方
|
260 |
+
【辨证要点】心下痞、恶寒汗出者。
|
261 |
+
四、大黄硝石汤方
|
262 |
+
【辨证要点】实热黄疸,大便干、小便黄少者。
|
263 |
+
五、茵陈蒿汤方
|
264 |
+
(上热中湿下实)栀子柏皮汤(无表证无里实,上热下热)麻黄连翘赤小豆汤(有表证,无汗)
|
265 |
+
【辨证要点】阳黄见大便干,小便不利者。
|
266 |
+
六、栀子大黄汤方
|
267 |
+
【辨证要点】栀子豉汤证又见腹胀满、大便难者。
|
268 |
+
七、大黄汤或丸方
|
269 |
+
【辨证要点】心烦、心下痞满、大便难者
|
270 |
+
干姜附子类
|
271 |
+
一、干姜附子汤
|
272 |
+
(少阴病,烦躁昼甚夜安)
|
273 |
+
【辨证要点】四逆身冷脉沉微者
|
274 |
+
二、四逆汤
|
275 |
+
(温中祛寒,回阳救逆)
|
276 |
+
【辨证要点】四逆脉微欲绝,里虚寒甚者
|
277 |
+
三、通脉四逆汤
|
278 |
+
(破阴回阳,通达内外)
|
279 |
+
【辨证要点】四逆汤证虚寒更甚
|
280 |
+
四、通脉四逆加猪胆汁汤
|
281 |
+
(回阳救阴)
|
282 |
+
【辨证要点】通脉四逆汤证沉衰更甚,脉欲绝或脉不出
|
283 |
+
五、四逆加人参汤
|
284 |
+
(阳虚血脱。吐利之后,汗多恶寒,四肢厥逆,脉微;或吐利未止)
|
285 |
+
【辨证要点】吐利后,胃气虚衰,脉微弱者
|
286 |
+
六、茯苓四逆汤
|
287 |
+
(回阳益阴,兼伐水邪,伤寒,发汗或下后,病仍不解,烦躁者)
|
288 |
+
【辨证要点】四逆加人参汤证又见心下悸,烦躁及小便不利
|
289 |
+
七、白通汤
|
290 |
+
(少阴病,寒利不止,破阴回阳,宣通上下,少阴病,下利脉微者,与白通汤)
|
291 |
+
【辨证要点】少阴病见下利者。桃花汤(热利不止)
|
292 |
+
甘草干姜汤类方
|
293 |
+
一、甘草干姜汤方
|
294 |
+
【辨证要点】胃虚寒,吐涎沫呕逆者。
|
295 |
+
二、理中汤或丸方
|
296 |
+
【辨证要点】心下痞,大便溏泄,小便少者。
|
297 |
+
三、大建中汤方
|
298 |
+
(中焦寒重)小建中汤(少腹寒)乌梅赤石脂丸(胸的寒痛)
|
299 |
+
【辨证要点】心腹痛剧、呕逆不能食属虚寒者。
|
300 |
+
四、吴茱萸汤方
|
301 |
+
【辨证要点】胃虚寒干呕吐涎沫、胸闷或头痛者。
|
302 |
+
附子汤类
|
303 |
+
一、附子汤
|
304 |
+
胃虚寒饮,骨节痛���下肢拘急痛而脉沉
|
305 |
+
【辨证要点】四逆身冷脉沉微者
|
306 |
+
二、真武汤
|
307 |
+
(阳虚水泛)
|
308 |
+
【辨证要点】头晕心悸,下肢浮肿或痛,脉沉
|
309 |
+
三、附子粳米汤
|
310 |
+
(小肠套叠)
|
311 |
+
【辨证要点】里虚寒,腹痛肠鸣、恶心
|
312 |
+
四、大乌头煎
|
313 |
+
【辨证要点】寒疝腹痛、手足厥逆、脉沉弦者
|
314 |
+
五、大黄附子汤
|
315 |
+
(下焦寒实)
|
316 |
+
【辨证要点】寒湿偏注而见身体某侧、某处疼痛者
|
317 |
+
赤石脂禹余粮类
|
318 |
+
一、赤石脂禹余粮汤。
|
319 |
+
【辨证要点】久利而虚寒者
|
320 |
+
二、桃花汤
|
321 |
+
【辨证要点】虚寒久利,或见脓血者
|
322 |
+
半夏汤类
|
323 |
+
一、小半夏汤。
|
324 |
+
【辨证要点】呕逆或头痛、口不渴者
|
325 |
+
二、生姜半夏汤
|
326 |
+
【辨证要点】小半夏汤证而饮剧者
|
327 |
+
三、小半夏加茯苓汤
|
328 |
+
【辨证要点】小半夏汤证又见心悸头晕者
|
329 |
+
四、半夏干姜散
|
330 |
+
【辨证要点】干呕、吐涎沫而属胃虚寒者
|
331 |
+
五、大半夏汤
|
332 |
+
【辨证要点】胃虚之心下痞、呕吐者
|
333 |
+
六、干姜半夏人参丸
|
334 |
+
【辨证要点】呕吐甚而心下痞硬者
|
335 |
+
七、厚朴生姜半夏甘草人参汤
|
336 |
+
【辨证要点】中气虚之腹胀满者
|
337 |
+
八、半夏厚朴汤
|
338 |
+
【辨证要点】痰饮气结所致胸满、咽堵、咳逆者
|
339 |
+
九、旋覆代赭汤
|
340 |
+
【辨证要点】心下痞、噫气呕逆者
|
341 |
+
十、泽漆汤
|
342 |
+
【辨证要点】痰饮咳逆而无外感多热者
|
343 |
+
十一、苦酒汤
|
344 |
+
【辨证要点】咽干痛、声音嘶哑表证不明显者
|
345 |
+
橘皮汤类
|
346 |
+
一、橘皮汤
|
347 |
+
【辨证要点】干呕纳差者
|
348 |
+
二、橘皮枳实生姜汤
|
349 |
+
【辨证要点】胸痹短气堵闷者
|
350 |
+
三、橘皮竹茹汤
|
351 |
+
【辨证要点】胃虚嗝逆、呕哕咳逆者
|
352 |
+
四、外台茯苓饮
|
353 |
+
【辨证要点】胸满、腹胀、心下痞、纳差、小便不利
|
354 |
+
黄芩黄连汤类
|
355 |
+
一、黄芩汤
|
356 |
+
【辨证要点】发热腹痛、腹泻者
|
357 |
+
二、黄芩加半夏生姜汤
|
358 |
+
【辨证要点】黄芩汤证见恶心、呕吐者
|
359 |
+
三、六物黄芩汤
|
360 |
+
【辨证要点】干呕下利而心下痞硬者
|
361 |
+
四、三物黄芩汤
|
362 |
+
【辨证要点】里热血热见心烦、手足心热者
|
363 |
+
五、黄连汤
|
364 |
+
【辨证要点】心烦、心下痞满、腹痛或干呕下利者
|
365 |
+
六、黄连阿胶汤
|
366 |
+
【辨证要点】虚烦心悸不得眠、手足心热、或下利便脓血者
|
367 |
+
七、白头翁汤
|
368 |
+
【辨证要点】热痢下重、腹痛者
|
369 |
+
八、白头翁加甘草阿胶汤
|
370 |
+
【辨证要点】白头翁汤证又见血便、粘血便而虚乏少气者
|
371 |
+
九、干姜黄连黄芩人参汤
|
372 |
+
【辨证要点】胸中烦热、恶心呕吐而大便溏者
|
373 |
+
十、半夏泻心汤
|
374 |
+
【辨证要点】上热下寒因见呕而肠鸣、心下痞硬者
|
375 |
+
十一、甘草泻心汤
|
376 |
+
【辨证要点】半夏泻心汤证中气更虚、或见口舌糜烂、肠鸣腹泻、前后阴溃疡者
|
377 |
+
十二、生姜泻心汤
|
378 |
+
【辨证要点】心下痞满、干噫食臭、肠鸣下利者
|
379 |
+
栀子汤类
|
380 |
+
一、栀子豉汤
|
381 |
+
【辨证要点】胸中窒塞而烦闷者
|
382 |
+
二、栀子甘草豉汤
|
383 |
+
【辨证要点】栀子豉汤证而少气者
|
384 |
+
三、栀子生姜豉汤
|
385 |
+
【辨证要点】栀子豉汤证而呕者
|
386 |
+
四、枳实栀子豉汤
|
387 |
+
【辨证要点】栀子豉汤证而心下涨满者
|
388 |
+
五、栀子厚朴汤
|
389 |
+
【辨证要点】胸烦热和腹涨满者
|
390 |
+
六、栀子柏皮汤
|
391 |
+
【辨证要点】黄疸病发热心烦者
|
392 |
+
七、栀子干姜汤
|
393 |
+
【辨证要点】身热微烦而呕逆或下利者
|
394 |
+
甘草汤类
|
395 |
+
一、甘草汤
|
396 |
+
【辨证要点】咽喉痛之轻证者
|
397 |
+
二、桔梗汤
|
398 |
+
【辨证要点】咽痛、咳吐浓痰、或胸痛者
|
399 |
+
三、芍药甘草汤
|
400 |
+
【辨证要点】四肢、胃腹等处挛急疼痛者
|
401 |
+
四、芍药甘草附予汤
|
402 |
+
【辨证要点】芍药甘草汤证更见阳虚寒证者
|
403 |
+
五、甘草小麦大枣汤
|
404 |
+
【辨证要点】无故苦笑难以自控而偏虚者
|
405 |
+
六、甘草粉蜜汤
|
406 |
+
【辨证要点】胃脘疼痛急迫而涨满不甚者
|
407 |
+
七、生姜甘草汤
|
408 |
+
【辨证要点】咳吐白痰而呕、胃虚纳差者
|
409 |
+
八、排脓汤
|
410 |
+
【辨证要点】咳唾浊痰、胸痛而病久者
|
411 |
+
枳术汤类
|
412 |
+
一、枳术汤。
|
413 |
+
【辨证要点】心下坚满而边界清楚又见小便不利者
|
414 |
+
二、枳实芍药散
|
415 |
+
【辨证要点】腹满挛痛或有心烦不安者
|
416 |
+
三、排脓散
|
417 |
+
【辨证要点】枳实芍药散证而有痈脓者
|
418 |
+
四、桂枝生姜枳实汤
|
419 |
+
(治疗心包炎)
|
420 |
+
【辨证要点】心下痞塞、胸肋闷痛者
|
421 |
+
瓜蒌薤白汤类
|
422 |
+
一、瓜蒌薤白白酒汤。
|
423 |
+
(心脏结构受损,后背第五椎有压痛点)
|
424 |
+
【辨证要点】胸闷、胸背痛、短气或喘息者
|
425 |
+
二、瓜蒌薤白半夏汤
|
426 |
+
(病更重)
|
427 |
+
【辨证要点】胸闷心痛、咳逆短气甚者
|
428 |
+
三、枳实薤白桂枝汤
|
429 |
+
(胃胀满、肋下痛、胸闷、拒按)
|
430 |
+
【辨证要点】
|
431 |
+
瓜蒌薤白白酒汤证胸腹逆满明显者
|
432 |
+
茯苓杏仁甘草汤(缓痛,心脏有积水、寸脉弦可以确定水包围在心包、不渴)
|
433 |
+
四、瓜蒌瞿麦丸
|
434 |
+
【辨证要点】小便不利、口渴,尿粘稠(淋病)与五苓散区别
|
435 |
+
芎归胶艾汤类
|
436 |
+
一、芎归胶艾汤
|
437 |
+
【辨证要点】诸失血证属虚证而见腹中痛者
|
438 |
+
二、当归芍药散
|
439 |
+
【辨证要���】腹痛拘急、头晕心悸、小便不利者
|
440 |
+
三、温经汤
|
441 |
+
【辨证要点】芎归胶艾汤、当归芍药散、吴茱萸汤、麦门冬汤诸方证合并证者
|
442 |
+
四、当归散
|
443 |
+
【辨证要点】当归芍药散证腹痛较轻、或妊娠血虚有热者
|
444 |
+
五、当归四逆汤
|
445 |
+
【辨证要点】手足凉表虚而里寒不甚者
|
446 |
+
六、当归四逆加吴茱萸生姜汤
|
447 |
+
【辨证要点】当归四逆汤证更见心腹痛、呕逆或头痛者
|
448 |
+
七、当归生姜羊肉汤
|
449 |
+
【辨证要点】血虚腹痛里急者
|
450 |
+
八、赤小豆当归散
|
451 |
+
【辨证要点】诸疮有痈脓者恶血者
|
452 |
+
九、黄土汤
|
453 |
+
【辨证要点】大便溏而下血黑紫、兼见四肢冷痹反心烦热者
|
454 |
+
十、炙甘草汤
|
455 |
+
【辨证要点】心动悸、脉结代气阴两虚者
|
456 |
+
十一、酸枣仁汤
|
457 |
+
【辨证要点】因血虚见心悸虚烦不得眠者
|
458 |
+
麦冬汤类
|
459 |
+
一、麦冬汤
|
460 |
+
【辨证要点】咳逆上气、咽干口燥者
|
461 |
+
二、竹叶石膏汤
|
462 |
+
【辨证要点】虚热上炎、气逆欲吐、烦渴者
|
463 |
+
木防己汤类
|
464 |
+
一、木防己汤
|
465 |
+
【辨证要点】喘满心下痞坚烦渴者
|
466 |
+
二、木防己去石膏加茯苓芒硝汤
|
467 |
+
【辨证要点】木防己汤证心下痞坚甚、二便不利者
|
468 |
+
薏苡附子散类
|
469 |
+
一、薏苡附子散
|
470 |
+
【辨证要点】寒湿痹痛、胸痹疼痛、时缓时急者
|
471 |
+
二、薏苡附子败酱散
|
472 |
+
【辨证要点】肠痈腹痛、皮肤甲错、或肿痒流黄水者
|
473 |
+
三、苇茎汤
|
474 |
+
【辨证要点】咳吐黄脓痰、微热烦满者
|
475 |
+
猪苓汤类
|
476 |
+
一、猪苓汤
|
477 |
+
【辨证要点】小便不利、或淋痛尿血而渴欲饮水者
|
478 |
+
二、猪苓散
|
479 |
+
【辨证要点】呕咳而小便不利者
|
480 |
+
三、泽泻汤
|
481 |
+
【辨证要点】心下停饮见眩晕、小便不利者
|
482 |
+
四、茯苓杏仁甘草汤
|
483 |
+
【辨证要点】(缓痛,心脏有积水、寸脉弦可以确定水包围在心包、不渴)
|
484 |
+
五、茯苓泽泻汤
|
485 |
+
【辨证要点】呕吐、小便不利、渴欲饮水者
|
486 |
+
六、甘姜苓术汤
|
487 |
+
【辨证要点】腰冷重小便自利者
|
488 |
+
七、茯苓杏仁甘草汤
|
489 |
+
【辨证要点】咳喘胸闷、小便不利者
|
490 |
+
八、葵子茯苓散
|
491 |
+
【辨证要点】妊娠浮肿者
|
492 |
+
其他
|
493 |
+
一、乌梅丸
|
494 |
+
【辨证要点】厥逆烦躁、或腹痛呕吐时缓时作、或虚寒久利者
|
495 |
+
二、柏叶汤
|
496 |
+
【辨证要点】吐血下血、烦热腹痛而脉无力者
|
497 |
+
三、蜀漆散
|
498 |
+
【辨证要点】疟寒多热少者
|
499 |
+
四、百合地黄汤
|
500 |
+
【辨证要点】百合病口苦、小便赤、脉微数者
|
501 |
+
五、瓜蒌牡蛎散
|
502 |
+
【辨证要点】虚热而渴、或胸腹动悸者
|
503 |
+
六、猪膏发煎
|
504 |
+
【辨证要点】少腹满、大便干结、小便不利者
|
505 |
+
七、猪肤汤
|
506 |
+
【辨证要点】口干咽痛心烦、舌红少津、脉细数
|
pretrain/train/books/textbook/方剂学.txt
ADDED
The diff for this file is too large to render.
See raw diff
|
|
pretrain/train/books/textbook/药理学.txt
ADDED
The diff for this file is too large to render.
See raw diff
|
|
pretrain/train/opendata/ChatMed_TCM-v0.2_.txt
ADDED
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
1 |
+
version https://git-lfs.github.com/spec/v1
|
2 |
+
oid sha256:8309422485e36fe42fbded830c9b9f35ef17034011c31d3abeddbc9a1f9f9568
|
3 |
+
size 93231070
|
pretrain/train/papers/fix_abstract_segmentation.txt
ADDED
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
1 |
+
version https://git-lfs.github.com/spec/v1
|
2 |
+
oid sha256:386c6588d6765c9df1ab0fd4d156d1af1463bb1b3677f4af2da4f1445a9ba8f9
|
3 |
+
size 749580347
|
pretrain/train/web/2019_baidubaike.txt
ADDED
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
1 |
+
version https://git-lfs.github.com/spec/v1
|
2 |
+
oid sha256:71686a52e5fe2829f5e4162195b4c258cc4ae52611c1980eb9ed789ba19ef636
|
3 |
+
size 285071862
|
pretrain/train/web/daiy_data.txt
ADDED
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
1 |
+
version https://git-lfs.github.com/spec/v1
|
2 |
+
oid sha256:09be7366ef97e2ff775d7528d48fbec49c40dfa8b906bec7ea2962dcfc48f9b8
|
3 |
+
size 30542939
|
sft/final_train_data_for_baichuan_format/train_baichuan.json
ADDED
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
1 |
+
version https://git-lfs.github.com/spec/v1
|
2 |
+
oid sha256:5a2a8eb7aba82ae6c0ed76b6b818ff27aaf9152e5138885cfbd7349b36831e90
|
3 |
+
size 497229564
|
sft/test/admet_cls.csv
ADDED
@@ -0,0 +1,501 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
1 |
+
smiles,y
|
2 |
+
c1ccc2c(c1)CCNC2,1
|
3 |
+
c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1,0
|
4 |
+
Oc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)NCC[C@@]341,1
|
5 |
+
Oc1ccc2[nH]cc(CCCCN3CC=C(c4ccccc4)CC3)c2c1,1
|
6 |
+
O[C@H](OCC(CO[C@@H](O)C(Cl)(Cl)Cl)(CO[C@H](O)C(Cl)(Cl)Cl)CO[C@H](O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl,1
|
7 |
+
OCc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,1
|
8 |
+
OCc1ccccc1OC1OC(CO)C(O)C(O)C1O,1
|
9 |
+
OCCN1CCN(CC/C=C2/c3ccccc3COc3ccc(Cl)cc32)CC1,1
|
10 |
+
OC(c1ccccc1)(c1ccccc1)C1CCCCN1,1
|
11 |
+
O=P(O)(O)C(O)(Cn1ccnc1)P(=O)(O)O,0
|
12 |
+
O=P(O)(O)C(Cc1ccc(Cl)cc1)P(=O)(O)O,0
|
13 |
+
O=NN(CCCl)C(=O)NC1CCCCC1,1
|
14 |
+
O=C1c2c(O)cc(O)cc2CC(c2ccc(O)c(O)c2)C1O,0
|
15 |
+
O=C1NC(CCCl)Oc2ccccc21,1
|
16 |
+
O=C1C[C@@H](c2cccnc2)c2c(ccc3c2OC2(CCCCC2)CC3=O)O1,0
|
17 |
+
O=C1CNC(c2ccccc2)=c2c3c(sc2=N1)CCCC3,1
|
18 |
+
O=C1CN2CCOC2(c2ccccc2F)c2cc(Cl)ccc2N1CCO,1
|
19 |
+
O=C1CN2CCOC2(c2ccccc2F)c2cc(Br)ccc2N1,1
|
20 |
+
O=C1CN(/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1,1
|
21 |
+
O=C1CCC(c2ccccc2)(C2CCN(CC=Cc3ccccc3)CC2)C(=O)N1,1
|
22 |
+
O=C1C(Cc2ccccc2)N(S(=O)(=O)c2cccc(O)c2)C(=O)C(Cc2ccccc2)N1S(=O)(=O)c1cccc(O)c1,1
|
23 |
+
O=C1C(CC[S+]([O-])c2ccccc2)C(=O)N(c2ccccc2)N1c1ccccc1,0
|
24 |
+
O=C(OC1CC2CCC(C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1,1
|
25 |
+
O=C(O)c1ccccc1C(=O)OC1CCc2ccccc2C1,1
|
26 |
+
O=C(O)c1cc[nH]c1NCCSCc1ncccc1Br,1
|
27 |
+
O=C(O)c1cc(=O)c2ccccc2o1,1
|
28 |
+
O=C(O)C1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O,1
|
29 |
+
O=C(O)C1=C(CSc2nnnn2CS(=O)(=O)O)CS[C@H]2[C@@H](NC(=O)[C@H](O)c3ccccc3)C(=O)N12,0
|
30 |
+
O=C(Nc1nc2ccccc2s1)c1ccc(N2CCOCC2)cc1,1
|
31 |
+
O=C(N[C@H]1CC[C@H](O)CC1)C1CC(CCc2ccccc2)C1,1
|
32 |
+
O=C(N[C@@H](Cc1ccccn1)C1CC(O)C1)c1n[nH]c2ccccc12,1
|
33 |
+
O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(=O)c2cc(O)ccc2o1,1
|
34 |
+
O=C(Cc1ccc(Cl)c(Cl)c1)N1CCn2ccnc2C1CN1CCCC1,1
|
35 |
+
O=C(C[S+]([O-])Cc1ccco1)NC/C=C/COc1cc(CN2CCCCC2)ccn1,0
|
36 |
+
O=C(CCCCCNc1c2c(nc3ccccc13)CCCC2)NCCc1c[nH]c2ccc(O)cc12,1
|
37 |
+
Nc1nc2c(c(=O)[nH]1)N(C=O)[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)CN2,1
|
38 |
+
Nc1nc(OC(C(F)(F)F)C(F)(F)F)ccc1[N+](=O)[O-],0
|
39 |
+
Nc1nc(/C(=C\CC(=O)O)C(=O)NC2C(=O)N3C(C(=O)O)=CCS[C@@H]23)cs1,0
|
40 |
+
NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](N)[C@@H](O)[C@@H]1O,0
|
41 |
+
NC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](N)C[C@@H](N)[C@@H]3O[C@@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)O[C@@H]2CO)[C@@H](N)[C@H](O)[C@H]1O,0
|
42 |
+
NC[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](N)C[C@@H]2N)[C@@H](N)[C@H](O)[C@@H]1O,0
|
43 |
+
NCC[C@H](O)C(=O)N[C@H]1C[C@H](N)[C@@H](O[C@H]2O[C@@H](CN)CC[C@@H]2N)[C@H](O)[C@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@H](N)[C@@H]1O,0
|
44 |
+
NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](OC2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OC1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O,0
|
45 |
+
NCC[C@@H](O)C(=O)N[C@@H]1C[C@H](N)[C@H](O[C@@H]2O[C@@H](CN)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](N)[C@@H]1O,0
|
46 |
+
NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1O,0
|
47 |
+
NC(=O)c1ccc(F)c2c1C[C@@H](N(C1CCC1)C1CCC1)CO2,1
|
48 |
+
N#Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1,1
|
49 |
+
N#CCN[C@@H]1CCc2ccccc21,1
|
50 |
+
Fc1ccccc1C1=NCCN(CC(F)(F)F)c2ccc(Cl)cc21,1
|
51 |
+
Fc1cc2[nH]c(-c3cccc(N4CCc5ccccc5C4)c3)nc2cc1Cl,1
|
52 |
+
Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](OC=O)c3ccccc3)[C@H]2SC1,0
|
53 |
+
Cn1c(=O)c2c(ncn2CCNC[C@H](O)c2ccc(O)c(O)c2)n(C)c1=O,0
|
54 |
+
Cc1nnc(SCC2=C(C(=O)OCc3oc(=O)oc3C)N3C(=O)[C@H](NC(=O)[C@H](OC(=O)[C@H](C)N)c4ccccc4)[C@@H]3SC2)s1,0
|
55 |
+
Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1,0
|
56 |
+
Cc1ccc2nc(NC(=O)c3ccc(N4CCOCC4)cc3)sc2c1,1
|
57 |
+
Cc1ccc2[nH]c(CCC(=O)N[C@H](C)Cc3cnccn3)nc2c1C,0
|
58 |
+
Cc1ccc([C@H](C)NC(=O)CCSc2ccccc2)cc1C,1
|
59 |
+
Cc1ccc(S(=O)(=O)NC(=O)NN2C[C@H]3CCC[C@H]3C2)cc1,1
|
60 |
+
Cc1ccc(S(=O)(=O)CCN2C(=O)CN=C(c3ccccc3Cl)c3cc(Cl)ccc32)cc1,1
|
61 |
+
Cc1cc(C2CCCCC2)n(O)c(=O)c1,0
|
62 |
+
Cc1cc(C)c(=O)[nH]n1,1
|
63 |
+
Cc1cc(C(=O)N(C)[C@@H](C)c2ccncn2)ccc1Cl,0
|
64 |
+
Cc1[nH]ccc2c1[nH]c1cc(=O)ccc12,1
|
65 |
+
C[S+](CC[C@H](N)C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,1
|
66 |
+
C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@@H](O)[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,1
|
67 |
+
C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O,1
|
68 |
+
C[C@H]1c2cccc(O)c2C(O)=C2C(=O)[C@]3(O)C(=O)/C(=C(/N)O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21,1
|
69 |
+
C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5C[C@@H](O)[C@]5(C)C(C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O,0
|
70 |
+
C[C@H]1C[C@H]2[C@H]3C[C@H](F)C4=CC(=O)C=C[C@@]4(C)[C@@]3(Cl)[C@H](O)C[C@@]2(C)[C@H]1C(=O)CO,1
|
71 |
+
C[C@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@]2(C)[C@H]1C(=O)COC(=O)C(C)(C)C,1
|
72 |
+
C[C@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=CC4(C)[C@H]3[C@@H](O)CC2(C)C1C(=O)CO,1
|
73 |
+
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=CC4(C)C3(F)C(=O)CC2(C)C1(O)C(=O)CCl,1
|
74 |
+
C[C@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@H](C)N1,1
|
75 |
+
C[C@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(F)S[C@@H]12,0
|
76 |
+
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@]2(C)[C@H]1C(=O)CO,1
|
77 |
+
CS(=O)(=O)c1ccc([C@H](O)[C@@H](CO)NC(=O)C(Cl)Cl)cc1,1
|
78 |
+
CS(=O)(=O)c1ccc([C@@H](O)[C@H](CF)NC(=O)C(Cl)Cl)cc1,1
|
79 |
+
COc1ccccc1CNC1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1,1
|
80 |
+
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO)C[C@H]3O[C@H]1C[C@@H](NC(=O)[C@H](N)CC(C)C)[C@H](O)[C@H](C)O1,0
|
81 |
+
COc1ccc2c3c1OC1C(O)CCC4C(C2)N(C)CCC341,1
|
82 |
+
COc1ccc2c(c1OC)C(=O)O[C@H]2[C@@H]1c2c(cc3c(c2OC)OCO3)CCN1C,1
|
83 |
+
COc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(C#N)C=O)cc1,1
|
84 |
+
COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@@H]1CCCN1C,1
|
85 |
+
COc1ccc(OC[C@H]2CN(C)CC[C@@H]2c2ccccc2)cc1,1
|
86 |
+
COc1ccc(OC(F)(F)F)cc1CNC1CCCNC1c1ccccc1,1
|
87 |
+
COc1ccc(CN(CCN(C)C)c2ccccn2)cc1,1
|
88 |
+
COc1cc2c(cc1OC)C(c1cccc(Cl)c1)=NN=C(C)C2,1
|
89 |
+
COc1cc2c(cc1OC)C(=O)[C@@H](CC1CCN(Cc3ccccc3)CC1)C2,1
|
90 |
+
COc1cc2c(cc1O)CCC(C)(CC(=O)NCCc1ccc(O)c(O)c1)O2,0
|
91 |
+
COc1cc(O)c2c(c1)O/C(=C\c1ccc(N3CCCCC3)cc1)C2=O,1
|
92 |
+
COc1cc(C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc(OC)c1OC,1
|
93 |
+
COc1cc(Br)c2oc(C3CCNCC3)cc2c1,1
|
94 |
+
CO[C@]1(NC(=O)C2SC(=C(C#N)C(=O)O)S2)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21,0
|
95 |
+
CO[C@@H]1[C@@H](O)[C@H](N)[C@H](O[C@@H]2O[C@H]([C@H](C)N)CC[C@@H]2N)[C@@H](O)[C@@H]1N(C)C(=O)CN,0
|
96 |
+
CON=CC1=CCCN(C)C1,1
|
97 |
+
COCc1c(C(C)C)nc(C(C)C)c(C=CC(O)CC(O)CC(=O)O)c1-c1ccc(F)cc1,1
|
98 |
+
COC[C@]1(C(N)=S)[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(C)(=O)=O,1
|
99 |
+
COCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)/C(=N\OC)c3csc(N)n3)[C@H]2SC1,1
|
100 |
+
COC12CC[C@@]3(C[C@@H]1C(C)(O)C(C)(C)C)[C@@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,1
|
101 |
+
COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1,0
|
102 |
+
COC(=O)C[C@@H](c1cc(OC)c2c(c1)OCCO2)c1c(O)c(C(=O)OC)c[nH]c1=O,1
|
103 |
+
CO/N=C(\C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c(=O)[nH]n3C)CS[C@H]12)c1csc(N)n1,0
|
104 |
+
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@H]12)c1csc(N)n1,1
|
105 |
+
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@@H]12)c1csc(N)n1,0
|
106 |
+
CO/N=C(\C(=O)NC1C(=O)N2C(C(=O)O)=C(/C=C\c3scnc3C)CS[C@H]12)c1csc(N)n1,1
|
107 |
+
CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(C[n+]3ccn4ncccc43)CS[C@H]12)c1nsc(N)n1,0
|
108 |
+
CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(/C=C/Sc3n[nH]c(=O)c(=O)n3CC=O)CS[C@@H]12)c1csc(N)n1,0
|
109 |
+
CO/N=C(/C(=O)NC1C(=O)N(OCC(=O)O)C1C)c1csc(N)n1,0
|
110 |
+
CNCC[C@H](O)[C@H]1C[C@H](SC2=C(C(=O)O)N3C(=O)[C@H]([C@@H](C)O)[C@H]3[C@@H]2C)CN1,0
|
111 |
+
CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1,1
|
112 |
+
CNC(C[N+](=O)[O-])=NCCSc1ccc(CN(C)C)o1,0
|
113 |
+
CNC(=O)CCN1CCN(CCC=C2c3ccccc3Sc3ccc(Cl)cc32)CC1,1
|
114 |
+
CN1CCc2cc(Cl)c(O)cc2C(c2ccccc2)C1,1
|
115 |
+
CN1CCN(CCC(=O)N2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,1
|
116 |
+
CN1CCN(C2=Nc3cscc3C(=CC#N)c3cscc32)CC1,1
|
117 |
+
CN1CC(O)c2cc(N=NC(N)=O)c(O)cc21,0
|
118 |
+
CN1C2CCCC1CC(NC(=O)c1nn(C)c3ccccc13)C2,1
|
119 |
+
CN1C(=O)CCC1c1cccnc1,1
|
120 |
+
CN(C)c1cc(NC(=O)CNC(C)(C)C)c(O)c2c1CC1CC3C(N(C)C)C(=O)C(C(N)=O)=C(O)C3(O)C(=O)C1=C2O,0
|
121 |
+
CN(C)[C@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(ccc(N)c4O)C[C@H]3C[C@@H]12,0
|
122 |
+
CN(C)[C@H]1C(=O)C(C(N)=O)=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)cccc4[C@@](C)(O)[C@@H]3[C@H](O)[C@@H]12,1
|
123 |
+
CN(C)Cc1ccc(SCCNc2[nH]ccc2[N+](=O)[O-])o1,0
|
124 |
+
CN(C)C[C@@H](CN1c2ccccc2Sc2ccccc21)N(C)C,1
|
125 |
+
CN(C)CCOC(c1ccccc1)c1ccccc1,1
|
126 |
+
CN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1,0
|
127 |
+
CN(C)CCN(c1ccc(Cl)cc1)c1ccccn1,1
|
128 |
+
CN(C)CCN(Cc1cccs1)c1ccccn1,1
|
129 |
+
CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21,1
|
130 |
+
CN(C)CCCN1c2ccccc2CC(=O)c2ccccc21,1
|
131 |
+
CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)c4c(ccc(N)c4O)CC3CC12,0
|
132 |
+
CN(C)C(=O)OC1N=C(c2ccccc2)c2cc(Cl)ccc2N(C)C1=O,1
|
133 |
+
CN(C(=O)Cc1cccc2sccc12)[C@@H]1CCCC[C@H]1N1CCCC1,1
|
134 |
+
CCc1c(C)nn(CC(=O)NC[C@H]2CCCN(c3ccccn3)C2)c1C,1
|
135 |
+
CC[C@](C)(O)[C@@H]1[C@H]2[C@@H]3C[C@@]34[C@@H]3Cc5ccc(OC)c6c5[C@@]4(CCN3CC3CC3)[C@@H](O6)[C@]21OC,1
|
136 |
+
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@@H](N(C)C)[C@@H]2O)[C@](C)(OC)C[C@H](C)C(=O)[C@H](C)[C@H](O)[C@@]1(C)O,0
|
137 |
+
CC[C@H](C)Nc1ccc(I)c(N[C@@H](C)CC)c1,1
|
138 |
+
CC[C@@]1(c2ccccc2)C(=O)NC(=O)N(C(=O)c2ccccc2)C1=O,1
|
139 |
+
CCOC1CCN(C(=O)c2cc(-c3ccccc3)c(=O)n3c2-c2cc(Cl)ccc2CC3)C1,1
|
140 |
+
CCOC(=O)c1cncn1C(C)c1ccccc1,1
|
141 |
+
CCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3c(c2c1)N(Cc1ccccc1)CCC3,1
|
142 |
+
CCOC(=O)Cc1cc2c(c(N)n1)N=C(c1ccccc1)C(C)N2,1
|
143 |
+
CCOC(=O)C[C@H](O)C[C@H](O)/C=C/C1=C(c2ccc(F)cc2)c2ccccc2OC12CCCC2,1
|
144 |
+
CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1Cc2cc(OC)c(OC)cc2CC1C(=O)O,0
|
145 |
+
CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1CC2(CC1C(=O)O)SCCS2,0
|
146 |
+
CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1C(C(=O)O)CC2CCCC21,0
|
147 |
+
CCNC1CC(C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,0
|
148 |
+
CCNC1(c2ccccc2)CCCCC1,1
|
149 |
+
CCN=C1Nc2ccc(Cl)cc2[C@@H](c2ccccc2)S1,1
|
150 |
+
CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)[C@@H](C)Cc1ccc(OC)cc1,1
|
151 |
+
CCN(CC)CCn1cnc2c1c(=O)n(C)c(=O)n2C,1
|
152 |
+
CCN(CC)CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)C=C[C@]4(C)C3[C@@H](O)C[C@@]21C,1
|
153 |
+
CCN(CC)C(=O)N[C@H]1CC2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,1
|
154 |
+
CCN(CC)/C(C)=N/N=C/c1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(O/C=C/[C@H](OC)[C@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O4,0
|
155 |
+
CCC[C@@](C)(O)[C@H]1CC23C=CC1(OC)[C@H]1Oc4c(OC(C)=O)ccc5c4C12CCN(C)C3C5,1
|
156 |
+
CCC[C@@H]1O[C@@H]2C[C@@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,1
|
157 |
+
CCC[C@@H]1C[C@H](C(=O)N[C@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](C)Cl)N(C)C1,1
|
158 |
+
CCC[C@@H]1C[C@@H](C(=O)N[C@@H]([C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)[C@H](C)Cl)N(C)C1,0
|
159 |
+
CCCNC(=O)c1ccc2c(c1)N(CCN1CCCC1)c1ccccc1S2,1
|
160 |
+
CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,1
|
161 |
+
CCCN(CCC)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12,1
|
162 |
+
CCCCn1c(=O)c2c(ncn2CC(C)=O)n(CCCC)c1=O,1
|
163 |
+
CCCCN1C2CC[C@@H]1C[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,1
|
164 |
+
CCCC(NC(C)C(=O)N1C(C(=O)O)CC2CCCCC21)C(=O)OCC,0
|
165 |
+
CCCC(C)(O)C1CC23C=CC1(OC)[C@H]1Oc4c(OC(C)=O)ccc5c4C12CCN(C)C3C5,1
|
166 |
+
CCCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2C3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,1
|
167 |
+
CCCC(=O)O[C@@]1(C(C)=O)CCC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@@H]3[C@@H](O)C[C@]21C,1
|
168 |
+
CCCC(=O)OC1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CCC4(C)[C@H]3[C@@H](O)CC21C,1
|
169 |
+
CCCC(=O)OC1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4(C)[C@H]3[C@@H](O)CC21C,1
|
170 |
+
CCCC(=O)N(C)Cc1c(-c2ccc(Cl)cc2)nc2ccccn12,1
|
171 |
+
CCC1OC(=O)CC(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(CC=O)CC(C)C(=O)C=CC2(C)OC2C1C,0
|
172 |
+
CCC1C(=O)NC(=O)C1(C)c1ccccc1,1
|
173 |
+
CCC1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@@H]3C(O)(C(=O)OC)[C@@H](OC(C)=O)C5(CC)C=CCN6CCC43[C@H]65)C2)C1,0
|
174 |
+
CCC(O)(CC(N)=O)c1ccccc1,1
|
175 |
+
CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O,1
|
176 |
+
CCC(C)(C)OC,1
|
177 |
+
CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@@H](C)[C@H](CC[C@@H]3C[C@H](O)CC(=O)O3)[C@H]21,1
|
178 |
+
CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,1
|
179 |
+
CCC(=O)OCC(=O)C1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=CC4(C)C3(F)[C@@H](O)CC21C,1
|
180 |
+
CCC(=O)OC1C(OC2C(C)C(OC3CC(C)(OC)C(O)C(C)O3)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC2(C)O)OC(C)CC1N(C)C,0
|
181 |
+
CCC(=O)OC1(C(=O)SC)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,1
|
182 |
+
CC=C(CC)C(=O)NC(N)=O,1
|
183 |
+
CC1NC(=O)C2(CCCC2)NC1=O,1
|
184 |
+
CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(C)C(=O)CO,1
|
185 |
+
CC1=CC[C@@H]2C3Cc4ccc(O)c5c4C2(CN3C)[C@H]1O5,1
|
186 |
+
CC1=CC2Cc3nc4cc(Cl)ccc4c(NCCCCCCCNc4c5c(nc6ccccc46)CCCC5)c3C(C1)C2,1
|
187 |
+
CC12C=CC(=O)C=C1[C@@H](Cl)C[C@@H]1[C@@H]2C(=O)CC2(C)[C@H]1CCC2(O)C(=O)CO,1
|
188 |
+
CC1(c2ccccc2)CC(=O)N(CN2CCOCC2)C1=O,1
|
189 |
+
CC1(C)S[C@H]2[C@@H](N3C(=O)[C@H](c4ccccc4)NC3(C)C)C(=O)N2[C@H]1C(=O)O,0
|
190 |
+
CC1(C)S[C@H]2C(NC(=O)C34C[C@@H]5C[C@H](CC(N)(C5)C3)C4)C(=O)N2[C@H]1C(=O)O,0
|
191 |
+
CC1(C)S[C@H]2C(N3C(=O)[C@H](c4ccc(O)cc4)NC3(C)C)C(=O)N2[C@H]1C(=O)O,0
|
192 |
+
CC1(C)S[C@@H]2[C@H](N3C(=O)[C@@H](c4ccc(O)cc4)NC3(C)C)C(=O)N2[C@H]1C(=O)O,0
|
193 |
+
CC1(C)S[C@@H]2[C@@H](NC(=O)[C@H](C(=O)O)c3ccsc3)C(=O)N2[C@@H]1C(=O)O,0
|
194 |
+
CC1(C)SC2C(NC(=O)C(Oc3ccccc3)c3ccccc3)C(=O)C2C1C(=O)O,0
|
195 |
+
CC1(C)O[C@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(C(=O)COC(=O)C2CC2)O1,1
|
196 |
+
CC1(C)O[C@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(C(=O)CO)O1,1
|
197 |
+
CC1(C)O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)C=CC5(C)[C@@]4(Cl)C(Cl)CC3(C)[C@]2(C(=O)CO)O1,1
|
198 |
+
CC1(C)OC2COC3(COS(N)(=O)=O)OC(C)(C)OC3C2O1,1
|
199 |
+
CC(O)Cn1cnc2c1c(=O)n(C)c(=O)n2C,1
|
200 |
+
CC(NN)c1ccccc1,1
|
201 |
+
CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1C=CC(O)CC(O)CC(=O)O,0
|
202 |
+
CC(C)[N+](C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C,0
|
203 |
+
CC(C)Oc1cccc(CC(=O)N2CCC[C@](CC[N+]34CCC(c5ccccc5)(CC3)CC4)(c3ccc(Cl)c(Cl)c3)C2)c1,1
|
204 |
+
CC(C)N1CCOC(c2cccc(C(F)(F)F)c2)C1,1
|
205 |
+
CC(C)COC[C@@H](CN(Cc1ccccc1)c1ccccc1)N1CCCC1,0
|
206 |
+
CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O)c1ccccc1,0
|
207 |
+
CC(C)(C)OC(=O)CCCc1ccc(N(CCCl)CCCl)cc1,1
|
208 |
+
CC(C)(C)O,1
|
209 |
+
CC(C)(C)NC[C@H](O)c1ccc(O)c(NC(N)=O)c1,0
|
210 |
+
CC(C)(C)NCC(O)c1cc(Br)no1,0
|
211 |
+
CC(C)(C)NC(=O)[C@H]1C[C@H]2CCCC[C@H]2CN1C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1,0
|
212 |
+
CC(=O)c1ccc2c(c1)Sc1ccccc1N2CCCN1CCN(CCO)CC1,1
|
213 |
+
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@@]21C,1
|
214 |
+
CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1,0
|
215 |
+
CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H](N3CC[N+](C)(C)CC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CC[N+](C)(C)CC1,0
|
216 |
+
CC(=O)O[C@@H]1C[C@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@]12CO2,1
|
217 |
+
CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,1
|
218 |
+
CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)(C)OC(C)=O)[C@@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1,1
|
219 |
+
CC(=O)OCC/C(SC(C)=O)=C(\C)N(C=O)Cc1cnc(C)nc1N,1
|
220 |
+
CC(=O)OCC(=O)[C@]1(OC(=O)C(C)C)[C@H](C)C[C@H]2[C@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@@]3(F)[C@H](O)C[C@]21C,1
|
221 |
+
CC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,1
|
222 |
+
CC(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC(Br)C2(Br)C1,1
|
223 |
+
CC(=O)OC1CC2(C)[C@H](C[C@H](O)[C@H]3C4(C)CC[C@H](O)[C@@H](C)[C@@H]4CCC32C)/C1=C(\CCC=C(C)C)C(=O)O,0
|
224 |
+
CC(=O)N1CCN(c2ccc(OCC3CO[C@@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,1
|
225 |
+
CC(=O)N1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)[C@@H](CN2CC[C@H](O)C2)C1,0
|
226 |
+
CC(=O)CC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@]3(Cl)[C@@H](Cl)C[C@@]21C,1
|
227 |
+
CC(=O)C1(N)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](O)[C@@H](O)CO2)C1)C(=O)c1ccccc1C3=O,0
|
228 |
+
CC(=C1CCOC(=O)S1)N(C=O)Cc1cnc(C)nc1N,1
|
229 |
+
C=C[C@@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12,1
|
230 |
+
C=CC[C@@]1([C@@H](C)CCC)C(=C)NC(O)=NC1=O,1
|
231 |
+
C=CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(=NOCC(=O)O)c3csc(N)n3)C2SC1,0
|
232 |
+
C=C1C[C@H]2[C@@H]3CCC4=CC(=O)C=CC4(C)C3(F)[C@@H](O)CC2(C)C1(O)C(=O)CO,1
|
233 |
+
C=C1C(=O)OC2C1CCC1(C)OC13CC=C(C)C23,0
|
234 |
+
C/C(=C\C(N)C(=O)O)CP(=O)(O)O,1
|
235 |
+
C,1
|
236 |
+
Brc1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)o2)cc1,1
|
237 |
+
c1ccc(C2NC2c2ccccc2)cc1,1
|
238 |
+
c1ccc(-c2ccccn2)nc1,1
|
239 |
+
c1ccc(-c2ccccc2OCC2CO2)cc1,1
|
240 |
+
c1cc[n+]2c(c1)-c1cccc[n+]1CC2,0
|
241 |
+
[O-][n+]1cccc2ccccc21,0
|
242 |
+
[O-][Cl+]O,1
|
243 |
+
[O-][Cl+3]([O-])([O-])[O-],0
|
244 |
+
[N-]=[N+]=NCc1ccccc1,1
|
245 |
+
[N-]=[N+]=NCC1OC(O)C(O)C(O)C1O,1
|
246 |
+
Oc1cnnc(O)n1,1
|
247 |
+
Oc1cccc(Cl)c1,0
|
248 |
+
Oc1ccc2ncccc2c1,0
|
249 |
+
Oc1ccc2[nH]ccc2c1,0
|
250 |
+
Oc1cc(O)ncn1,0
|
251 |
+
Oc1cc(O)c2cc(O)c(-c3cc(O)c(O)c(O)c3)[o+]c2c1,0
|
252 |
+
Oc1cc(Cl)c(Cl)c(Cl)c1,0
|
253 |
+
Oc1c(Cl)cccc1Cl,0
|
254 |
+
ONc1ccccc1,1
|
255 |
+
OCCOCCO,0
|
256 |
+
OCC1CCC(n2cnc3c(O)ncnc32)O1,1
|
257 |
+
OC1c2ccccc2-c2cc3ccccc3c(Cl)c2C1O,0
|
258 |
+
OC1c2ccc3c(c2C2OC2C1O)-c1cccc2cccc-3c12,1
|
259 |
+
OC1C=Cc2cccnc2C1O,0
|
260 |
+
OC1C=Cc2c(ccc3cc4c(cc23)C(O)C(O)c2ccccc2-4)C1O,0
|
261 |
+
O=c1ccc2c([C@@H](O)CNCCc3ccc(CCN4CCC(Cn5cnc([C@](O)(c6ccccc6)C6CCCCC6)n5)CC4)cc3)ccc(O)c2[nH]1,0
|
262 |
+
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,1
|
263 |
+
O=c1[nH]c2ccc(F)cc2c(=O)n1-c1ccc(Cl)cc1Cl,0
|
264 |
+
O=[NH+][O-],1
|
265 |
+
O=[N+]([O-])c1cccc2c1ccc1ccccc12,1
|
266 |
+
O=[N+]([O-])c1cccc(O)c1[N+](=O)[O-],1
|
267 |
+
O=[N+]([O-])c1ccc2ccc3cccc4cc(O)c1c2c34,1
|
268 |
+
O=[N+]([O-])c1ccc2ccc3c4c(cc5ccc1c2c53)[C@@H](O)[C@H](O)C=C4,1
|
269 |
+
O=[N+]([O-])c1ccc2ccc3c(O)ccc4c5ccccc5c1c2c34,1
|
270 |
+
O=[N+]([O-])c1ccc2c(c1)CCc1cc([N+](=O)[O-])ccc1-2,1
|
271 |
+
O=[N+]([O-])c1ccc2c(Cl)nsc2c1,1
|
272 |
+
O=[N+]([O-])c1ccc([N+](=O)[O-])cc1,1
|
273 |
+
O=[N+]([O-])c1ccc(Nc2ccc(O)cc2)c([N+](=O)[O-])c1,1
|
274 |
+
O=[N+]([O-])c1ccc(NCCO)c(OCCO)c1,1
|
275 |
+
O=[N+]([O-])c1ccc(N=Nc2ccccc2)cc1,1
|
276 |
+
O=[N+]([O-])c1cc2[nH]c3ccc4ccccc4c3c2c2cccc(O)c12,1
|
277 |
+
O=[N+]([O-])c1c(CS(=O)(=O)Cc2ccccc2)nc2c(Br)cc(Br)cn12,1
|
278 |
+
O=[N+]([O-])OC1COC2C(O[N+](=O)[O-])COC12,0
|
279 |
+
O=[N+]([O-])NC1=NCC(O)N1Cc1ccc(Cl)nc1,0
|
280 |
+
O=S(=O)(O)c1c(N=Nc2c(O)ccc3ccccc23)ccc2ccccc12,0
|
281 |
+
O=P(O)(O)CCCl,1
|
282 |
+
O=Nc1ccc(Oc2ccccc2)cc1,1
|
283 |
+
O=NN1CCNCC1,1
|
284 |
+
O=NN1CCCC1c1cccnc1,1
|
285 |
+
O=C1c2ccccc2C(=O)c2c1ccc(OC1OC(COC3OCC(O)C(O)C3O)C(O)C(O)C1O)c2O,0
|
286 |
+
O=C1c2c(ccc3ccccc23)-c2ccc3ccccc3c21,0
|
287 |
+
O=C1OC(=O)c2cc([N+](=O)[O-])ccc21,1
|
288 |
+
O=C1N[C@@H](c2ccc([N+](=O)[O-])s2)Nc2ccccc21,1
|
289 |
+
O=C1CCCO1,0
|
290 |
+
O=C1C=Cc2ccc3c4c(ccc1c24)C=CC3=O,1
|
291 |
+
O=C1C=Cc2ccc3c4c(ccc1c24)C(=O)C=C3,1
|
292 |
+
O=C1C=CC(=O)C(Cl)=C1,0
|
293 |
+
O=C1C=C2C(=CCOC2O)O1,0
|
294 |
+
O=C1C(Cl)=C(Cl)C(=O)c2ccccc21,1
|
295 |
+
O=C(c1ccccc1)C1OC1c1ccc([N+](=O)[O-])cc1,0
|
296 |
+
O=C(O)c1occ(-c2ccccc2)c1-c1ccccc1,0
|
297 |
+
O=C(O)c1c(O)c(C2(c3ccc(Cl)cc3)CC2)nc2c(C(F)(F)F)cccc12,0
|
298 |
+
O=C(O)C[C@H](Cl)C(=O)O,0
|
299 |
+
O=C(O)CCC(=O)N1CCc2cc(-c3noc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)ccc21,0
|
300 |
+
O=C(O)C(Cl)Br,1
|
301 |
+
O=C(O)/C=C/c1c[nH]cn1,0
|
302 |
+
O=C(Nc1ccon1)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1,0
|
303 |
+
O=C(Nc1ccccc1Cl)c1csc([N+](=O)[O-])c1,1
|
304 |
+
O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)Cc3ccccc3)cc2)cc1)[C@@H]1CCCN1C(=O)Cc1ccccc1,0
|
305 |
+
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1,0
|
306 |
+
O=C(Cl)c1ccccc1[N+](=O)[O-],1
|
307 |
+
O=C(CCl)Nc1snc2ccc(Cl)cc12,1
|
308 |
+
O=C(/C=C/c1ccc(O)cc1)c1ccccc1,0
|
309 |
+
Nc1nc[nH]n1,0
|
310 |
+
Nc1nc(-c2ccc(Cl)cc2)c2c(n1)-c1ccccc1C2=O,0
|
311 |
+
Nc1ccn(C2C=C(CO)C(O)C2O)c(=O)n1,0
|
312 |
+
Nc1cccc2cccc(N)c12,1
|
313 |
+
Nc1cccc2[nH]c(=O)ccc12,1
|
314 |
+
Nc1ccc2nc3ccc(N)cc3[s+]c2c1,1
|
315 |
+
Nc1ccc2cc3ccccc3nc2c1,1
|
316 |
+
Nc1ccc([N+](=O)[O-])cc1O,1
|
317 |
+
Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1,1
|
318 |
+
Nc1ccc(O)c(N)c1,1
|
319 |
+
Nc1ccc(N=Nc2ccc(-c3ccc(N=Nc4c(S(=O)(=O)[O-])cc5cc(S(=O)(=O)[O-])c(N=Nc6ccccc6)c(O)c5c4N)cc3)cc2)c(N)c1,1
|
320 |
+
Nc1ccc(-c2ccc(N)cc2[N+](=O)[O-])cc1,1
|
321 |
+
Nc1ccc(-c2ccc(N)c(Cl)c2)cc1Cl,1
|
322 |
+
Nc1cc([N+](=O)[O-])ccc1O,1
|
323 |
+
Nc1c2c(nc3ccccc13)CCCC2,1
|
324 |
+
Nc1c(Oc2ccccc2)cc(O)c2c1C(=O)c1ccccc1C2=O,1
|
325 |
+
NP(=O)(OCCC(=O)O)N(CCCl)CCCl,1
|
326 |
+
NNc1nncc2ncccc12,1
|
327 |
+
NN,1
|
328 |
+
NC1=NS(=O)(=O)N(Cc2ccccc2)c2nc(-c3ccccc3)n(Cc3ccccc3)c21,0
|
329 |
+
NC(CCC(=O)NC(CSN=O)C(=O)NCC(=O)O)C(=O)O,1
|
330 |
+
NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1,0
|
331 |
+
NC(=O)c1cnccn1,0
|
332 |
+
NC(=O)CNC(=O)N(CCCl)N=O,1
|
333 |
+
N=C(N)c1ccccc1,0
|
334 |
+
N/C(=N\OS(=O)(=O)O)c1ccccc1,0
|
335 |
+
N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4c(c3)CCN4C(=O)CCC(=O)O)no2)c1,0
|
336 |
+
N#Cc1cc(Cl)ccc1-c1ccc(N)cc1F,0
|
337 |
+
N#CCBr,0
|
338 |
+
N#C/C(=C\C=C\c1ccccc1)c1ccc(F)cc1,1
|
339 |
+
Cn1cnc(S(=O)(=O)N2C[C@H](Nc3ccc(F)c(OC(F)(F)F)c3)[C@@H](c3ccc(F)cc3)C2)c1,0
|
340 |
+
Cn1c(N=[N+]=[N-])nc2c3ccccc3ccc21,1
|
341 |
+
Clc1ccc([C@H](c2ccccc2Cl)C(Cl)Cl)cc1,0
|
342 |
+
ClCc1cccnc1,1
|
343 |
+
Cc1nnc2sc(C(=O)NC3CN(c4cccc(F)c4F)C3)c(N)c2c1C,0
|
344 |
+
Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1,0
|
345 |
+
Cc1nc(-c2ccc([N+](=O)[O-])o2)cs1,1
|
346 |
+
Cc1n[n+]([O-])c(-c2ccccc2)c(=O)n1N,1
|
347 |
+
Cc1cccc(O)c1N,0
|
348 |
+
Cc1ccc2nsc(NC(=O)CCl)c2c1,1
|
349 |
+
Cc1ccc2ccccc2c1[N+](=O)[O-],1
|
350 |
+
Cc1ccc2cc3ccccc3cc2c1,1
|
351 |
+
Cc1ccc2c(ccc3ccccc32)c1,1
|
352 |
+
Cc1ccc2c(c1)C(=O)c1ccccc1C2=O,0
|
353 |
+
Cc1ccc2c(c1)-c1ccccc1C2C,1
|
354 |
+
Cc1ccc([N+](=O)[O-])cc1,0
|
355 |
+
Cc1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1,1
|
356 |
+
Cc1ccc(O)c(N)c1,1
|
357 |
+
Cc1ccc(NS(=O)(=O)N(C)C)c(O)c1,0
|
358 |
+
Cc1ccc(NCCO)cc1O,0
|
359 |
+
Cc1ccc(N)cc1N,1
|
360 |
+
Cc1ccc(C)c([N+](=O)[O-])c1,1
|
361 |
+
Cc1ccc(-c2nc3n(c2[N+](=O)[O-])CCS3)cc1,1
|
362 |
+
Cc1ccc(-c2cc3nc(NC(C)(C)C)[nH]c(=O)c3s2)cc1,0
|
363 |
+
Cc1cc2c(c3ccc4ccccc4c13)CC(O)C2=O,1
|
364 |
+
Cc1cc(N2C[C@H]3CC[C@@H](C2)[C@@H]3Nc2nc3n(n2)CCCN3c2cc(F)cc(F)c2)ncn1,0
|
365 |
+
Cc1cc(N)cc([N+](=O)[O-])c1N,1
|
366 |
+
Cc1cc(C2(c3cc(C)c(O)cc3C)OS(=O)(=O)c3ccccc32)c(C)cc1O,0
|
367 |
+
Cc1cc(C)c2nsnc2c1N,1
|
368 |
+
Cc1cc(C)c(N)c(C)c1,1
|
369 |
+
Cc1c2ccccc2c(CO)c2ccccc12,1
|
370 |
+
Cc1c2ccccc2c(C)c2ccccc12,1
|
371 |
+
Cc1c2cc(CO)ccc2nc2c1ccc1ccccc12,1
|
372 |
+
Cc1c(NO)cc(NO)cc1[N+](=O)[O-],1
|
373 |
+
Cc1c(N=[N+]([O-])c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc([N+](=O)[O-])cc1[N+](=O)[O-],1
|
374 |
+
Cc1c(C)c2c(N)c3ccccc3nc2c2ccccc12,1
|
375 |
+
C[Si](C)(C)N[Si](C)(C)C,0
|
376 |
+
C[C@]1(c2ccc([N+](=O)[O-])cc2)CO1,1
|
377 |
+
C[C@H](N)CNc1cnc(C(N)=O)c(-c2cnn(C)c2)n1,0
|
378 |
+
C[C@H](C(=O)O)n1nc(Cn2cc3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O,0
|
379 |
+
C[C@@H](Nc1[nH]cnc2nc(-c3ccc(CCl)cc3)cc1-2)c1ccccc1,1
|
380 |
+
CSCCC(NC=O)C(=O)NC(Cc1ccccc1)C(=O)O,0
|
381 |
+
CSCCC(N)C(=O)O,0
|
382 |
+
CS(=O)(=O)c1ccc(O)c(N)c1,0
|
383 |
+
COc1nncc2cnccc12,0
|
384 |
+
COc1cccc2c1cc1c3c(cc4c(c32)OCO4)C(=O)N1,1
|
385 |
+
COc1ccc(OC)c(N=Nc2c(O)ccc3ccccc23)c1,1
|
386 |
+
COc1ccc(C(=O)ON(OCc2ccccc2)C(=O)c2ccccc2)cc1,1
|
387 |
+
COc1cc2c(CCNC(C)=O)c[nH]c2cc1O,0
|
388 |
+
COc1c2ccoc2nc2c(O)c3c(c(CC=C(C)C)c12)OCO3,0
|
389 |
+
COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,1
|
390 |
+
COP(=O)(SC)SC,0
|
391 |
+
COP(=O)(O)O,0
|
392 |
+
COC(=O)C1=C(C)NC(C)=C(C(=O)OCC=Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1,0
|
393 |
+
COC(=O)C(C)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1,0
|
394 |
+
CO/N=C(\C(=O)NC1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CSC12)c1csc(N)n1,0
|
395 |
+
CO/N=C(/C(=O)O)c1ccccc1COc1cc(O)ccc1C,0
|
396 |
+
CNc1ccc2ncc(C)nc2c1C,1
|
397 |
+
CNC(C)Cc1ccccc1,0
|
398 |
+
CNC(=O)c1cc(C(=O)O)cc(C)c1NC(=O)c1cc(Br)nn1-c1ncccc1Cl,0
|
399 |
+
CNC(=O)c1cc(C(=O)N[C@H]2CC[C@H](O)CC2)n([C@@H](C)c2ccccc2)n1,0
|
400 |
+
CN1CCC=C2c3nc(N)sc3CCC21,1
|
401 |
+
CN(CCC#N)c1ccc(N=Nc2ccccc2)cc1,1
|
402 |
+
CN(C)c1ccc(CCO)cc1,1
|
403 |
+
CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2c(O)c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)ccc23)cc1,0
|
404 |
+
CN(C)CCO[C@@](C)(c1ccccc1)c1ccccn1,0
|
405 |
+
CN(C)CCNC(=O)c1cccc2c1Oc1ccccc1O2,1
|
406 |
+
CN(C)CCCNc1c2ccccc2nc2ccccc12,1
|
407 |
+
CN(C)/C(=N/c1ccc2c(c1)C(=O)c1ccc(/N=C(\C3CC3)N(C)C)cc1C2=O)C1CC1,0
|
408 |
+
CCc1cccc2cc([C@H](O)CNC(C)(C)C)oc12,0
|
409 |
+
CCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)O)OCC3,0
|
410 |
+
CCc1cccc(CC)c1N,1
|
411 |
+
CCc1ccc2nc(N3CCC(N[C@@H]4CCCOC4)CC3)c(-c3nc(C)no3)cc2c1,1
|
412 |
+
CCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)O)n2Cc1cc([N+](=O)[O-])ccc1F,0
|
413 |
+
CCc1cc2ccccc2c2ccc3c(c12)C1OC1C(O)C3O,1
|
414 |
+
CC[n+]1c2ccccc2nc2ccccc21,1
|
415 |
+
CC[Si](Cl)(Cl)CC,0
|
416 |
+
CC[C@@H](C)N,0
|
417 |
+
CCS(=O)(=O)c1nc2ccccn2c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1,0
|
418 |
+
CCON(OC(C)=O)C(=O)c1ccccc1,1
|
419 |
+
CCOCCO,0
|
420 |
+
CCOC(C)=O,0
|
421 |
+
CCOC(=O)c1c(C(F)(F)F)[n+]([O-])c2ccc(OC)cc2[n+]1[O-],1
|
422 |
+
CCOC(=O)c1c(C(F)(F)F)[n+]([O-])c2ccc(C)cc2[n+]1[O-],1
|
423 |
+
CCOC(=O)[C@@H]1O[C@]1(C)c1ccccc1,0
|
424 |
+
CCOC(=O)N(CC)N=O,1
|
425 |
+
CCOC(=O)N(C)N=O,1
|
426 |
+
CCOC(=O)COc1cc(-c2nn(C)c(OC(F)F)c2Cl)c(F)cc1Cl,0
|
427 |
+
CCOC(=O)C(Cl)Cc1cc(-n2nc(C)n(C(F)F)c2=O)c(F)cc1Cl,0
|
428 |
+
CCOC(=O)C(=NNc1ccc(-c2ccc(NN=C(C(=O)OCC)C(=O)OCC)c(OC)c2)cc1OC)C(=O)OCC,0
|
429 |
+
CCN=c1cc2oc3cc(NCC)c(C)cc3c(-c3ccccc3C(=O)OCC)c-2cc1C,0
|
430 |
+
CCN(CCO)c1ccc(NCCO)c([N+](=O)[O-])c1,1
|
431 |
+
CCN(CC)CCn1nc2ccc(CO)c3c2c1Sc1cc(Cl)ccc1-3,1
|
432 |
+
CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12,1
|
433 |
+
CCCn1cc2c3c(cccc31)C1C=C(C)CN(C)C1C2,1
|
434 |
+
CCCOS(C)(=O)=O,1
|
435 |
+
CCCN(CC)CC1COC2(CCC(C(C)(C)C)CC2)O1,0
|
436 |
+
CCCCON(OC(C)=O)C(=O)c1ccc(Br)cc1,1
|
437 |
+
CCCCOC(=O)c1ccccc1N,0
|
438 |
+
CCCCN(CCCO)N=O,1
|
439 |
+
CCCCN(CCC(C)O)N=O,1
|
440 |
+
CCCCCCN(N=O)C(N)=O,1
|
441 |
+
CCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,0
|
442 |
+
CCCCCCCCCCCCCCC1CO1,0
|
443 |
+
CCCCCCCCCCCC(=O)O,0
|
444 |
+
CCCCCCCCCCC1CO1,0
|
445 |
+
CCCCC(CC)COCCCN,0
|
446 |
+
CCCC(=O)c1cnn(-c2cnc(N)cn2)c1C,0
|
447 |
+
CCCC(=O)Nc1snc2ccc(Cl)cc12,0
|
448 |
+
CCC(C)COC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F,0
|
449 |
+
CC1Cc2c(Cl)cc(C(=O)NC(Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1,0
|
450 |
+
CC1CCc2c1ccc1c2ccc2ccccc21,1
|
451 |
+
CC1CCN(N=O)CC1,1
|
452 |
+
CC1CCCC(=O)CCCC=Cc2cc(O)cc(O)c2C(=O)O1,0
|
453 |
+
CC1=CCC2C(C)=CCC(C(C)(C)C)C2C1,0
|
454 |
+
CC1=CC(O)C2CC1C2(C)C,0
|
455 |
+
CC12OOC1(CO)Oc1ccccc12,0
|
456 |
+
CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O,0
|
457 |
+
CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(=O)O,0
|
458 |
+
CC/C=C/C=C/C=C/C=C/C=O,0
|
459 |
+
CC(OP(C)(=O)F)C(C)(C)C,0
|
460 |
+
CC(Cl)CO,1
|
461 |
+
CC(C)[C@@H]1CC[C@@H](C)CC1=O,1
|
462 |
+
CC(C)C1C2CCC1c1c(NC(=O)c3cn(C)nc3C(F)F)cccc12,0
|
463 |
+
CC(C)(C)OC(=O)CN=[N+]=[N-],1
|
464 |
+
CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2,0
|
465 |
+
CC(C(O)CC(=O)O)C(O)(Cn1cncn1)c1ccc(Cl)cc1,0
|
466 |
+
CC(Br)c1ccccc1,0
|
467 |
+
CC(Br)C(=O)NCc1ccc(Cl)cc1,1
|
468 |
+
CC(Br)(CO)CBr,0
|
469 |
+
CC(=O)n1ncc(Cl)c(Cl)c1=O,0
|
470 |
+
CC(=O)c1cc2c(cc1C)C(C)(C)C(C)CC2(C)C,0
|
471 |
+
CC(=O)c1c([N+](=O)[O-])cc([N+](=O)[O-])n1[N+](=O)[O-],1
|
472 |
+
CC(=O)OC1C(=O)OC2C(OC(C)=O)C(=O)OC12,0
|
473 |
+
CC(=O)Nc1ccc(C)c(N=[N+]([O-])c2cc(NC(C)=O)ccc2C)c1,0
|
474 |
+
CC(=O)Nc1ccc(/C=C/C(=O)c2ccccc2)cc1,1
|
475 |
+
CC(=O)Nc1ccc(-c2ccc(N)cc2)cc1,1
|
476 |
+
CC(=O)Nc1cc2c(cc1OC(C)=O)-c1ccccc1C2,0
|
477 |
+
CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,0
|
478 |
+
CC(=O)C(N=Nc1ccc(-c2ccc(N=NC(C(C)=O)C(=O)Nc3ccccc3)c(Cl)c2)cc1Cl)C(=O)Nc1ccccc1,0
|
479 |
+
CC(=N)S,0
|
480 |
+
CC(=C\C1=CCOC1=O)/C=C(C)/C=C/C=C(\C)C(=O)C12OC1C(O)(CCO)NC2=O,1
|
481 |
+
CC#N,0
|
482 |
+
C=CC(=O)OCCCCCOC(=O)C=C,0
|
483 |
+
C=CC(=O)N(C)CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(C3CC3)cc2F)c1C,0
|
484 |
+
C=C1C(=O)OC2C1CCC(C)C1=CCC(=O)C12C,0
|
485 |
+
C=C(F)F,1
|
486 |
+
C=C(C)[C@H]1CC=C(C)[C@@H](OC(C)=O)C1,0
|
487 |
+
C=C(C)[C@H]1C=C2C(COC(=O)CCCCCCCCCCCCCCCCC)=CC=C2C(C)=CC1,1
|
488 |
+
C=C(C)C(=O)OCCOC(=O)NCCC(C)CC(C)(C)CNC(=O)OCCOC(=O)C(=C)C,0
|
489 |
+
C=C(C)C(=O)OCCO,0
|
490 |
+
C=C(C)C(=O)OCCCCCCCC,0
|
491 |
+
C=C(C)C(=O)N[N+](C)(C)CC(C)O,0
|
492 |
+
C1C[C@H](O[C@H]2CC[C@@H]3O[C@@H]32)[C@H]2O[C@@H]12,0
|
493 |
+
C1CCC(NC2CCCCC2)CC1,0
|
494 |
+
C1=CC2OC2C=C1,1
|
495 |
+
C1=CC2CCCCC2c2ccccc21,1
|
496 |
+
C/C=C/C=C/CCCCCCCO,0
|
497 |
+
C/C=C(C(=C/C)/c1ccc(O)cc1)\c1ccc(O)cc1,0
|
498 |
+
C/C(C=O)=C(/Cl)C(=O)O,1
|
499 |
+
BrCc1ccc2c(c1)-c1cccc3cccc-2c13,1
|
500 |
+
BrCC1CO1,1
|
501 |
+
BrCBr,1
|
sft/test/admet_cls.json
ADDED
@@ -0,0 +1,2502 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
1 |
+
[
|
2 |
+
{
|
3 |
+
"instruction": "你能给我这个分子的血脑屏障吗?",
|
4 |
+
"input": "c1ccc2c(c1)CCNC2",
|
5 |
+
"output": "有"
|
6 |
+
},
|
7 |
+
{
|
8 |
+
"instruction": "我需要知道这个分子的BBB,你能提供吗?",
|
9 |
+
"input": "c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1",
|
10 |
+
"output": "无"
|
11 |
+
},
|
12 |
+
{
|
13 |
+
"instruction": "请提供该分子的BBB。",
|
14 |
+
"input": "Oc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)NCC[C@@]341",
|
15 |
+
"output": "有"
|
16 |
+
},
|
17 |
+
{
|
18 |
+
"instruction": "你能告诉我这个分子BBB吗?",
|
19 |
+
"input": "Oc1ccc2[nH]cc(CCCCN3CC=C(c4ccccc4)CC3)c2c1",
|
20 |
+
"output": "有"
|
21 |
+
},
|
22 |
+
{
|
23 |
+
"instruction": "这个分子的血脑屏障是多少?",
|
24 |
+
"input": "O[C@H](OCC(CO[C@@H](O)C(Cl)(Cl)Cl)(CO[C@H](O)C(Cl)(Cl)Cl)CO[C@H](O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl",
|
25 |
+
"output": "有"
|
26 |
+
},
|
27 |
+
{
|
28 |
+
"instruction": "这个分子的BBB是多少?",
|
29 |
+
"input": "OCc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O",
|
30 |
+
"output": "有"
|
31 |
+
},
|
32 |
+
{
|
33 |
+
"instruction": "请提供该分子的血脑屏障。",
|
34 |
+
"input": "OCc1ccccc1OC1OC(CO)C(O)C(O)C1O",
|
35 |
+
"output": "有"
|
36 |
+
},
|
37 |
+
{
|
38 |
+
"instruction": "这个分子的BBB是多少?",
|
39 |
+
"input": "OCCN1CCN(CC/C=C2/c3ccccc3COc3ccc(Cl)cc32)CC1",
|
40 |
+
"output": "有"
|
41 |
+
},
|
42 |
+
{
|
43 |
+
"instruction": "我想知道这个分子的血脑屏障,你能提供吗?",
|
44 |
+
"input": "OC(c1ccccc1)(c1ccccc1)C1CCCCN1",
|
45 |
+
"output": "有"
|
46 |
+
},
|
47 |
+
{
|
48 |
+
"instruction": "这个分子的BBB是多少?",
|
49 |
+
"input": "O=P(O)(O)C(O)(Cn1ccnc1)P(=O)(O)O",
|
50 |
+
"output": "无"
|
51 |
+
},
|
52 |
+
{
|
53 |
+
"instruction": "请提供该分子的血脑屏障。",
|
54 |
+
"input": "O=P(O)(O)C(Cc1ccc(Cl)cc1)P(=O)(O)O",
|
55 |
+
"output": "无"
|
56 |
+
},
|
57 |
+
{
|
58 |
+
"instruction": "我想知道这个分子的血脑屏障,你能提供吗?",
|
59 |
+
"input": "O=NN(CCCl)C(=O)NC1CCCCC1",
|
60 |
+
"output": "有"
|
61 |
+
},
|
62 |
+
{
|
63 |
+
"instruction": "这个分子的BBB是多少?",
|
64 |
+
"input": "O=C1c2c(O)cc(O)cc2CC(c2ccc(O)c(O)c2)C1O",
|
65 |
+
"output": "无"
|
66 |
+
},
|
67 |
+
{
|
68 |
+
"instruction": "这个分子的血脑屏障是多少?",
|
69 |
+
"input": "O=C1NC(CCCl)Oc2ccccc21",
|
70 |
+
"output": "有"
|
71 |
+
},
|
72 |
+
{
|
73 |
+
"instruction": "我对这个分子的血脑屏障很感兴趣,你能告诉我它是多少吗?",
|
74 |
+
"input": "O=C1C[C@@H](c2cccnc2)c2c(ccc3c2OC2(CCCCC2)CC3=O)O1",
|
75 |
+
"output": "无"
|
76 |
+
},
|
77 |
+
{
|
78 |
+
"instruction": "请给我提供这个分子的血脑屏障值。",
|
79 |
+
"input": "O=C1CNC(c2ccccc2)=c2c3c(sc2=N1)CCCC3",
|
80 |
+
"output": "有"
|
81 |
+
},
|
82 |
+
{
|
83 |
+
"instruction": "这个分子的BBB是多少?",
|
84 |
+
"input": "O=C1CN2CCOC2(c2ccccc2F)c2cc(Cl)ccc2N1CCO",
|
85 |
+
"output": "有"
|
86 |
+
},
|
87 |
+
{
|
88 |
+
"instruction": "请给我这个分子的BBB。",
|
89 |
+
"input": "O=C1CN2CCOC2(c2ccccc2F)c2cc(Br)ccc2N1",
|
90 |
+
"output": "有"
|
91 |
+
},
|
92 |
+
{
|
93 |
+
"instruction": "请提供该分子的血脑屏障。",
|
94 |
+
"input": "O=C1CN(/N=C\\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1",
|
95 |
+
"output": "有"
|
96 |
+
},
|
97 |
+
{
|
98 |
+
"instruction": "这个分子的血脑屏障是多少?",
|
99 |
+
"input": "O=C1CCC(c2ccccc2)(C2CCN(CC=Cc3ccccc3)CC2)C(=O)N1",
|
100 |
+
"output": "有"
|
101 |
+
},
|
102 |
+
{
|
103 |
+
"instruction": "这个分子的血脑屏障是多少?",
|
104 |
+
"input": "O=C1C(Cc2ccccc2)N(S(=O)(=O)c2cccc(O)c2)C(=O)C(Cc2ccccc2)N1S(=O)(=O)c1cccc(O)c1",
|
105 |
+
"output": "有"
|
106 |
+
},
|
107 |
+
{
|
108 |
+
"instruction": "这个分子的血脑屏障是多少?",
|
109 |
+
"input": "O=C1C(CC[S+]([O-])c2ccccc2)C(=O)N(c2ccccc2)N1c1ccccc1",
|
110 |
+
"output": "无"
|
111 |
+
},
|
112 |
+
{
|
113 |
+
"instruction": "你能给我这个分子的血脑屏障?",
|
114 |
+
"input": "O=C(OC1CC2CCC(C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1",
|
115 |
+
"output": "有"
|
116 |
+
},
|
117 |
+
{
|
118 |
+
"instruction": "你能告诉我这个分子的血脑屏障值吗?",
|
119 |
+
"input": "O=C(O)c1ccccc1C(=O)OC1CCc2ccccc2C1",
|
120 |
+
"output": "有"
|
121 |
+
},
|
122 |
+
{
|
123 |
+
"instruction": "这个分子的BBB是多少?",
|
124 |
+
"input": "O=C(O)c1cc[nH]c1NCCSCc1ncccc1Br",
|
125 |
+
"output": "有"
|
126 |
+
},
|
127 |
+
{
|
128 |
+
"instruction": "请提供该分子的BBB值。",
|
129 |
+
"input": "O=C(O)c1cc(=O)c2ccccc2o1",
|
130 |
+
"output": "有"
|
131 |
+
},
|
132 |
+
{
|
133 |
+
"instruction": "这个分子的BBB是多少?",
|
134 |
+
"input": "O=C(O)C1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O",
|
135 |
+
"output": "有"
|
136 |
+
},
|
137 |
+
{
|
138 |
+
"instruction": "请给我提供这个分子的血脑屏障值。",
|
139 |
+
"input": "O=C(O)C1=C(CSc2nnnn2CS(=O)(=O)O)CS[C@H]2[C@@H](NC(=O)[C@H](O)c3ccccc3)C(=O)N12",
|
140 |
+
"output": "无"
|
141 |
+
},
|
142 |
+
{
|
143 |
+
"instruction": "这个分子的BBB是多少?",
|
144 |
+
"input": "O=C(Nc1nc2ccccc2s1)c1ccc(N2CCOCC2)cc1",
|
145 |
+
"output": "有"
|
146 |
+
},
|
147 |
+
{
|
148 |
+
"instruction": "我想知道这个分子的BBB,你能提供吗?",
|
149 |
+
"input": "O=C(N[C@H]1CC[C@H](O)CC1)C1CC(CCc2ccccc2)C1",
|
150 |
+
"output": "有"
|
151 |
+
},
|
152 |
+
{
|
153 |
+
"instruction": "你能给我这个分子的血脑屏障吗?",
|
154 |
+
"input": "O=C(N[C@@H](Cc1ccccn1)C1CC(O)C1)c1n[nH]c2ccccc12",
|
155 |
+
"output": "有"
|
156 |
+
},
|
157 |
+
{
|
158 |
+
"instruction": "我想知道这个分子的BBB,你能提供吗?",
|
159 |
+
"input": "O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(=O)c2cc(O)ccc2o1",
|
160 |
+
"output": "有"
|
161 |
+
},
|
162 |
+
{
|
163 |
+
"instruction": "我对这个分子的血脑屏障���感兴趣,你能告诉我它是多少吗?",
|
164 |
+
"input": "O=C(Cc1ccc(Cl)c(Cl)c1)N1CCn2ccnc2C1CN1CCCC1",
|
165 |
+
"output": "有"
|
166 |
+
},
|
167 |
+
{
|
168 |
+
"instruction": "这个分子的血脑屏障是多少?",
|
169 |
+
"input": "O=C(C[S+]([O-])Cc1ccco1)NC/C=C/COc1cc(CN2CCCCC2)ccn1",
|
170 |
+
"output": "无"
|
171 |
+
},
|
172 |
+
{
|
173 |
+
"instruction": "请给我这个分子的血脑屏障。",
|
174 |
+
"input": "O=C(CCCCCNc1c2c(nc3ccccc13)CCCC2)NCCc1c[nH]c2ccc(O)cc12",
|
175 |
+
"output": "有"
|
176 |
+
},
|
177 |
+
{
|
178 |
+
"instruction": "你能给我这个分子的血脑屏障吗?",
|
179 |
+
"input": "Nc1nc2c(c(=O)[nH]1)N(C=O)[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)CN2",
|
180 |
+
"output": "有"
|
181 |
+
},
|
182 |
+
{
|
183 |
+
"instruction": "你能告诉我这个分子的BBB值吗?",
|
184 |
+
"input": "Nc1nc(OC(C(F)(F)F)C(F)(F)F)ccc1[N+](=O)[O-]",
|
185 |
+
"output": "无"
|
186 |
+
},
|
187 |
+
{
|
188 |
+
"instruction": "你能告诉我这个分子血脑屏障吗?",
|
189 |
+
"input": "Nc1nc(/C(=C\\CC(=O)O)C(=O)NC2C(=O)N3C(C(=O)O)=CCS[C@@H]23)cs1",
|
190 |
+
"output": "无"
|
191 |
+
},
|
192 |
+
{
|
193 |
+
"instruction": "这个分子的BBB是多少?",
|
194 |
+
"input": "NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](N)[C@@H](O)[C@@H]1O",
|
195 |
+
"output": "无"
|
196 |
+
},
|
197 |
+
{
|
198 |
+
"instruction": "这个分子的BBB是多少?",
|
199 |
+
"input": "NC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](N)C[C@@H](N)[C@@H]3O[C@@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)O[C@@H]2CO)[C@@H](N)[C@H](O)[C@H]1O",
|
200 |
+
"output": "无"
|
201 |
+
},
|
202 |
+
{
|
203 |
+
"instruction": "请提供该分子的BBB。",
|
204 |
+
"input": "NC[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](N)C[C@@H]2N)[C@@H](N)[C@H](O)[C@@H]1O",
|
205 |
+
"output": "无"
|
206 |
+
},
|
207 |
+
{
|
208 |
+
"instruction": "这个分子的BBB是多少?",
|
209 |
+
"input": "NCC[C@H](O)C(=O)N[C@H]1C[C@H](N)[C@@H](O[C@H]2O[C@@H](CN)CC[C@@H]2N)[C@H](O)[C@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@H](N)[C@@H]1O",
|
210 |
+
"output": "无"
|
211 |
+
},
|
212 |
+
{
|
213 |
+
"instruction": "请给我提供这个分子的BBB。",
|
214 |
+
"input": "NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](OC2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OC1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O",
|
215 |
+
"output": "无"
|
216 |
+
},
|
217 |
+
{
|
218 |
+
"instruction": "你能给我这个分子的BBB吗?",
|
219 |
+
"input": "NCC[C@@H](O)C(=O)N[C@@H]1C[C@H](N)[C@H](O[C@@H]2O[C@@H](CN)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](N)[C@@H]1O",
|
220 |
+
"output": "无"
|
221 |
+
},
|
222 |
+
{
|
223 |
+
"instruction": "这个分子的血脑屏障是多少?",
|
224 |
+
"input": "NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1O",
|
225 |
+
"output": "无"
|
226 |
+
},
|
227 |
+
{
|
228 |
+
"instruction": "请提供该分子的血脑屏障。",
|
229 |
+
"input": "NC(=O)c1ccc(F)c2c1C[C@@H](N(C1CCC1)C1CCC1)CO2",
|
230 |
+
"output": "有"
|
231 |
+
},
|
232 |
+
{
|
233 |
+
"instruction": "我需要知道这个分子的BBB,你能提供吗?",
|
234 |
+
"input": "N#Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1",
|
235 |
+
"output": "有"
|
236 |
+
},
|
237 |
+
{
|
238 |
+
"instruction": "请提供该分子的血脑屏障。",
|
239 |
+
"input": "N#CCN[C@@H]1CCc2ccccc21",
|
240 |
+
"output": "有"
|
241 |
+
},
|
242 |
+
{
|
243 |
+
"instruction": "请提供该分子的血脑屏障。",
|
244 |
+
"input": "Fc1ccccc1C1=NCCN(CC(F)(F)F)c2ccc(Cl)cc21",
|
245 |
+
"output": "有"
|
246 |
+
},
|
247 |
+
{
|
248 |
+
"instruction": "这个分子的BBB是多少?",
|
249 |
+
"input": "Fc1cc2[nH]c(-c3cccc(N4CCc5ccccc5C4)c3)nc2cc1Cl",
|
250 |
+
"output": "有"
|
251 |
+
},
|
252 |
+
{
|
253 |
+
"instruction": "请给我提供这个分子的血脑屏障值。",
|
254 |
+
"input": "Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](OC=O)c3ccccc3)[C@H]2SC1",
|
255 |
+
"output": "无"
|
256 |
+
},
|
257 |
+
{
|
258 |
+
"instruction": "请提供该分子的血脑屏障。",
|
259 |
+
"input": "Cn1c(=O)c2c(ncn2CCNC[C@H](O)c2ccc(O)c(O)c2)n(C)c1=O",
|
260 |
+
"output": "无"
|
261 |
+
},
|
262 |
+
{
|
263 |
+
"instruction": "我想知道这个分子的血脑屏障,你能提供吗?",
|
264 |
+
"input": "Cc1nnc(SCC2=C(C(=O)OCc3oc(=O)oc3C)N3C(=O)[C@H](NC(=O)[C@H](OC(=O)[C@H](C)N)c4ccccc4)[C@@H]3SC2)s1",
|
265 |
+
"output": "无"
|
266 |
+
},
|
267 |
+
{
|
268 |
+
"instruction": "这个分子的血脑屏障是多少?",
|
269 |
+
"input": "Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1",
|
270 |
+
"output": "无"
|
271 |
+
},
|
272 |
+
{
|
273 |
+
"instruction": "你能告诉我这个分子的BBB值吗?",
|
274 |
+
"input": "Cc1ccc2nc(NC(=O)c3ccc(N4CCOCC4)cc3)sc2c1",
|
275 |
+
"output": "有"
|
276 |
+
},
|
277 |
+
{
|
278 |
+
"instruction": "请提供该分子的BBB。",
|
279 |
+
"input": "Cc1ccc2[nH]c(CCC(=O)N[C@H](C)Cc3cnccn3)nc2c1C",
|
280 |
+
"output": "无"
|
281 |
+
},
|
282 |
+
{
|
283 |
+
"instruction": "我想知道这个分子的BBB,你能提供吗?",
|
284 |
+
"input": "Cc1ccc([C@H](C)NC(=O)CCSc2ccccc2)cc1C",
|
285 |
+
"output": "有"
|
286 |
+
},
|
287 |
+
{
|
288 |
+
"instruction": "这个分子的BBB是多少?",
|
289 |
+
"input": "Cc1ccc(S(=O)(=O)NC(=O)NN2C[C@H]3CCC[C@H]3C2)cc1",
|
290 |
+
"output": "有"
|
291 |
+
},
|
292 |
+
{
|
293 |
+
"instruction": "这个分子的血脑屏障是多少?",
|
294 |
+
"input": "Cc1ccc(S(=O)(=O)CCN2C(=O)CN=C(c3ccccc3Cl)c3cc(Cl)ccc32)cc1",
|
295 |
+
"output": "有"
|
296 |
+
},
|
297 |
+
{
|
298 |
+
"instruction": "请提供该分子的BBB。",
|
299 |
+
"input": "Cc1cc(C2CCCCC2)n(O)c(=O)c1",
|
300 |
+
"output": "无"
|
301 |
+
},
|
302 |
+
{
|
303 |
+
"instruction": "请提供该分子的血脑屏障。",
|
304 |
+
"input": "Cc1cc(C)c(=O)[nH]n1",
|
305 |
+
"output": "有"
|
306 |
+
},
|
307 |
+
{
|
308 |
+
"instruction": "���提供该分子的BBB。",
|
309 |
+
"input": "Cc1cc(C(=O)N(C)[C@@H](C)c2ccncn2)ccc1Cl",
|
310 |
+
"output": "无"
|
311 |
+
},
|
312 |
+
{
|
313 |
+
"instruction": "请给我提供这个分子的血脑屏障。",
|
314 |
+
"input": "Cc1[nH]ccc2c1[nH]c1cc(=O)ccc12",
|
315 |
+
"output": "有"
|
316 |
+
},
|
317 |
+
{
|
318 |
+
"instruction": "这个分子的血脑屏障是多少?",
|
319 |
+
"input": "C[S+](CC[C@H](N)C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O",
|
320 |
+
"output": "有"
|
321 |
+
},
|
322 |
+
{
|
323 |
+
"instruction": "我想知道这个分子的BBB,你能提供吗?",
|
324 |
+
"input": "C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@@H](O)[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F",
|
325 |
+
"output": "有"
|
326 |
+
},
|
327 |
+
{
|
328 |
+
"instruction": "我对这个分子的BBB很感兴趣,你能告诉我它是什么吗?",
|
329 |
+
"input": "C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O",
|
330 |
+
"output": "有"
|
331 |
+
},
|
332 |
+
{
|
333 |
+
"instruction": "我想知道这个分子的血脑屏障,你能提供吗?",
|
334 |
+
"input": "C[C@H]1c2cccc(O)c2C(O)=C2C(=O)[C@]3(O)C(=O)/C(=C(/N)O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21",
|
335 |
+
"output": "有"
|
336 |
+
},
|
337 |
+
{
|
338 |
+
"instruction": "我对这个分子的BBB很感兴趣,你能告诉我它是什么吗?",
|
339 |
+
"input": "C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5C[C@@H](O)[C@]5(C)C(C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O",
|
340 |
+
"output": "无"
|
341 |
+
},
|
342 |
+
{
|
343 |
+
"instruction": "我想知道这个分子的血脑屏障,你能提供吗?",
|
344 |
+
"input": "C[C@H]1C[C@H]2[C@H]3C[C@H](F)C4=CC(=O)C=C[C@@]4(C)[C@@]3(Cl)[C@H](O)C[C@@]2(C)[C@H]1C(=O)CO",
|
345 |
+
"output": "有"
|
346 |
+
},
|
347 |
+
{
|
348 |
+
"instruction": "请给我提供这个分子的血脑屏障。",
|
349 |
+
"input": "C[C@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@]2(C)[C@H]1C(=O)COC(=O)C(C)(C)C",
|
350 |
+
"output": "有"
|
351 |
+
},
|
352 |
+
{
|
353 |
+
"instruction": "我想知道这个分子的BBB,你能提供吗?",
|
354 |
+
"input": "C[C@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=CC4(C)[C@H]3[C@@H](O)CC2(C)C1C(=O)CO",
|
355 |
+
"output": "有"
|
356 |
+
},
|
357 |
+
{
|
358 |
+
"instruction": "你能告诉我这个分子BBB吗?",
|
359 |
+
"input": "C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=CC4(C)C3(F)C(=O)CC2(C)C1(O)C(=O)CCl",
|
360 |
+
"output": "有"
|
361 |
+
},
|
362 |
+
{
|
363 |
+
"instruction": "这个分子的血脑屏障是多少?",
|
364 |
+
"input": "C[C@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@H](C)N1",
|
365 |
+
"output": "有"
|
366 |
+
},
|
367 |
+
{
|
368 |
+
"instruction": "你能给我这个分子的血脑屏障?",
|
369 |
+
"input": "C[C@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(F)S[C@@H]12",
|
370 |
+
"output": "无"
|
371 |
+
},
|
372 |
+
{
|
373 |
+
"instruction": "请给我提供这个分子的血脑屏障。",
|
374 |
+
"input": "C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@]2(C)[C@H]1C(=O)CO",
|
375 |
+
"output": "有"
|
376 |
+
},
|
377 |
+
{
|
378 |
+
"instruction": "请提供该分子的BBB。",
|
379 |
+
"input": "CS(=O)(=O)c1ccc([C@H](O)[C@@H](CO)NC(=O)C(Cl)Cl)cc1",
|
380 |
+
"output": "有"
|
381 |
+
},
|
382 |
+
{
|
383 |
+
"instruction": "我对这个分子的BBB很感兴趣,你能告诉我它是多少吗?",
|
384 |
+
"input": "CS(=O)(=O)c1ccc([C@@H](O)[C@H](CF)NC(=O)C(Cl)Cl)cc1",
|
385 |
+
"output": "有"
|
386 |
+
},
|
387 |
+
{
|
388 |
+
"instruction": "你能给我这个分子的BBB吗?",
|
389 |
+
"input": "COc1ccccc1CNC1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1",
|
390 |
+
"output": "有"
|
391 |
+
},
|
392 |
+
{
|
393 |
+
"instruction": "请给我提供这个分子的血脑屏障。",
|
394 |
+
"input": "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO)C[C@H]3O[C@H]1C[C@@H](NC(=O)[C@H](N)CC(C)C)[C@H](O)[C@H](C)O1",
|
395 |
+
"output": "无"
|
396 |
+
},
|
397 |
+
{
|
398 |
+
"instruction": "你能给我这个分子的BBB吗?",
|
399 |
+
"input": "COc1ccc2c3c1OC1C(O)CCC4C(C2)N(C)CCC341",
|
400 |
+
"output": "有"
|
401 |
+
},
|
402 |
+
{
|
403 |
+
"instruction": "我想知道这个分子的血脑屏障,你能提供吗?",
|
404 |
+
"input": "COc1ccc2c(c1OC)C(=O)O[C@H]2[C@@H]1c2c(cc3c(c2OC)OCO3)CCN1C",
|
405 |
+
"output": "有"
|
406 |
+
},
|
407 |
+
{
|
408 |
+
"instruction": "你能给我这个分子的血脑屏障?",
|
409 |
+
"input": "COc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(C#N)C=O)cc1",
|
410 |
+
"output": "有"
|
411 |
+
},
|
412 |
+
{
|
413 |
+
"instruction": "请提供该分子的血脑屏障值。",
|
414 |
+
"input": "COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@@H]1CCCN1C",
|
415 |
+
"output": "有"
|
416 |
+
},
|
417 |
+
{
|
418 |
+
"instruction": "这个分子的BBB是多少?",
|
419 |
+
"input": "COc1ccc(OC[C@H]2CN(C)CC[C@@H]2c2ccccc2)cc1",
|
420 |
+
"output": "有"
|
421 |
+
},
|
422 |
+
{
|
423 |
+
"instruction": "你能告诉我这个分子的BBB吗?",
|
424 |
+
"input": "COc1ccc(OC(F)(F)F)cc1CNC1CCCNC1c1ccccc1",
|
425 |
+
"output": "有"
|
426 |
+
},
|
427 |
+
{
|
428 |
+
"instruction": "请给我提供这个分子的血脑屏障值。",
|
429 |
+
"input": "COc1ccc(CN(CCN(C)C)c2ccccn2)cc1",
|
430 |
+
"output": "有"
|
431 |
+
},
|
432 |
+
{
|
433 |
+
"instruction": "我对这个分子的BBB很感兴趣,你能告诉我它是多少吗?",
|
434 |
+
"input": "COc1cc2c(cc1OC)C(c1cccc(Cl)c1)=NN=C(C)C2",
|
435 |
+
"output": "有"
|
436 |
+
},
|
437 |
+
{
|
438 |
+
"instruction": "请给我提供这个分子的血脑屏障值。",
|
439 |
+
"input": "COc1cc2c(cc1OC)C(=O)[C@@H](CC1CCN(Cc3ccccc3)CC1)C2",
|
440 |
+
"output": "有"
|
441 |
+
},
|
442 |
+
{
|
443 |
+
"instruction": "我需要知道这个分子的BBB,你能提供吗?",
|
444 |
+
"input": "COc1cc2c(cc1O)CCC(C)(CC(=O)NCCc1ccc(O)c(O)c1)O2",
|
445 |
+
"output": "无"
|
446 |
+
},
|
447 |
+
{
|
448 |
+
"instruction": "你能告诉我这个分子的血脑屏障值吗?",
|
449 |
+
"input": "COc1cc(O)c2c(c1)O/C(=C\\c1ccc(N3CCCCC3)cc1)C2=O",
|
450 |
+
"output": "有"
|
451 |
+
},
|
452 |
+
{
|
453 |
+
"instruction": "请给我提供这个分子的血脑屏障。",
|
454 |
+
"input": "COc1cc(C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc(OC)c1OC",
|
455 |
+
"output": "有"
|
456 |
+
},
|
457 |
+
{
|
458 |
+
"instruction": "你能告诉我这个分子的BBB值吗?",
|
459 |
+
"input": "COc1cc(Br)c2oc(C3CCNCC3)cc2c1",
|
460 |
+
"output": "有"
|
461 |
+
},
|
462 |
+
{
|
463 |
+
"instruction": "你能给我这个分子的血脑屏障吗?",
|
464 |
+
"input": "CO[C@]1(NC(=O)C2SC(=C(C#N)C(=O)O)S2)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21",
|
465 |
+
"output": "无"
|
466 |
+
},
|
467 |
+
{
|
468 |
+
"instruction": "你能告诉我这个分子的血脑屏障值吗?",
|
469 |
+
"input": "CO[C@@H]1[C@@H](O)[C@H](N)[C@H](O[C@@H]2O[C@H]([C@H](C)N)CC[C@@H]2N)[C@@H](O)[C@@H]1N(C)C(=O)CN",
|
470 |
+
"output": "无"
|
471 |
+
},
|
472 |
+
{
|
473 |
+
"instruction": "你能给我这个分子的BBB吗?",
|
474 |
+
"input": "CON=CC1=CCCN(C)C1",
|
475 |
+
"output": "有"
|
476 |
+
},
|
477 |
+
{
|
478 |
+
"instruction": "请提供该分子的BBB值。",
|
479 |
+
"input": "COCc1c(C(C)C)nc(C(C)C)c(C=CC(O)CC(O)CC(=O)O)c1-c1ccc(F)cc1",
|
480 |
+
"output": "有"
|
481 |
+
},
|
482 |
+
{
|
483 |
+
"instruction": "请提供该分子的BBB。",
|
484 |
+
"input": "COC[C@]1(C(N)=S)[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(C)(=O)=O",
|
485 |
+
"output": "有"
|
486 |
+
},
|
487 |
+
{
|
488 |
+
"instruction": "这个分子的BBB是多少?",
|
489 |
+
"input": "COCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)/C(=N\\OC)c3csc(N)n3)[C@H]2SC1",
|
490 |
+
"output": "有"
|
491 |
+
},
|
492 |
+
{
|
493 |
+
"instruction": "这个分子的血脑屏障是多少?",
|
494 |
+
"input": "COC12CC[C@@]3(C[C@@H]1C(C)(O)C(C)(C)C)[C@@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5",
|
495 |
+
"output": "有"
|
496 |
+
},
|
497 |
+
{
|
498 |
+
"instruction": "我想知道这个分子的BBB,你能提供吗?",
|
499 |
+
"input": "COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1",
|
500 |
+
"output": "无"
|
501 |
+
},
|
502 |
+
{
|
503 |
+
"instruction": "我想知道这个分子的血脑屏障,你能提供吗?",
|
504 |
+
"input": "COC(=O)C[C@@H](c1cc(OC)c2c(c1)OCCO2)c1c(O)c(C(=O)OC)c[nH]c1=O",
|
505 |
+
"output": "有"
|
506 |
+
},
|
507 |
+
{
|
508 |
+
"instruction": "请提供该分子的血脑屏障。",
|
509 |
+
"input": "CO/N=C(\\C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c(=O)[nH]n3C)CS[C@H]12)c1csc(N)n1",
|
510 |
+
"output": "无"
|
511 |
+
},
|
512 |
+
{
|
513 |
+
"instruction": "这个分子的血脑屏障是多少?",
|
514 |
+
"input": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@H]12)c1csc(N)n1",
|
515 |
+
"output": "有"
|
516 |
+
},
|
517 |
+
{
|
518 |
+
"instruction": "你能给我这个分子的BBB?",
|
519 |
+
"input": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@@H]12)c1csc(N)n1",
|
520 |
+
"output": "无"
|
521 |
+
},
|
522 |
+
{
|
523 |
+
"instruction": "请提供该分子的血脑屏障。",
|
524 |
+
"input": "CO/N=C(\\C(=O)NC1C(=O)N2C(C(=O)O)=C(/C=C\\c3scnc3C)CS[C@H]12)c1csc(N)n1",
|
525 |
+
"output": "有"
|
526 |
+
},
|
527 |
+
{
|
528 |
+
"instruction": "这个分子的BBB是多少?",
|
529 |
+
"input": "CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(C[n+]3ccn4ncccc43)CS[C@H]12)c1nsc(N)n1",
|
530 |
+
"output": "无"
|
531 |
+
},
|
532 |
+
{
|
533 |
+
"instruction": "你能告诉我这个分子血脑屏障吗?",
|
534 |
+
"input": "CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(/C=C/Sc3n[nH]c(=O)c(=O)n3CC=O)CS[C@@H]12)c1csc(N)n1",
|
535 |
+
"output": "无"
|
536 |
+
},
|
537 |
+
{
|
538 |
+
"instruction": "请提供该分子的血脑屏障。",
|
539 |
+
"input": "CO/N=C(/C(=O)NC1C(=O)N(OCC(=O)O)C1C)c1csc(N)n1",
|
540 |
+
"output": "无"
|
541 |
+
},
|
542 |
+
{
|
543 |
+
"instruction": "你能给我这个分子的BBB吗?",
|
544 |
+
"input": "CNCC[C@H](O)[C@H]1C[C@H](SC2=C(C(=O)O)N3C(=O)[C@H]([C@@H](C)O)[C@H]3[C@@H]2C)CN1",
|
545 |
+
"output": "无"
|
546 |
+
},
|
547 |
+
{
|
548 |
+
"instruction": "请给我提供这个分子的血脑屏障值。",
|
549 |
+
"input": "CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1",
|
550 |
+
"output": "有"
|
551 |
+
},
|
552 |
+
{
|
553 |
+
"instruction": "这个分子的BBB是多少?",
|
554 |
+
"input": "CNC(C[N+](=O)[O-])=NCCSc1ccc(CN(C)C)o1",
|
555 |
+
"output": "无"
|
556 |
+
},
|
557 |
+
{
|
558 |
+
"instruction": "这个分子的血脑屏障是多少?",
|
559 |
+
"input": "CNC(=O)CCN1CCN(CCC=C2c3ccccc3Sc3ccc(Cl)cc32)CC1",
|
560 |
+
"output": "有"
|
561 |
+
},
|
562 |
+
{
|
563 |
+
"instruction": "请给我这个分子的BBB。",
|
564 |
+
"input": "CN1CCc2cc(Cl)c(O)cc2C(c2ccccc2)C1",
|
565 |
+
"output": "有"
|
566 |
+
},
|
567 |
+
{
|
568 |
+
"instruction": "你能告诉我这个分子的BBB吗?",
|
569 |
+
"input": "CN1CCN(CCC(=O)N2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1",
|
570 |
+
"output": "有"
|
571 |
+
},
|
572 |
+
{
|
573 |
+
"instruction": "我对这个分子的BBB很感兴趣,你能告诉我它是多少吗?",
|
574 |
+
"input": "CN1CCN(C2=Nc3cscc3C(=CC#N)c3cscc32)CC1",
|
575 |
+
"output": "有"
|
576 |
+
},
|
577 |
+
{
|
578 |
+
"instruction": "这个分子的BBB是多少?",
|
579 |
+
"input": "CN1CC(O)c2cc(N=NC(N)=O)c(O)cc21",
|
580 |
+
"output": "无"
|
581 |
+
},
|
582 |
+
{
|
583 |
+
"instruction": "我对这个分子的血脑屏障很感兴趣,你能告诉我它是什么吗?",
|
584 |
+
"input": "CN1C2CCCC1CC(NC(=O)c1nn(C)c3ccccc13)C2",
|
585 |
+
"output": "有"
|
586 |
+
},
|
587 |
+
{
|
588 |
+
"instruction": "请给我提供这个分子的血脑屏障。",
|
589 |
+
"input": "CN1C(=O)CCC1c1cccnc1",
|
590 |
+
"output": "有"
|
591 |
+
},
|
592 |
+
{
|
593 |
+
"instruction": "这个分子的BBB是多少?",
|
594 |
+
"input": "CN(C)c1cc(NC(=O)CNC(C)(C)C)c(O)c2c1CC1CC3C(N(C)C)C(=O)C(C(N)=O)=C(O)C3(O)C(=O)C1=C2O",
|
595 |
+
"output": "无"
|
596 |
+
},
|
597 |
+
{
|
598 |
+
"instruction": "这个分子的血脑屏障是多少?",
|
599 |
+
"input": "CN(C)[C@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(ccc(N)c4O)C[C@H]3C[C@@H]12",
|
600 |
+
"output": "无"
|
601 |
+
},
|
602 |
+
{
|
603 |
+
"instruction": "你能给我这个分子的BBB吗?",
|
604 |
+
"input": "CN(C)[C@H]1C(=O)C(C(N)=O)=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)cccc4[C@@](C)(O)[C@@H]3[C@H](O)[C@@H]12",
|
605 |
+
"output": "有"
|
606 |
+
},
|
607 |
+
{
|
608 |
+
"instruction": "请提供该分子的血脑屏障值。",
|
609 |
+
"input": "CN(C)Cc1ccc(SCCNc2[nH]ccc2[N+](=O)[O-])o1",
|
610 |
+
"output": "无"
|
611 |
+
},
|
612 |
+
{
|
613 |
+
"instruction": "我想知道这个分子的BBB,你能提供吗?",
|
614 |
+
"input": "CN(C)C[C@@H](CN1c2ccccc2Sc2ccccc21)N(C)C",
|
615 |
+
"output": "有"
|
616 |
+
},
|
617 |
+
{
|
618 |
+
"instruction": "请提供该分子的血脑屏障。",
|
619 |
+
"input": "CN(C)CCOC(c1ccccc1)c1ccccc1",
|
620 |
+
"output": "有"
|
621 |
+
},
|
622 |
+
{
|
623 |
+
"instruction": "请提供该分子的BBB。",
|
624 |
+
"input": "CN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1",
|
625 |
+
"output": "无"
|
626 |
+
},
|
627 |
+
{
|
628 |
+
"instruction": "请提供该分子的血脑屏障。",
|
629 |
+
"input": "CN(C)CCN(c1ccc(Cl)cc1)c1ccccn1",
|
630 |
+
"output": "有"
|
631 |
+
},
|
632 |
+
{
|
633 |
+
"instruction": "我需要知道这个分子的BBB,你能提供吗?",
|
634 |
+
"input": "CN(C)CCN(Cc1cccs1)c1ccccn1",
|
635 |
+
"output": "有"
|
636 |
+
},
|
637 |
+
{
|
638 |
+
"instruction": "我对这个分子的血脑屏障很感兴趣,你能告诉我它是什么吗?",
|
639 |
+
"input": "CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21",
|
640 |
+
"output": "有"
|
641 |
+
},
|
642 |
+
{
|
643 |
+
"instruction": "请提供该分子的BBB。",
|
644 |
+
"input": "CN(C)CCCN1c2ccccc2CC(=O)c2ccccc21",
|
645 |
+
"output": "有"
|
646 |
+
},
|
647 |
+
{
|
648 |
+
"instruction": "这个分子的血脑屏障是多少?",
|
649 |
+
"input": "CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)c4c(ccc(N)c4O)CC3CC12",
|
650 |
+
"output": "无"
|
651 |
+
},
|
652 |
+
{
|
653 |
+
"instruction": "请给我提供这个分子的血脑屏障值。",
|
654 |
+
"input": "CN(C)C(=O)OC1N=C(c2ccccc2)c2cc(Cl)ccc2N(C)C1=O",
|
655 |
+
"output": "有"
|
656 |
+
},
|
657 |
+
{
|
658 |
+
"instruction": "我需要知道这个分子的BBB,你能提供吗?",
|
659 |
+
"input": "CN(C(=O)Cc1cccc2sccc12)[C@@H]1CCCC[C@H]1N1CCCC1",
|
660 |
+
"output": "有"
|
661 |
+
},
|
662 |
+
{
|
663 |
+
"instruction": "请提供该分子的血脑屏障。",
|
664 |
+
"input": "CCc1c(C)nn(CC(=O)NC[C@H]2CCCN(c3ccccn3)C2)c1C",
|
665 |
+
"output": "有"
|
666 |
+
},
|
667 |
+
{
|
668 |
+
"instruction": "这个分子的BBB是多少?",
|
669 |
+
"input": "CC[C@](C)(O)[C@@H]1[C@H]2[C@@H]3C[C@@]34[C@@H]3Cc5ccc(OC)c6c5[C@@]4(CCN3CC3CC3)[C@@H](O6)[C@]21OC",
|
670 |
+
"output": "有"
|
671 |
+
},
|
672 |
+
{
|
673 |
+
"instruction": "你能给我这个分子的BBB吗?",
|
674 |
+
"input": "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@@H](N(C)C)[C@@H]2O)[C@](C)(OC)C[C@H](C)C(=O)[C@H](C)[C@H](O)[C@@]1(C)O",
|
675 |
+
"output": "无"
|
676 |
+
},
|
677 |
+
{
|
678 |
+
"instruction": "我对这个分子的BBB很感兴趣,你能告诉我它是多少吗?",
|
679 |
+
"input": "CC[C@H](C)Nc1ccc(I)c(N[C@@H](C)CC)c1",
|
680 |
+
"output": "有"
|
681 |
+
},
|
682 |
+
{
|
683 |
+
"instruction": "这个分子的血脑屏障是多少?",
|
684 |
+
"input": "CC[C@@]1(c2ccccc2)C(=O)NC(=O)N(C(=O)c2ccccc2)C1=O",
|
685 |
+
"output": "有"
|
686 |
+
},
|
687 |
+
{
|
688 |
+
"instruction": "请提供该分子的血脑屏障。",
|
689 |
+
"input": "CCOC1CCN(C(=O)c2cc(-c3ccccc3)c(=O)n3c2-c2cc(Cl)ccc2CC3)C1",
|
690 |
+
"output": "有"
|
691 |
+
},
|
692 |
+
{
|
693 |
+
"instruction": "这个分子的BBB是多少?",
|
694 |
+
"input": "CCOC(=O)c1cncn1C(C)c1ccccc1",
|
695 |
+
"output": "有"
|
696 |
+
},
|
697 |
+
{
|
698 |
+
"instruction": "请给我这个分子的血脑屏障。",
|
699 |
+
"input": "CCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3c(c2c1)N(Cc1ccccc1)CCC3",
|
700 |
+
"output": "有"
|
701 |
+
},
|
702 |
+
{
|
703 |
+
"instruction": "你能给我这个分子的血脑屏障吗?",
|
704 |
+
"input": "CCOC(=O)Cc1cc2c(c(N)n1)N=C(c1ccccc1)C(C)N2",
|
705 |
+
"output": "有"
|
706 |
+
},
|
707 |
+
{
|
708 |
+
"instruction": "你能给我这个分子的血脑屏障吗?",
|
709 |
+
"input": "CCOC(=O)C[C@H](O)C[C@H](O)/C=C/C1=C(c2ccc(F)cc2)c2ccccc2OC12CCCC2",
|
710 |
+
"output": "有"
|
711 |
+
},
|
712 |
+
{
|
713 |
+
"instruction": "这个分子的血脑屏障是多少?",
|
714 |
+
"input": "CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1Cc2cc(OC)c(OC)cc2CC1C(=O)O",
|
715 |
+
"output": "无"
|
716 |
+
},
|
717 |
+
{
|
718 |
+
"instruction": "请给我这个分子的血脑屏障。",
|
719 |
+
"input": "CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1CC2(CC1C(=O)O)SCCS2",
|
720 |
+
"output": "无"
|
721 |
+
},
|
722 |
+
{
|
723 |
+
"instruction": "我想知道这个分子的BBB,你能提供吗?",
|
724 |
+
"input": "CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1C(C(=O)O)CC2CCCC21",
|
725 |
+
"output": "无"
|
726 |
+
},
|
727 |
+
{
|
728 |
+
"instruction": "这个分子的BBB是多少?",
|
729 |
+
"input": "CCNC1CC(C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21",
|
730 |
+
"output": "无"
|
731 |
+
},
|
732 |
+
{
|
733 |
+
"instruction": "这个分子的BBB是多少?",
|
734 |
+
"input": "CCNC1(c2ccccc2)CCCCC1",
|
735 |
+
"output": "有"
|
736 |
+
},
|
737 |
+
{
|
738 |
+
"instruction": "我需要知道这个分子的BBB,你能提供吗?",
|
739 |
+
"input": "CCN=C1Nc2ccc(Cl)cc2[C@@H](c2ccccc2)S1",
|
740 |
+
"output": "有"
|
741 |
+
},
|
742 |
+
{
|
743 |
+
"instruction": "这个分子的BBB是多少?",
|
744 |
+
"input": "CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)[C@@H](C)Cc1ccc(OC)cc1",
|
745 |
+
"output": "有"
|
746 |
+
},
|
747 |
+
{
|
748 |
+
"instruction": "这个分���的BBB是多少?",
|
749 |
+
"input": "CCN(CC)CCn1cnc2c1c(=O)n(C)c(=O)n2C",
|
750 |
+
"output": "有"
|
751 |
+
},
|
752 |
+
{
|
753 |
+
"instruction": "我想知道这个分子的BBB,你能提供吗?",
|
754 |
+
"input": "CCN(CC)CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)C=C[C@]4(C)C3[C@@H](O)C[C@@]21C",
|
755 |
+
"output": "有"
|
756 |
+
},
|
757 |
+
{
|
758 |
+
"instruction": "请提供该分子的BBB。",
|
759 |
+
"input": "CCN(CC)C(=O)N[C@H]1CC2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1",
|
760 |
+
"output": "有"
|
761 |
+
},
|
762 |
+
{
|
763 |
+
"instruction": "你能告诉我这个分子的BBB值吗?",
|
764 |
+
"input": "CCN(CC)/C(C)=N/N=C/c1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(O/C=C/[C@H](OC)[C@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O4",
|
765 |
+
"output": "无"
|
766 |
+
},
|
767 |
+
{
|
768 |
+
"instruction": "请给我提供这个分子的BBB值。",
|
769 |
+
"input": "CCC[C@@](C)(O)[C@H]1CC23C=CC1(OC)[C@H]1Oc4c(OC(C)=O)ccc5c4C12CCN(C)C3C5",
|
770 |
+
"output": "有"
|
771 |
+
},
|
772 |
+
{
|
773 |
+
"instruction": "请提供该分子的BBB值。",
|
774 |
+
"input": "CCC[C@@H]1O[C@@H]2C[C@@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1",
|
775 |
+
"output": "有"
|
776 |
+
},
|
777 |
+
{
|
778 |
+
"instruction": "这个分子的BBB是多少?",
|
779 |
+
"input": "CCC[C@@H]1C[C@H](C(=O)N[C@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](C)Cl)N(C)C1",
|
780 |
+
"output": "有"
|
781 |
+
},
|
782 |
+
{
|
783 |
+
"instruction": "这个分子的血脑屏障是多少?",
|
784 |
+
"input": "CCC[C@@H]1C[C@@H](C(=O)N[C@@H]([C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)[C@H](C)Cl)N(C)C1",
|
785 |
+
"output": "无"
|
786 |
+
},
|
787 |
+
{
|
788 |
+
"instruction": "你能告诉我这个分子的血脑屏障值吗?",
|
789 |
+
"input": "CCCNC(=O)c1ccc2c(c1)N(CCN1CCCC1)c1ccccc1S2",
|
790 |
+
"output": "有"
|
791 |
+
},
|
792 |
+
{
|
793 |
+
"instruction": "请提供该分子的血脑屏障。",
|
794 |
+
"input": "CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21",
|
795 |
+
"output": "有"
|
796 |
+
},
|
797 |
+
{
|
798 |
+
"instruction": "请给我这个分子的血脑屏障。",
|
799 |
+
"input": "CCCN(CCC)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12",
|
800 |
+
"output": "有"
|
801 |
+
},
|
802 |
+
{
|
803 |
+
"instruction": "请提供该分子的血脑屏障。",
|
804 |
+
"input": "CCCCn1c(=O)c2c(ncn2CC(C)=O)n(CCCC)c1=O",
|
805 |
+
"output": "有"
|
806 |
+
},
|
807 |
+
{
|
808 |
+
"instruction": "我想知道这个分子的BBB,你能提供吗?",
|
809 |
+
"input": "CCCCN1C2CC[C@@H]1C[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2",
|
810 |
+
"output": "有"
|
811 |
+
},
|
812 |
+
{
|
813 |
+
"instruction": "我想知道这个分子的血脑屏障,你能提供吗?",
|
814 |
+
"input": "CCCC(NC(C)C(=O)N1C(C(=O)O)CC2CCCCC21)C(=O)OCC",
|
815 |
+
"output": "无"
|
816 |
+
},
|
817 |
+
{
|
818 |
+
"instruction": "请提供该分子的BBB。",
|
819 |
+
"input": "CCCC(C)(O)C1CC23C=CC1(OC)[C@H]1Oc4c(OC(C)=O)ccc5c4C12CCN(C)C3C5",
|
820 |
+
"output": "有"
|
821 |
+
},
|
822 |
+
{
|
823 |
+
"instruction": "请提供该分子的BBB。",
|
824 |
+
"input": "CCCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2C3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C",
|
825 |
+
"output": "有"
|
826 |
+
},
|
827 |
+
{
|
828 |
+
"instruction": "你能告诉我这个分子的BBB吗?",
|
829 |
+
"input": "CCCC(=O)O[C@@]1(C(C)=O)CCC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@@H]3[C@@H](O)C[C@]21C",
|
830 |
+
"output": "有"
|
831 |
+
},
|
832 |
+
{
|
833 |
+
"instruction": "请提供该分子的血脑屏障。",
|
834 |
+
"input": "CCCC(=O)OC1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CCC4(C)[C@H]3[C@@H](O)CC21C",
|
835 |
+
"output": "有"
|
836 |
+
},
|
837 |
+
{
|
838 |
+
"instruction": "你能给我这个分子的血脑屏障吗?",
|
839 |
+
"input": "CCCC(=O)OC1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4(C)[C@H]3[C@@H](O)CC21C",
|
840 |
+
"output": "有"
|
841 |
+
},
|
842 |
+
{
|
843 |
+
"instruction": "请提供该分子的血脑屏障。",
|
844 |
+
"input": "CCCC(=O)N(C)Cc1c(-c2ccc(Cl)cc2)nc2ccccn12",
|
845 |
+
"output": "有"
|
846 |
+
},
|
847 |
+
{
|
848 |
+
"instruction": "请给我提供这个分子的血脑屏障值。",
|
849 |
+
"input": "CCC1OC(=O)CC(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(CC=O)CC(C)C(=O)C=CC2(C)OC2C1C",
|
850 |
+
"output": "无"
|
851 |
+
},
|
852 |
+
{
|
853 |
+
"instruction": "这个分子的BBB是多少?",
|
854 |
+
"input": "CCC1C(=O)NC(=O)C1(C)c1ccccc1",
|
855 |
+
"output": "有"
|
856 |
+
},
|
857 |
+
{
|
858 |
+
"instruction": "我想知道这个分子的BBB,你能提供吗?",
|
859 |
+
"input": "CCC1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@@H]3C(O)(C(=O)OC)[C@@H](OC(C)=O)C5(CC)C=CCN6CCC43[C@H]65)C2)C1",
|
860 |
+
"output": "无"
|
861 |
+
},
|
862 |
+
{
|
863 |
+
"instruction": "这个分子的血脑屏障是多少?",
|
864 |
+
"input": "CCC(O)(CC(N)=O)c1ccccc1",
|
865 |
+
"output": "有"
|
866 |
+
},
|
867 |
+
{
|
868 |
+
"instruction": "请提供该分子的血脑屏障。",
|
869 |
+
"input": "CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O",
|
870 |
+
"output": "有"
|
871 |
+
},
|
872 |
+
{
|
873 |
+
"instruction": "请给我这个分子的BBB。",
|
874 |
+
"input": "CCC(C)(C)OC",
|
875 |
+
"output": "有"
|
876 |
+
},
|
877 |
+
{
|
878 |
+
"instruction": "请提供该分子的血脑屏障。",
|
879 |
+
"input": "CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@@H](C)[C@H](CC[C@@H]3C[C@H](O)CC(=O)O3)[C@H]21",
|
880 |
+
"output": "有"
|
881 |
+
},
|
882 |
+
{
|
883 |
+
"instruction": "我对这个分子的BBB很感兴趣,你能告诉我它是什么吗?",
|
884 |
+
"input": "CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C",
|
885 |
+
"output": "有"
|
886 |
+
},
|
887 |
+
{
|
888 |
+
"instruction": "请提供该分子��BBB。",
|
889 |
+
"input": "CCC(=O)OCC(=O)C1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=CC4(C)C3(F)[C@@H](O)CC21C",
|
890 |
+
"output": "有"
|
891 |
+
},
|
892 |
+
{
|
893 |
+
"instruction": "这个分子的血脑屏障是多少?",
|
894 |
+
"input": "CCC(=O)OC1C(OC2C(C)C(OC3CC(C)(OC)C(O)C(C)O3)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC2(C)O)OC(C)CC1N(C)C",
|
895 |
+
"output": "无"
|
896 |
+
},
|
897 |
+
{
|
898 |
+
"instruction": "请给我提供这个分子的BBB值。",
|
899 |
+
"input": "CCC(=O)OC1(C(=O)SC)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC21C",
|
900 |
+
"output": "有"
|
901 |
+
},
|
902 |
+
{
|
903 |
+
"instruction": "请提供该分子的血脑屏障。",
|
904 |
+
"input": "CC=C(CC)C(=O)NC(N)=O",
|
905 |
+
"output": "有"
|
906 |
+
},
|
907 |
+
{
|
908 |
+
"instruction": "这个分子的血脑屏障是多少?",
|
909 |
+
"input": "CC1NC(=O)C2(CCCC2)NC1=O",
|
910 |
+
"output": "有"
|
911 |
+
},
|
912 |
+
{
|
913 |
+
"instruction": "我对这个分子的BBB很感兴趣,你能告诉我它是什么吗?",
|
914 |
+
"input": "CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(C)C(=O)CO",
|
915 |
+
"output": "有"
|
916 |
+
},
|
917 |
+
{
|
918 |
+
"instruction": "请提供该分子的BBB。",
|
919 |
+
"input": "CC1=CC[C@@H]2C3Cc4ccc(O)c5c4C2(CN3C)[C@H]1O5",
|
920 |
+
"output": "有"
|
921 |
+
},
|
922 |
+
{
|
923 |
+
"instruction": "这个分子的血脑屏障是多少?",
|
924 |
+
"input": "CC1=CC2Cc3nc4cc(Cl)ccc4c(NCCCCCCCNc4c5c(nc6ccccc46)CCCC5)c3C(C1)C2",
|
925 |
+
"output": "有"
|
926 |
+
},
|
927 |
+
{
|
928 |
+
"instruction": "你能给我这个分子的血脑屏障?",
|
929 |
+
"input": "CC12C=CC(=O)C=C1[C@@H](Cl)C[C@@H]1[C@@H]2C(=O)CC2(C)[C@H]1CCC2(O)C(=O)CO",
|
930 |
+
"output": "有"
|
931 |
+
},
|
932 |
+
{
|
933 |
+
"instruction": "请提供该分子的BBB。",
|
934 |
+
"input": "CC1(c2ccccc2)CC(=O)N(CN2CCOCC2)C1=O",
|
935 |
+
"output": "有"
|
936 |
+
},
|
937 |
+
{
|
938 |
+
"instruction": "这个分子的BBB是多少?",
|
939 |
+
"input": "CC1(C)S[C@H]2[C@@H](N3C(=O)[C@H](c4ccccc4)NC3(C)C)C(=O)N2[C@H]1C(=O)O",
|
940 |
+
"output": "无"
|
941 |
+
},
|
942 |
+
{
|
943 |
+
"instruction": "你能告诉我这个分子的血脑屏障吗?",
|
944 |
+
"input": "CC1(C)S[C@H]2C(NC(=O)C34C[C@@H]5C[C@H](CC(N)(C5)C3)C4)C(=O)N2[C@H]1C(=O)O",
|
945 |
+
"output": "无"
|
946 |
+
},
|
947 |
+
{
|
948 |
+
"instruction": "这个分子的BBB是多少?",
|
949 |
+
"input": "CC1(C)S[C@H]2C(N3C(=O)[C@H](c4ccc(O)cc4)NC3(C)C)C(=O)N2[C@H]1C(=O)O",
|
950 |
+
"output": "无"
|
951 |
+
},
|
952 |
+
{
|
953 |
+
"instruction": "我对这个分子的BBB很感兴趣,你能告诉我它是多少吗?",
|
954 |
+
"input": "CC1(C)S[C@@H]2[C@H](N3C(=O)[C@@H](c4ccc(O)cc4)NC3(C)C)C(=O)N2[C@H]1C(=O)O",
|
955 |
+
"output": "无"
|
956 |
+
},
|
957 |
+
{
|
958 |
+
"instruction": "请提供该分子的BBB值。",
|
959 |
+
"input": "CC1(C)S[C@@H]2[C@@H](NC(=O)[C@H](C(=O)O)c3ccsc3)C(=O)N2[C@@H]1C(=O)O",
|
960 |
+
"output": "无"
|
961 |
+
},
|
962 |
+
{
|
963 |
+
"instruction": "你能给我这个分子的血脑屏障吗?",
|
964 |
+
"input": "CC1(C)SC2C(NC(=O)C(Oc3ccccc3)c3ccccc3)C(=O)C2C1C(=O)O",
|
965 |
+
"output": "无"
|
966 |
+
},
|
967 |
+
{
|
968 |
+
"instruction": "我想知道这个分子的BBB,你能提供吗?",
|
969 |
+
"input": "CC1(C)O[C@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(C(=O)COC(=O)C2CC2)O1",
|
970 |
+
"output": "有"
|
971 |
+
},
|
972 |
+
{
|
973 |
+
"instruction": "我想知道这个分子的BBB,你能提供吗?",
|
974 |
+
"input": "CC1(C)O[C@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(C(=O)CO)O1",
|
975 |
+
"output": "有"
|
976 |
+
},
|
977 |
+
{
|
978 |
+
"instruction": "这个分子的BBB是多少?",
|
979 |
+
"input": "CC1(C)O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)C=CC5(C)[C@@]4(Cl)C(Cl)CC3(C)[C@]2(C(=O)CO)O1",
|
980 |
+
"output": "有"
|
981 |
+
},
|
982 |
+
{
|
983 |
+
"instruction": "你能告诉我这个分子的血脑屏障吗?",
|
984 |
+
"input": "CC1(C)OC2COC3(COS(N)(=O)=O)OC(C)(C)OC3C2O1",
|
985 |
+
"output": "有"
|
986 |
+
},
|
987 |
+
{
|
988 |
+
"instruction": "我对这个分子的血脑屏障很感兴趣,你能告诉我它是什么吗?",
|
989 |
+
"input": "CC(O)Cn1cnc2c1c(=O)n(C)c(=O)n2C",
|
990 |
+
"output": "有"
|
991 |
+
},
|
992 |
+
{
|
993 |
+
"instruction": "你能告诉我这个分子BBB吗?",
|
994 |
+
"input": "CC(NN)c1ccccc1",
|
995 |
+
"output": "有"
|
996 |
+
},
|
997 |
+
{
|
998 |
+
"instruction": "我想知道这个分子的血脑屏障,你能提供吗?",
|
999 |
+
"input": "CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1C=CC(O)CC(O)CC(=O)O",
|
1000 |
+
"output": "无"
|
1001 |
+
},
|
1002 |
+
{
|
1003 |
+
"instruction": "这个分子的血脑屏障是多少?",
|
1004 |
+
"input": "CC(C)[N+](C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C",
|
1005 |
+
"output": "无"
|
1006 |
+
},
|
1007 |
+
{
|
1008 |
+
"instruction": "你能给我这个分子的血脑屏障吗?",
|
1009 |
+
"input": "CC(C)Oc1cccc(CC(=O)N2CCC[C@](CC[N+]34CCC(c5ccccc5)(CC3)CC4)(c3ccc(Cl)c(Cl)c3)C2)c1",
|
1010 |
+
"output": "有"
|
1011 |
+
},
|
1012 |
+
{
|
1013 |
+
"instruction": "请给我提供这个分子的BBB。",
|
1014 |
+
"input": "CC(C)N1CCOC(c2cccc(C(F)(F)F)c2)C1",
|
1015 |
+
"output": "有"
|
1016 |
+
},
|
1017 |
+
{
|
1018 |
+
"instruction": "你能给我这个分子的血脑屏障?",
|
1019 |
+
"input": "CC(C)COC[C@@H](CN(Cc1ccccc1)c1ccccc1)N1CCCC1",
|
1020 |
+
"output": "无"
|
1021 |
+
},
|
1022 |
+
{
|
1023 |
+
"instruction": "你能告诉我这个分子BBB吗?",
|
1024 |
+
"input": "CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O)c1ccccc1",
|
1025 |
+
"output": "无"
|
1026 |
+
},
|
1027 |
+
{
|
1028 |
+
"instruction": "我需要知道这个分子的BBB,你能提供吗?",
|
1029 |
+
"input": "CC(C)(C)OC(=O)CCCc1ccc(N(CCCl)CCCl)cc1",
|
1030 |
+
"output": "有"
|
1031 |
+
},
|
1032 |
+
{
|
1033 |
+
"instruction": "请提供该分子的BBB。",
|
1034 |
+
"input": "CC(C)(C)O",
|
1035 |
+
"output": "有"
|
1036 |
+
},
|
1037 |
+
{
|
1038 |
+
"instruction": "请提供该分子的血脑屏障。",
|
1039 |
+
"input": "CC(C)(C)NC[C@H](O)c1ccc(O)c(NC(N)=O)c1",
|
1040 |
+
"output": "无"
|
1041 |
+
},
|
1042 |
+
{
|
1043 |
+
"instruction": "这个分子的BBB是多少?",
|
1044 |
+
"input": "CC(C)(C)NCC(O)c1cc(Br)no1",
|
1045 |
+
"output": "无"
|
1046 |
+
},
|
1047 |
+
{
|
1048 |
+
"instruction": "这个分子的BBB是多少?",
|
1049 |
+
"input": "CC(C)(C)NC(=O)[C@H]1C[C@H]2CCCC[C@H]2CN1C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1",
|
1050 |
+
"output": "无"
|
1051 |
+
},
|
1052 |
+
{
|
1053 |
+
"instruction": "请提供该分子的血脑屏障。",
|
1054 |
+
"input": "CC(=O)c1ccc2c(c1)Sc1ccccc1N2CCCN1CCN(CCO)CC1",
|
1055 |
+
"output": "有"
|
1056 |
+
},
|
1057 |
+
{
|
1058 |
+
"instruction": "请提供该分子的血脑屏障。",
|
1059 |
+
"input": "CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@@]21C",
|
1060 |
+
"output": "有"
|
1061 |
+
},
|
1062 |
+
{
|
1063 |
+
"instruction": "这个分子的BBB是多少?",
|
1064 |
+
"input": "CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1",
|
1065 |
+
"output": "无"
|
1066 |
+
},
|
1067 |
+
{
|
1068 |
+
"instruction": "这个分子的BBB是多少?",
|
1069 |
+
"input": "CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H](N3CC[N+](C)(C)CC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CC[N+](C)(C)CC1",
|
1070 |
+
"output": "无"
|
1071 |
+
},
|
1072 |
+
{
|
1073 |
+
"instruction": "这个分子的血脑屏障是多少?",
|
1074 |
+
"input": "CC(=O)O[C@@H]1C[C@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@]12CO2",
|
1075 |
+
"output": "有"
|
1076 |
+
},
|
1077 |
+
{
|
1078 |
+
"instruction": "请提供该分子的BBB。",
|
1079 |
+
"input": "CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1",
|
1080 |
+
"output": "有"
|
1081 |
+
},
|
1082 |
+
{
|
1083 |
+
"instruction": "你能给我这个分子的血脑屏障?",
|
1084 |
+
"input": "CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)(C)OC(C)=O)[C@@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1",
|
1085 |
+
"output": "有"
|
1086 |
+
},
|
1087 |
+
{
|
1088 |
+
"instruction": "这个分子的血脑屏障是多少?",
|
1089 |
+
"input": "CC(=O)OCC/C(SC(C)=O)=C(\\C)N(C=O)Cc1cnc(C)nc1N",
|
1090 |
+
"output": "有"
|
1091 |
+
},
|
1092 |
+
{
|
1093 |
+
"instruction": "请给我提供这个分子的BBB。",
|
1094 |
+
"input": "CC(=O)OCC(=O)[C@]1(OC(=O)C(C)C)[C@H](C)C[C@H]2[C@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@@]3(F)[C@H](O)C[C@]21C",
|
1095 |
+
"output": "有"
|
1096 |
+
},
|
1097 |
+
{
|
1098 |
+
"instruction": "我想知道这个分子的BBB,你能提供吗?",
|
1099 |
+
"input": "CC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C",
|
1100 |
+
"output": "有"
|
1101 |
+
},
|
1102 |
+
{
|
1103 |
+
"instruction": "请提供该分子的BBB。",
|
1104 |
+
"input": "CC(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC(Br)C2(Br)C1",
|
1105 |
+
"output": "有"
|
1106 |
+
},
|
1107 |
+
{
|
1108 |
+
"instruction": "这个分子的血脑屏障是多少?",
|
1109 |
+
"input": "CC(=O)OC1CC2(C)[C@H](C[C@H](O)[C@H]3C4(C)CC[C@H](O)[C@@H](C)[C@@H]4CCC32C)/C1=C(\\CCC=C(C)C)C(=O)O",
|
1110 |
+
"output": "无"
|
1111 |
+
},
|
1112 |
+
{
|
1113 |
+
"instruction": "请提供该分子的BBB。",
|
1114 |
+
"input": "CC(=O)N1CCN(c2ccc(OCC3CO[C@@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1",
|
1115 |
+
"output": "有"
|
1116 |
+
},
|
1117 |
+
{
|
1118 |
+
"instruction": "请提供该分子的血脑屏障。",
|
1119 |
+
"input": "CC(=O)N1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)[C@@H](CN2CC[C@H](O)C2)C1",
|
1120 |
+
"output": "无"
|
1121 |
+
},
|
1122 |
+
{
|
1123 |
+
"instruction": "你能给我这个分子的血脑屏障吗?",
|
1124 |
+
"input": "CC(=O)CC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@]3(Cl)[C@@H](Cl)C[C@@]21C",
|
1125 |
+
"output": "有"
|
1126 |
+
},
|
1127 |
+
{
|
1128 |
+
"instruction": "这个分子的血脑屏障是多少?",
|
1129 |
+
"input": "CC(=O)C1(N)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](O)[C@@H](O)CO2)C1)C(=O)c1ccccc1C3=O",
|
1130 |
+
"output": "无"
|
1131 |
+
},
|
1132 |
+
{
|
1133 |
+
"instruction": "我想知道这个分子的BBB,你能提供吗?",
|
1134 |
+
"input": "CC(=C1CCOC(=O)S1)N(C=O)Cc1cnc(C)nc1N",
|
1135 |
+
"output": "有"
|
1136 |
+
},
|
1137 |
+
{
|
1138 |
+
"instruction": "你能告诉我这个分子的BBB吗?",
|
1139 |
+
"input": "C=C[C@@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12",
|
1140 |
+
"output": "有"
|
1141 |
+
},
|
1142 |
+
{
|
1143 |
+
"instruction": "你能告诉我这个分子血脑屏障吗?",
|
1144 |
+
"input": "C=CC[C@@]1([C@@H](C)CCC)C(=C)NC(O)=NC1=O",
|
1145 |
+
"output": "有"
|
1146 |
+
},
|
1147 |
+
{
|
1148 |
+
"instruction": "请提供该分子的血脑屏障。",
|
1149 |
+
"input": "C=CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(=NOCC(=O)O)c3csc(N)n3)C2SC1",
|
1150 |
+
"output": "无"
|
1151 |
+
},
|
1152 |
+
{
|
1153 |
+
"instruction": "请给我提供这个分子的BBB。",
|
1154 |
+
"input": "C=C1C[C@H]2[C@@H]3CCC4=CC(=O)C=CC4(C)C3(F)[C@@H](O)CC2(C)C1(O)C(=O)CO",
|
1155 |
+
"output": "有"
|
1156 |
+
},
|
1157 |
+
{
|
1158 |
+
"instruction": "这个分子的BBB是多少?",
|
1159 |
+
"input": "C=C1C(=O)OC2C1CCC1(C)OC13CC=C(C)C23",
|
1160 |
+
"output": "无"
|
1161 |
+
},
|
1162 |
+
{
|
1163 |
+
"instruction": "这个分子的血脑屏障是多少?",
|
1164 |
+
"input": "C/C(=C\\C(N)C(=O)O)CP(=O)(O)O",
|
1165 |
+
"output": "有"
|
1166 |
+
},
|
1167 |
+
{
|
1168 |
+
"instruction": "我想知道这个分子的血脑屏障,你能提供吗?",
|
1169 |
+
"input": "C",
|
1170 |
+
"output": "有"
|
1171 |
+
},
|
1172 |
+
{
|
1173 |
+
"instruction": "这个分子的BBB是多少?",
|
1174 |
+
"input": "Brc1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)o2)cc1",
|
1175 |
+
"output": "有"
|
1176 |
+
},
|
1177 |
+
{
|
1178 |
+
"instruction": "请给我提供这个分子的AMES值。",
|
1179 |
+
"input": "c1ccc(C2NC2c2ccccc2)cc1",
|
1180 |
+
"output": "有"
|
1181 |
+
},
|
1182 |
+
{
|
1183 |
+
"instruction": "请给我提供这个分���的毒性。",
|
1184 |
+
"input": "c1ccc(-c2ccccn2)nc1",
|
1185 |
+
"output": "有"
|
1186 |
+
},
|
1187 |
+
{
|
1188 |
+
"instruction": "请提供该分子的毒性。",
|
1189 |
+
"input": "c1ccc(-c2ccccc2OCC2CO2)cc1",
|
1190 |
+
"output": "有"
|
1191 |
+
},
|
1192 |
+
{
|
1193 |
+
"instruction": "这个分子的毒性是多少?",
|
1194 |
+
"input": "c1cc[n+]2c(c1)-c1cccc[n+]1CC2",
|
1195 |
+
"output": "无"
|
1196 |
+
},
|
1197 |
+
{
|
1198 |
+
"instruction": "请提供该分子的AMES。",
|
1199 |
+
"input": "[O-][n+]1cccc2ccccc21",
|
1200 |
+
"output": "无"
|
1201 |
+
},
|
1202 |
+
{
|
1203 |
+
"instruction": "请提供该分子的AMES。",
|
1204 |
+
"input": "[O-][Cl+]O",
|
1205 |
+
"output": "有"
|
1206 |
+
},
|
1207 |
+
{
|
1208 |
+
"instruction": "这个分子的致突变性是多少?",
|
1209 |
+
"input": "[O-][Cl+3]([O-])([O-])[O-]",
|
1210 |
+
"output": "无"
|
1211 |
+
},
|
1212 |
+
{
|
1213 |
+
"instruction": "这个分子的AMES是多少?",
|
1214 |
+
"input": "[N-]=[N+]=NCc1ccccc1",
|
1215 |
+
"output": "有"
|
1216 |
+
},
|
1217 |
+
{
|
1218 |
+
"instruction": "我想知道这个分子的AMES,你能提供吗?",
|
1219 |
+
"input": "[N-]=[N+]=NCC1OC(O)C(O)C(O)C1O",
|
1220 |
+
"output": "有"
|
1221 |
+
},
|
1222 |
+
{
|
1223 |
+
"instruction": "这个分子的致突变性是多少?",
|
1224 |
+
"input": "Oc1cnnc(O)n1",
|
1225 |
+
"output": "有"
|
1226 |
+
},
|
1227 |
+
{
|
1228 |
+
"instruction": "请提供该分子的致突变性值。",
|
1229 |
+
"input": "Oc1cccc(Cl)c1",
|
1230 |
+
"output": "无"
|
1231 |
+
},
|
1232 |
+
{
|
1233 |
+
"instruction": "我对这个分子的致突变性很感兴趣,你能告诉我它是多少吗?",
|
1234 |
+
"input": "Oc1ccc2ncccc2c1",
|
1235 |
+
"output": "无"
|
1236 |
+
},
|
1237 |
+
{
|
1238 |
+
"instruction": "请提供该分子的AMES。",
|
1239 |
+
"input": "Oc1ccc2[nH]ccc2c1",
|
1240 |
+
"output": "无"
|
1241 |
+
},
|
1242 |
+
{
|
1243 |
+
"instruction": "这个分子的毒性是多少?",
|
1244 |
+
"input": "Oc1cc(O)ncn1",
|
1245 |
+
"output": "无"
|
1246 |
+
},
|
1247 |
+
{
|
1248 |
+
"instruction": "我想知道这个分子的致突变性,你能提供吗?",
|
1249 |
+
"input": "Oc1cc(O)c2cc(O)c(-c3cc(O)c(O)c(O)c3)[o+]c2c1",
|
1250 |
+
"output": "无"
|
1251 |
+
},
|
1252 |
+
{
|
1253 |
+
"instruction": "我想知道这个分子的毒性,你能提供吗?",
|
1254 |
+
"input": "Oc1cc(Cl)c(Cl)c(Cl)c1",
|
1255 |
+
"output": "无"
|
1256 |
+
},
|
1257 |
+
{
|
1258 |
+
"instruction": "请给我提供这个分子的致突变性。",
|
1259 |
+
"input": "Oc1c(Cl)cccc1Cl",
|
1260 |
+
"output": "无"
|
1261 |
+
},
|
1262 |
+
{
|
1263 |
+
"instruction": "我想知道这个分子的毒性,你能提供吗?",
|
1264 |
+
"input": "ONc1ccccc1",
|
1265 |
+
"output": "有"
|
1266 |
+
},
|
1267 |
+
{
|
1268 |
+
"instruction": "这个分子的AMES是多少?",
|
1269 |
+
"input": "OCCOCCO",
|
1270 |
+
"output": "无"
|
1271 |
+
},
|
1272 |
+
{
|
1273 |
+
"instruction": "我想知道这个分子的致突变性,你能提供吗?",
|
1274 |
+
"input": "OCC1CCC(n2cnc3c(O)ncnc32)O1",
|
1275 |
+
"output": "有"
|
1276 |
+
},
|
1277 |
+
{
|
1278 |
+
"instruction": "请给我这个分子的AMES。",
|
1279 |
+
"input": "OC1c2ccccc2-c2cc3ccccc3c(Cl)c2C1O",
|
1280 |
+
"output": "无"
|
1281 |
+
},
|
1282 |
+
{
|
1283 |
+
"instruction": "请给我提供这个分子的AMES。",
|
1284 |
+
"input": "OC1c2ccc3c(c2C2OC2C1O)-c1cccc2cccc-3c12",
|
1285 |
+
"output": "有"
|
1286 |
+
},
|
1287 |
+
{
|
1288 |
+
"instruction": "我需要知道这个分子的致突变性,你能提供吗?",
|
1289 |
+
"input": "OC1C=Cc2cccnc2C1O",
|
1290 |
+
"output": "无"
|
1291 |
+
},
|
1292 |
+
{
|
1293 |
+
"instruction": "请提供该分子的毒性。",
|
1294 |
+
"input": "OC1C=Cc2c(ccc3cc4c(cc23)C(O)C(O)c2ccccc2-4)C1O",
|
1295 |
+
"output": "无"
|
1296 |
+
},
|
1297 |
+
{
|
1298 |
+
"instruction": "你能告诉我这个分子的毒性吗?",
|
1299 |
+
"input": "O=c1ccc2c([C@@H](O)CNCCc3ccc(CCN4CCC(Cn5cnc([C@](O)(c6ccccc6)C6CCCCC6)n5)CC4)cc3)ccc(O)c2[nH]1",
|
1300 |
+
"output": "无"
|
1301 |
+
},
|
1302 |
+
{
|
1303 |
+
"instruction": "你能给我这个分子的致突变性吗?",
|
1304 |
+
"input": "O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12",
|
1305 |
+
"output": "有"
|
1306 |
+
},
|
1307 |
+
{
|
1308 |
+
"instruction": "这个分子的AMES是多少?",
|
1309 |
+
"input": "O=c1[nH]c2ccc(F)cc2c(=O)n1-c1ccc(Cl)cc1Cl",
|
1310 |
+
"output": "无"
|
1311 |
+
},
|
1312 |
+
{
|
1313 |
+
"instruction": "这个分子的毒性是多少?",
|
1314 |
+
"input": "O=[NH+][O-]",
|
1315 |
+
"output": "有"
|
1316 |
+
},
|
1317 |
+
{
|
1318 |
+
"instruction": "我对这个分子的AMES很感兴趣,你能告诉我它是多少吗?",
|
1319 |
+
"input": "O=[N+]([O-])c1cccc2c1ccc1ccccc12",
|
1320 |
+
"output": "有"
|
1321 |
+
},
|
1322 |
+
{
|
1323 |
+
"instruction": "我对这个分子的AMES很感兴趣,你能告诉我它是什么吗?",
|
1324 |
+
"input": "O=[N+]([O-])c1cccc(O)c1[N+](=O)[O-]",
|
1325 |
+
"output": "有"
|
1326 |
+
},
|
1327 |
+
{
|
1328 |
+
"instruction": "请提供该分子的致突变性。",
|
1329 |
+
"input": "O=[N+]([O-])c1ccc2ccc3cccc4cc(O)c1c2c34",
|
1330 |
+
"output": "有"
|
1331 |
+
},
|
1332 |
+
{
|
1333 |
+
"instruction": "我想知道这个分子的毒性,你能提供吗?",
|
1334 |
+
"input": "O=[N+]([O-])c1ccc2ccc3c4c(cc5ccc1c2c53)[C@@H](O)[C@H](O)C=C4",
|
1335 |
+
"output": "有"
|
1336 |
+
},
|
1337 |
+
{
|
1338 |
+
"instruction": "我想知道这个分子的AMES,你能提供吗?",
|
1339 |
+
"input": "O=[N+]([O-])c1ccc2ccc3c(O)ccc4c5ccccc5c1c2c34",
|
1340 |
+
"output": "有"
|
1341 |
+
},
|
1342 |
+
{
|
1343 |
+
"instruction": "你能告诉我这个分子AMES吗?",
|
1344 |
+
"input": "O=[N+]([O-])c1ccc2c(c1)CCc1cc([N+](=O)[O-])ccc1-2",
|
1345 |
+
"output": "有"
|
1346 |
+
},
|
1347 |
+
{
|
1348 |
+
"instruction": "这个分子的AMES是多少?",
|
1349 |
+
"input": "O=[N+]([O-])c1ccc2c(Cl)nsc2c1",
|
1350 |
+
"output": "有"
|
1351 |
+
},
|
1352 |
+
{
|
1353 |
+
"instruction": "请提供该分子的毒性。",
|
1354 |
+
"input": "O=[N+]([O-])c1ccc([N+](=O)[O-])cc1",
|
1355 |
+
"output": "有"
|
1356 |
+
},
|
1357 |
+
{
|
1358 |
+
"instruction": "我想知道这个分子的毒性,你能提供吗?",
|
1359 |
+
"input": "O=[N+]([O-])c1ccc(Nc2ccc(O)cc2)c([N+](=O)[O-])c1",
|
1360 |
+
"output": "有"
|
1361 |
+
},
|
1362 |
+
{
|
1363 |
+
"instruction": "我想知道这个分子的致突变性,你能提供吗?",
|
1364 |
+
"input": "O=[N+]([O-])c1ccc(NCCO)c(OCCO)c1",
|
1365 |
+
"output": "有"
|
1366 |
+
},
|
1367 |
+
{
|
1368 |
+
"instruction": "你能告诉我这个分子的致突变性吗?",
|
1369 |
+
"input": "O=[N+]([O-])c1ccc(N=Nc2ccccc2)cc1",
|
1370 |
+
"output": "有"
|
1371 |
+
},
|
1372 |
+
{
|
1373 |
+
"instruction": "你能告诉我这个分子的AMES值吗?",
|
1374 |
+
"input": "O=[N+]([O-])c1cc2[nH]c3ccc4ccccc4c3c2c2cccc(O)c12",
|
1375 |
+
"output": "有"
|
1376 |
+
},
|
1377 |
+
{
|
1378 |
+
"instruction": "我想知道这个分子的毒性,你能提供吗?",
|
1379 |
+
"input": "O=[N+]([O-])c1c(CS(=O)(=O)Cc2ccccc2)nc2c(Br)cc(Br)cn12",
|
1380 |
+
"output": "有"
|
1381 |
+
},
|
1382 |
+
{
|
1383 |
+
"instruction": "这个分子的毒性是多少?",
|
1384 |
+
"input": "O=[N+]([O-])OC1COC2C(O[N+](=O)[O-])COC12",
|
1385 |
+
"output": "无"
|
1386 |
+
},
|
1387 |
+
{
|
1388 |
+
"instruction": "我想知道这个分子的致突变性,你能提供吗?",
|
1389 |
+
"input": "O=[N+]([O-])NC1=NCC(O)N1Cc1ccc(Cl)nc1",
|
1390 |
+
"output": "无"
|
1391 |
+
},
|
1392 |
+
{
|
1393 |
+
"instruction": "请提供该分子的AMES。",
|
1394 |
+
"input": "O=S(=O)(O)c1c(N=Nc2c(O)ccc3ccccc23)ccc2ccccc12",
|
1395 |
+
"output": "无"
|
1396 |
+
},
|
1397 |
+
{
|
1398 |
+
"instruction": "这个分子的毒性是多少?",
|
1399 |
+
"input": "O=P(O)(O)CCCl",
|
1400 |
+
"output": "有"
|
1401 |
+
},
|
1402 |
+
{
|
1403 |
+
"instruction": "请给我提供这个分子的AMES值。",
|
1404 |
+
"input": "O=Nc1ccc(Oc2ccccc2)cc1",
|
1405 |
+
"output": "有"
|
1406 |
+
},
|
1407 |
+
{
|
1408 |
+
"instruction": "这个分子的毒性是多少?",
|
1409 |
+
"input": "O=NN1CCNCC1",
|
1410 |
+
"output": "有"
|
1411 |
+
},
|
1412 |
+
{
|
1413 |
+
"instruction": "你能给我这个分子的毒性?",
|
1414 |
+
"input": "O=NN1CCCC1c1cccnc1",
|
1415 |
+
"output": "有"
|
1416 |
+
},
|
1417 |
+
{
|
1418 |
+
"instruction": "我想知道这个分子的致突变性,你能提供吗?",
|
1419 |
+
"input": "O=C1c2ccccc2C(=O)c2c1ccc(OC1OC(COC3OCC(O)C(O)C3O)C(O)C(O)C1O)c2O",
|
1420 |
+
"output": "无"
|
1421 |
+
},
|
1422 |
+
{
|
1423 |
+
"instruction": "请提供该分子的毒性。",
|
1424 |
+
"input": "O=C1c2c(ccc3ccccc23)-c2ccc3ccccc3c21",
|
1425 |
+
"output": "无"
|
1426 |
+
},
|
1427 |
+
{
|
1428 |
+
"instruction": "我对这个分子的毒性很感兴趣,你能告诉我它是多少吗?",
|
1429 |
+
"input": "O=C1OC(=O)c2cc([N+](=O)[O-])ccc21",
|
1430 |
+
"output": "有"
|
1431 |
+
},
|
1432 |
+
{
|
1433 |
+
"instruction": "我需要知道这个分子的AMES,你能提供吗?",
|
1434 |
+
"input": "O=C1N[C@@H](c2ccc([N+](=O)[O-])s2)Nc2ccccc21",
|
1435 |
+
"output": "有"
|
1436 |
+
},
|
1437 |
+
{
|
1438 |
+
"instruction": "我需要知道这个分子的AMES,你能提供吗?",
|
1439 |
+
"input": "O=C1CCCO1",
|
1440 |
+
"output": "无"
|
1441 |
+
},
|
1442 |
+
{
|
1443 |
+
"instruction": "这个分子的致突变性是多少?",
|
1444 |
+
"input": "O=C1C=Cc2ccc3c4c(ccc1c24)C=CC3=O",
|
1445 |
+
"output": "有"
|
1446 |
+
},
|
1447 |
+
{
|
1448 |
+
"instruction": "这个分子的AMES是多少?",
|
1449 |
+
"input": "O=C1C=Cc2ccc3c4c(ccc1c24)C(=O)C=C3",
|
1450 |
+
"output": "有"
|
1451 |
+
},
|
1452 |
+
{
|
1453 |
+
"instruction": "我想知道这个分子的致突变性,你能提供吗?",
|
1454 |
+
"input": "O=C1C=CC(=O)C(Cl)=C1",
|
1455 |
+
"output": "无"
|
1456 |
+
},
|
1457 |
+
{
|
1458 |
+
"instruction": "你能告诉我这个分子致突变性吗?",
|
1459 |
+
"input": "O=C1C=C2C(=CCOC2O)O1",
|
1460 |
+
"output": "无"
|
1461 |
+
},
|
1462 |
+
{
|
1463 |
+
"instruction": "请提供该分子的致突变性。",
|
1464 |
+
"input": "O=C1C(Cl)=C(Cl)C(=O)c2ccccc21",
|
1465 |
+
"output": "有"
|
1466 |
+
},
|
1467 |
+
{
|
1468 |
+
"instruction": "你能告诉我这个分子的致突变性值吗?",
|
1469 |
+
"input": "O=C(c1ccccc1)C1OC1c1ccc([N+](=O)[O-])cc1",
|
1470 |
+
"output": "无"
|
1471 |
+
},
|
1472 |
+
{
|
1473 |
+
"instruction": "请提供该分子的AMES。",
|
1474 |
+
"input": "O=C(O)c1occ(-c2ccccc2)c1-c1ccccc1",
|
1475 |
+
"output": "无"
|
1476 |
+
},
|
1477 |
+
{
|
1478 |
+
"instruction": "请提供该分子的致突变性。",
|
1479 |
+
"input": "O=C(O)c1c(O)c(C2(c3ccc(Cl)cc3)CC2)nc2c(C(F)(F)F)cccc12",
|
1480 |
+
"output": "无"
|
1481 |
+
},
|
1482 |
+
{
|
1483 |
+
"instruction": "我对这个分子的致突变性很感兴趣,你能告诉我它是多少吗?",
|
1484 |
+
"input": "O=C(O)C[C@H](Cl)C(=O)O",
|
1485 |
+
"output": "无"
|
1486 |
+
},
|
1487 |
+
{
|
1488 |
+
"instruction": "请提供该分子的毒性。",
|
1489 |
+
"input": "O=C(O)CCC(=O)N1CCc2cc(-c3noc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)ccc21",
|
1490 |
+
"output": "无"
|
1491 |
+
},
|
1492 |
+
{
|
1493 |
+
"instruction": "我想知道这个分子的AMES,你能提供吗?",
|
1494 |
+
"input": "O=C(O)C(Cl)Br",
|
1495 |
+
"output": "有"
|
1496 |
+
},
|
1497 |
+
{
|
1498 |
+
"instruction": "我需要知道这个分子的致突变性,你能提供吗?",
|
1499 |
+
"input": "O=C(O)/C=C/c1c[nH]cn1",
|
1500 |
+
"output": "无"
|
1501 |
+
},
|
1502 |
+
{
|
1503 |
+
"instruction": "请给我提供这个分子的致突变性。",
|
1504 |
+
"input": "O=C(Nc1ccon1)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1",
|
1505 |
+
"output": "无"
|
1506 |
+
},
|
1507 |
+
{
|
1508 |
+
"instruction": "我想知道这个分子的AMES,你能提供吗?",
|
1509 |
+
"input": "O=C(Nc1ccccc1Cl)c1csc([N+](=O)[O-])c1",
|
1510 |
+
"output": "有"
|
1511 |
+
},
|
1512 |
+
{
|
1513 |
+
"instruction": "请提供该分子的AMES。",
|
1514 |
+
"input": "O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)Cc3ccccc3)cc2)cc1)[C@@H]1CCCN1C(=O)Cc1ccccc1",
|
1515 |
+
"output": "无"
|
1516 |
+
},
|
1517 |
+
{
|
1518 |
+
"instruction": "我需要知道这个分子的毒性,你能提供吗?",
|
1519 |
+
"input": "O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1",
|
1520 |
+
"output": "无"
|
1521 |
+
},
|
1522 |
+
{
|
1523 |
+
"instruction": "这个分子的AMES是多少?",
|
1524 |
+
"input": "O=C(Cl)c1ccccc1[N+](=O)[O-]",
|
1525 |
+
"output": "有"
|
1526 |
+
},
|
1527 |
+
{
|
1528 |
+
"instruction": "请提供该分子的毒性。",
|
1529 |
+
"input": "O=C(CCl)Nc1snc2ccc(Cl)cc12",
|
1530 |
+
"output": "有"
|
1531 |
+
},
|
1532 |
+
{
|
1533 |
+
"instruction": "你能给我这个分子的毒性吗?",
|
1534 |
+
"input": "O=C(/C=C/c1ccc(O)cc1)c1ccccc1",
|
1535 |
+
"output": "无"
|
1536 |
+
},
|
1537 |
+
{
|
1538 |
+
"instruction": "请提供该分子的毒性。",
|
1539 |
+
"input": "Nc1nc[nH]n1",
|
1540 |
+
"output": "无"
|
1541 |
+
},
|
1542 |
+
{
|
1543 |
+
"instruction": "我对这个分子的毒性很感兴趣,你能告诉我它是多少吗?",
|
1544 |
+
"input": "Nc1nc(-c2ccc(Cl)cc2)c2c(n1)-c1ccccc1C2=O",
|
1545 |
+
"output": "无"
|
1546 |
+
},
|
1547 |
+
{
|
1548 |
+
"instruction": "这个分子的AMES是多少?",
|
1549 |
+
"input": "Nc1ccn(C2C=C(CO)C(O)C2O)c(=O)n1",
|
1550 |
+
"output": "无"
|
1551 |
+
},
|
1552 |
+
{
|
1553 |
+
"instruction": "这个分子的AMES是多少?",
|
1554 |
+
"input": "Nc1cccc2cccc(N)c12",
|
1555 |
+
"output": "有"
|
1556 |
+
},
|
1557 |
+
{
|
1558 |
+
"instruction": "这个分子的毒性是多少?",
|
1559 |
+
"input": "Nc1cccc2[nH]c(=O)ccc12",
|
1560 |
+
"output": "有"
|
1561 |
+
},
|
1562 |
+
{
|
1563 |
+
"instruction": "请给我提供这个分子的致突变性值。",
|
1564 |
+
"input": "Nc1ccc2nc3ccc(N)cc3[s+]c2c1",
|
1565 |
+
"output": "有"
|
1566 |
+
},
|
1567 |
+
{
|
1568 |
+
"instruction": "请提供该分子的毒性。",
|
1569 |
+
"input": "Nc1ccc2cc3ccccc3nc2c1",
|
1570 |
+
"output": "有"
|
1571 |
+
},
|
1572 |
+
{
|
1573 |
+
"instruction": "我想知道这个分子的毒性,你能提供吗?",
|
1574 |
+
"input": "Nc1ccc([N+](=O)[O-])cc1O",
|
1575 |
+
"output": "有"
|
1576 |
+
},
|
1577 |
+
{
|
1578 |
+
"instruction": "请提供该分子的AMES。",
|
1579 |
+
"input": "Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1",
|
1580 |
+
"output": "有"
|
1581 |
+
},
|
1582 |
+
{
|
1583 |
+
"instruction": "我想知道这个分子的致突变性,你能提供吗?",
|
1584 |
+
"input": "Nc1ccc(O)c(N)c1",
|
1585 |
+
"output": "有"
|
1586 |
+
},
|
1587 |
+
{
|
1588 |
+
"instruction": "请给我提供这个分子的致突变性值。",
|
1589 |
+
"input": "Nc1ccc(N=Nc2ccc(-c3ccc(N=Nc4c(S(=O)(=O)[O-])cc5cc(S(=O)(=O)[O-])c(N=Nc6ccccc6)c(O)c5c4N)cc3)cc2)c(N)c1",
|
1590 |
+
"output": "有"
|
1591 |
+
},
|
1592 |
+
{
|
1593 |
+
"instruction": "请提供该分子的致突变性。",
|
1594 |
+
"input": "Nc1ccc(-c2ccc(N)cc2[N+](=O)[O-])cc1",
|
1595 |
+
"output": "有"
|
1596 |
+
},
|
1597 |
+
{
|
1598 |
+
"instruction": "请给我提供这个分子的毒性值。",
|
1599 |
+
"input": "Nc1ccc(-c2ccc(N)c(Cl)c2)cc1Cl",
|
1600 |
+
"output": "有"
|
1601 |
+
},
|
1602 |
+
{
|
1603 |
+
"instruction": "请提供该分子的毒性。",
|
1604 |
+
"input": "Nc1cc([N+](=O)[O-])ccc1O",
|
1605 |
+
"output": "有"
|
1606 |
+
},
|
1607 |
+
{
|
1608 |
+
"instruction": "这个分子的AMES是多少?",
|
1609 |
+
"input": "Nc1c2c(nc3ccccc13)CCCC2",
|
1610 |
+
"output": "有"
|
1611 |
+
},
|
1612 |
+
{
|
1613 |
+
"instruction": "这个分子的AMES是多少?",
|
1614 |
+
"input": "Nc1c(Oc2ccccc2)cc(O)c2c1C(=O)c1ccccc1C2=O",
|
1615 |
+
"output": "有"
|
1616 |
+
},
|
1617 |
+
{
|
1618 |
+
"instruction": "你能告诉我这个分子的毒性吗?",
|
1619 |
+
"input": "NP(=O)(OCCC(=O)O)N(CCCl)CCCl",
|
1620 |
+
"output": "有"
|
1621 |
+
},
|
1622 |
+
{
|
1623 |
+
"instruction": "请提供该分子的AMES。",
|
1624 |
+
"input": "NNc1nncc2ncccc12",
|
1625 |
+
"output": "有"
|
1626 |
+
},
|
1627 |
+
{
|
1628 |
+
"instruction": "我对这个分子的毒性很感兴趣,你能告诉我它是什么吗?",
|
1629 |
+
"input": "NN",
|
1630 |
+
"output": "有"
|
1631 |
+
},
|
1632 |
+
{
|
1633 |
+
"instruction": "这个分子的致突变性是多少?",
|
1634 |
+
"input": "NC1=NS(=O)(=O)N(Cc2ccccc2)c2nc(-c3ccccc3)n(Cc3ccccc3)c21",
|
1635 |
+
"output": "无"
|
1636 |
+
},
|
1637 |
+
{
|
1638 |
+
"instruction": "你能给我这个分子的致突变性吗?",
|
1639 |
+
"input": "NC(CCC(=O)NC(CSN=O)C(=O)NCC(=O)O)C(=O)O",
|
1640 |
+
"output": "有"
|
1641 |
+
},
|
1642 |
+
{
|
1643 |
+
"instruction": "这个分子的AMES是多少?",
|
1644 |
+
"input": "NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1",
|
1645 |
+
"output": "无"
|
1646 |
+
},
|
1647 |
+
{
|
1648 |
+
"instruction": "我想知道这个分子的致突变性,你能提供吗?",
|
1649 |
+
"input": "NC(=O)c1cnccn1",
|
1650 |
+
"output": "无"
|
1651 |
+
},
|
1652 |
+
{
|
1653 |
+
"instruction": "请给我这个分子的毒性。",
|
1654 |
+
"input": "NC(=O)CNC(=O)N(CCCl)N=O",
|
1655 |
+
"output": "有"
|
1656 |
+
},
|
1657 |
+
{
|
1658 |
+
"instruction": "我想知道这个分子的致突变性,你能提供吗?",
|
1659 |
+
"input": "N=C(N)c1ccccc1",
|
1660 |
+
"output": "无"
|
1661 |
+
},
|
1662 |
+
{
|
1663 |
+
"instruction": "我对这个分子的AMES很感兴趣,你能告诉我它是多少吗?",
|
1664 |
+
"input": "N/C(=N\\OS(=O)(=O)O)c1ccccc1",
|
1665 |
+
"output": "无"
|
1666 |
+
},
|
1667 |
+
{
|
1668 |
+
"instruction": "这个分子的AMES是多少?",
|
1669 |
+
"input": "N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4c(c3)CCN4C(=O)CCC(=O)O)no2)c1",
|
1670 |
+
"output": "无"
|
1671 |
+
},
|
1672 |
+
{
|
1673 |
+
"instruction": "你能给我这个分子的毒性吗?",
|
1674 |
+
"input": "N#Cc1cc(Cl)ccc1-c1ccc(N)cc1F",
|
1675 |
+
"output": "无"
|
1676 |
+
},
|
1677 |
+
{
|
1678 |
+
"instruction": "我想知道这个分子的致突变性,你能提供吗?",
|
1679 |
+
"input": "N#CCBr",
|
1680 |
+
"output": "无"
|
1681 |
+
},
|
1682 |
+
{
|
1683 |
+
"instruction": "这个分子的毒性是多少?",
|
1684 |
+
"input": "N#C/C(=C\\C=C\\c1ccccc1)c1ccc(F)cc1",
|
1685 |
+
"output": "有"
|
1686 |
+
},
|
1687 |
+
{
|
1688 |
+
"instruction": "请给我提供这个分子的致突变性值。",
|
1689 |
+
"input": "Cn1cnc(S(=O)(=O)N2C[C@H](Nc3ccc(F)c(OC(F)(F)F)c3)[C@@H](c3ccc(F)cc3)C2)c1",
|
1690 |
+
"output": "无"
|
1691 |
+
},
|
1692 |
+
{
|
1693 |
+
"instruction": "这个分子的AMES是多少?",
|
1694 |
+
"input": "Cn1c(N=[N+]=[N-])nc2c3ccccc3ccc21",
|
1695 |
+
"output": "有"
|
1696 |
+
},
|
1697 |
+
{
|
1698 |
+
"instruction": "你能告诉我这个分子的致突变性值吗?",
|
1699 |
+
"input": "Clc1ccc([C@H](c2ccccc2Cl)C(Cl)Cl)cc1",
|
1700 |
+
"output": "无"
|
1701 |
+
},
|
1702 |
+
{
|
1703 |
+
"instruction": "请给我这个分子的毒性。",
|
1704 |
+
"input": "ClCc1cccnc1",
|
1705 |
+
"output": "有"
|
1706 |
+
},
|
1707 |
+
{
|
1708 |
+
"instruction": "我想知道这个分子的致突变性,你能提供吗?",
|
1709 |
+
"input": "Cc1nnc2sc(C(=O)NC3CN(c4cccc(F)c4F)C3)c(N)c2c1C",
|
1710 |
+
"output": "无"
|
1711 |
+
},
|
1712 |
+
{
|
1713 |
+
"instruction": "这个分子的AMES是多少?",
|
1714 |
+
"input": "Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1",
|
1715 |
+
"output": "无"
|
1716 |
+
},
|
1717 |
+
{
|
1718 |
+
"instruction": "请给我这个分子的毒性。",
|
1719 |
+
"input": "Cc1nc(-c2ccc([N+](=O)[O-])o2)cs1",
|
1720 |
+
"output": "有"
|
1721 |
+
},
|
1722 |
+
{
|
1723 |
+
"instruction": "我想知道这个分子的致突变性,你能提供吗?",
|
1724 |
+
"input": "Cc1n[n+]([O-])c(-c2ccccc2)c(=O)n1N",
|
1725 |
+
"output": "有"
|
1726 |
+
},
|
1727 |
+
{
|
1728 |
+
"instruction": "请提供该分子的AMES。",
|
1729 |
+
"input": "Cc1cccc(O)c1N",
|
1730 |
+
"output": "无"
|
1731 |
+
},
|
1732 |
+
{
|
1733 |
+
"instruction": "这个分子的毒性是多少?",
|
1734 |
+
"input": "Cc1ccc2nsc(NC(=O)CCl)c2c1",
|
1735 |
+
"output": "有"
|
1736 |
+
},
|
1737 |
+
{
|
1738 |
+
"instruction": "请给我这个分子的AMES。",
|
1739 |
+
"input": "Cc1ccc2ccccc2c1[N+](=O)[O-]",
|
1740 |
+
"output": "有"
|
1741 |
+
},
|
1742 |
+
{
|
1743 |
+
"instruction": "请提供该分子的AMES。",
|
1744 |
+
"input": "Cc1ccc2cc3ccccc3cc2c1",
|
1745 |
+
"output": "有"
|
1746 |
+
},
|
1747 |
+
{
|
1748 |
+
"instruction": "这个分子的致突变性是多少?",
|
1749 |
+
"input": "Cc1ccc2c(ccc3ccccc32)c1",
|
1750 |
+
"output": "有"
|
1751 |
+
},
|
1752 |
+
{
|
1753 |
+
"instruction": "请提供该分子的毒性。",
|
1754 |
+
"input": "Cc1ccc2c(c1)C(=O)c1ccccc1C2=O",
|
1755 |
+
"output": "无"
|
1756 |
+
},
|
1757 |
+
{
|
1758 |
+
"instruction": "这个分子的AMES是多少?",
|
1759 |
+
"input": "Cc1ccc2c(c1)-c1ccccc1C2C",
|
1760 |
+
"output": "有"
|
1761 |
+
},
|
1762 |
+
{
|
1763 |
+
"instruction": "我想知道这个分子的AMES,你能提供吗?",
|
1764 |
+
"input": "Cc1ccc([N+](=O)[O-])cc1",
|
1765 |
+
"output": "无"
|
1766 |
+
},
|
1767 |
+
{
|
1768 |
+
"instruction": "请提供该分子的致突变性。",
|
1769 |
+
"input": "Cc1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1",
|
1770 |
+
"output": "有"
|
1771 |
+
},
|
1772 |
+
{
|
1773 |
+
"instruction": "这个分子的毒性是多少?",
|
1774 |
+
"input": "Cc1ccc(O)c(N)c1",
|
1775 |
+
"output": "有"
|
1776 |
+
},
|
1777 |
+
{
|
1778 |
+
"instruction": "我需要知道这个分子的毒性,你能提供吗?",
|
1779 |
+
"input": "Cc1ccc(NS(=O)(=O)N(C)C)c(O)c1",
|
1780 |
+
"output": "无"
|
1781 |
+
},
|
1782 |
+
{
|
1783 |
+
"instruction": "请提供该分子的致突变性。",
|
1784 |
+
"input": "Cc1ccc(NCCO)cc1O",
|
1785 |
+
"output": "无"
|
1786 |
+
},
|
1787 |
+
{
|
1788 |
+
"instruction": "这个分子的致突变性是多少?",
|
1789 |
+
"input": "Cc1ccc(N)cc1N",
|
1790 |
+
"output": "有"
|
1791 |
+
},
|
1792 |
+
{
|
1793 |
+
"instruction": "你能告诉我这个分子毒性吗?",
|
1794 |
+
"input": "Cc1ccc(C)c([N+](=O)[O-])c1",
|
1795 |
+
"output": "有"
|
1796 |
+
},
|
1797 |
+
{
|
1798 |
+
"instruction": "这个分子的毒性是多少?",
|
1799 |
+
"input": "Cc1ccc(-c2nc3n(c2[N+](=O)[O-])CCS3)cc1",
|
1800 |
+
"output": "有"
|
1801 |
+
},
|
1802 |
+
{
|
1803 |
+
"instruction": "请提供该分子的毒性。",
|
1804 |
+
"input": "Cc1ccc(-c2cc3nc(NC(C)(C)C)[nH]c(=O)c3s2)cc1",
|
1805 |
+
"output": "无"
|
1806 |
+
},
|
1807 |
+
{
|
1808 |
+
"instruction": "这个分子的AMES是多少?",
|
1809 |
+
"input": "Cc1cc2c(c3ccc4ccccc4c13)CC(O)C2=O",
|
1810 |
+
"output": "有"
|
1811 |
+
},
|
1812 |
+
{
|
1813 |
+
"instruction": "你能给我这个分子的毒性吗?",
|
1814 |
+
"input": "Cc1cc(N2C[C@H]3CC[C@@H](C2)[C@@H]3Nc2nc3n(n2)CCCN3c2cc(F)cc(F)c2)ncn1",
|
1815 |
+
"output": "无"
|
1816 |
+
},
|
1817 |
+
{
|
1818 |
+
"instruction": "你能给我这个分子的AMES吗?",
|
1819 |
+
"input": "Cc1cc(N)cc([N+](=O)[O-])c1N",
|
1820 |
+
"output": "有"
|
1821 |
+
},
|
1822 |
+
{
|
1823 |
+
"instruction": "我想知道这个分子的致突变性,你能提供吗?",
|
1824 |
+
"input": "Cc1cc(C2(c3cc(C)c(O)cc3C)OS(=O)(=O)c3ccccc32)c(C)cc1O",
|
1825 |
+
"output": "无"
|
1826 |
+
},
|
1827 |
+
{
|
1828 |
+
"instruction": "这个分子的AMES是多少?",
|
1829 |
+
"input": "Cc1cc(C)c2nsnc2c1N",
|
1830 |
+
"output": "有"
|
1831 |
+
},
|
1832 |
+
{
|
1833 |
+
"instruction": "我想知道这个分子的AMES,你能提供吗?",
|
1834 |
+
"input": "Cc1cc(C)c(N)c(C)c1",
|
1835 |
+
"output": "有"
|
1836 |
+
},
|
1837 |
+
{
|
1838 |
+
"instruction": "这个分子的致突变性是多少?",
|
1839 |
+
"input": "Cc1c2ccccc2c(CO)c2ccccc12",
|
1840 |
+
"output": "有"
|
1841 |
+
},
|
1842 |
+
{
|
1843 |
+
"instruction": "这个分子的致突变性是多少?",
|
1844 |
+
"input": "Cc1c2ccccc2c(C)c2ccccc12",
|
1845 |
+
"output": "有"
|
1846 |
+
},
|
1847 |
+
{
|
1848 |
+
"instruction": "请提供该分子的毒性值。",
|
1849 |
+
"input": "Cc1c2cc(CO)ccc2nc2c1ccc1ccccc12",
|
1850 |
+
"output": "有"
|
1851 |
+
},
|
1852 |
+
{
|
1853 |
+
"instruction": "我想知道这个分子的AMES,你能提供吗?",
|
1854 |
+
"input": "Cc1c(NO)cc(NO)cc1[N+](=O)[O-]",
|
1855 |
+
"output": "有"
|
1856 |
+
},
|
1857 |
+
{
|
1858 |
+
"instruction": "请给我这个分子的致突变性。",
|
1859 |
+
"input": "Cc1c(N=[N+]([O-])c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc([N+](=O)[O-])cc1[N+](=O)[O-]",
|
1860 |
+
"output": "有"
|
1861 |
+
},
|
1862 |
+
{
|
1863 |
+
"instruction": "我想知道这个分子的AMES,你能提供吗?",
|
1864 |
+
"input": "Cc1c(C)c2c(N)c3ccccc3nc2c2ccccc12",
|
1865 |
+
"output": "有"
|
1866 |
+
},
|
1867 |
+
{
|
1868 |
+
"instruction": "你能告诉我这个分子的致突变性吗?",
|
1869 |
+
"input": "C[Si](C)(C)N[Si](C)(C)C",
|
1870 |
+
"output": "无"
|
1871 |
+
},
|
1872 |
+
{
|
1873 |
+
"instruction": "我对这个分子的AMES��感兴趣,你能告诉我它是什么吗?",
|
1874 |
+
"input": "C[C@]1(c2ccc([N+](=O)[O-])cc2)CO1",
|
1875 |
+
"output": "有"
|
1876 |
+
},
|
1877 |
+
{
|
1878 |
+
"instruction": "请给我这个分子的AMES。",
|
1879 |
+
"input": "C[C@H](N)CNc1cnc(C(N)=O)c(-c2cnn(C)c2)n1",
|
1880 |
+
"output": "无"
|
1881 |
+
},
|
1882 |
+
{
|
1883 |
+
"instruction": "请给我这个分子的致突变性。",
|
1884 |
+
"input": "C[C@H](C(=O)O)n1nc(Cn2cc3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O",
|
1885 |
+
"output": "无"
|
1886 |
+
},
|
1887 |
+
{
|
1888 |
+
"instruction": "这个分子的毒性是多少?",
|
1889 |
+
"input": "C[C@@H](Nc1[nH]cnc2nc(-c3ccc(CCl)cc3)cc1-2)c1ccccc1",
|
1890 |
+
"output": "有"
|
1891 |
+
},
|
1892 |
+
{
|
1893 |
+
"instruction": "请给我这个分子的AMES。",
|
1894 |
+
"input": "CSCCC(NC=O)C(=O)NC(Cc1ccccc1)C(=O)O",
|
1895 |
+
"output": "无"
|
1896 |
+
},
|
1897 |
+
{
|
1898 |
+
"instruction": "这个分子的AMES是多少?",
|
1899 |
+
"input": "CSCCC(N)C(=O)O",
|
1900 |
+
"output": "无"
|
1901 |
+
},
|
1902 |
+
{
|
1903 |
+
"instruction": "你能给我这个分子的致突变性?",
|
1904 |
+
"input": "CS(=O)(=O)c1ccc(O)c(N)c1",
|
1905 |
+
"output": "无"
|
1906 |
+
},
|
1907 |
+
{
|
1908 |
+
"instruction": "你能告诉我这个分子的毒性值吗?",
|
1909 |
+
"input": "COc1nncc2cnccc12",
|
1910 |
+
"output": "无"
|
1911 |
+
},
|
1912 |
+
{
|
1913 |
+
"instruction": "请提供该分子的毒性。",
|
1914 |
+
"input": "COc1cccc2c1cc1c3c(cc4c(c32)OCO4)C(=O)N1",
|
1915 |
+
"output": "有"
|
1916 |
+
},
|
1917 |
+
{
|
1918 |
+
"instruction": "这个分子的AMES是多少?",
|
1919 |
+
"input": "COc1ccc(OC)c(N=Nc2c(O)ccc3ccccc23)c1",
|
1920 |
+
"output": "有"
|
1921 |
+
},
|
1922 |
+
{
|
1923 |
+
"instruction": "这个分子的致突变性是多少?",
|
1924 |
+
"input": "COc1ccc(C(=O)ON(OCc2ccccc2)C(=O)c2ccccc2)cc1",
|
1925 |
+
"output": "有"
|
1926 |
+
},
|
1927 |
+
{
|
1928 |
+
"instruction": "请提供该分子的AMES。",
|
1929 |
+
"input": "COc1cc2c(CCNC(C)=O)c[nH]c2cc1O",
|
1930 |
+
"output": "无"
|
1931 |
+
},
|
1932 |
+
{
|
1933 |
+
"instruction": "这个分子的毒性是多少?",
|
1934 |
+
"input": "COc1c2ccoc2nc2c(O)c3c(c(CC=C(C)C)c12)OCO3",
|
1935 |
+
"output": "无"
|
1936 |
+
},
|
1937 |
+
{
|
1938 |
+
"instruction": "请提供该分子的致突变性。",
|
1939 |
+
"input": "COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl",
|
1940 |
+
"output": "有"
|
1941 |
+
},
|
1942 |
+
{
|
1943 |
+
"instruction": "我想知道这个分子的AMES,你能提供吗?",
|
1944 |
+
"input": "COP(=O)(SC)SC",
|
1945 |
+
"output": "无"
|
1946 |
+
},
|
1947 |
+
{
|
1948 |
+
"instruction": "我对这个分子的毒性很感兴趣,你能告诉我它是什么吗?",
|
1949 |
+
"input": "COP(=O)(O)O",
|
1950 |
+
"output": "无"
|
1951 |
+
},
|
1952 |
+
{
|
1953 |
+
"instruction": "这个分子的致突变性是多少?",
|
1954 |
+
"input": "COC(=O)C1=C(C)NC(C)=C(C(=O)OCC=Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1",
|
1955 |
+
"output": "无"
|
1956 |
+
},
|
1957 |
+
{
|
1958 |
+
"instruction": "请提供该分子的毒性。",
|
1959 |
+
"input": "COC(=O)C(C)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1",
|
1960 |
+
"output": "无"
|
1961 |
+
},
|
1962 |
+
{
|
1963 |
+
"instruction": "请提供该分子的毒性。",
|
1964 |
+
"input": "CO/N=C(\\C(=O)NC1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CSC12)c1csc(N)n1",
|
1965 |
+
"output": "无"
|
1966 |
+
},
|
1967 |
+
{
|
1968 |
+
"instruction": "你能告诉我这个分子毒性吗?",
|
1969 |
+
"input": "CO/N=C(/C(=O)O)c1ccccc1COc1cc(O)ccc1C",
|
1970 |
+
"output": "无"
|
1971 |
+
},
|
1972 |
+
{
|
1973 |
+
"instruction": "我对这个分子的AMES很感兴趣,你能告诉我它是什么吗?",
|
1974 |
+
"input": "CNc1ccc2ncc(C)nc2c1C",
|
1975 |
+
"output": "有"
|
1976 |
+
},
|
1977 |
+
{
|
1978 |
+
"instruction": "这个分子的毒性是多少?",
|
1979 |
+
"input": "CNC(C)Cc1ccccc1",
|
1980 |
+
"output": "无"
|
1981 |
+
},
|
1982 |
+
{
|
1983 |
+
"instruction": "我想知道这个分子的致突变性,你能提供吗?",
|
1984 |
+
"input": "CNC(=O)c1cc(C(=O)O)cc(C)c1NC(=O)c1cc(Br)nn1-c1ncccc1Cl",
|
1985 |
+
"output": "无"
|
1986 |
+
},
|
1987 |
+
{
|
1988 |
+
"instruction": "你能给我这个分子的致突变性吗?",
|
1989 |
+
"input": "CNC(=O)c1cc(C(=O)N[C@H]2CC[C@H](O)CC2)n([C@@H](C)c2ccccc2)n1",
|
1990 |
+
"output": "无"
|
1991 |
+
},
|
1992 |
+
{
|
1993 |
+
"instruction": "这个分子的毒性是多少?",
|
1994 |
+
"input": "CN1CCC=C2c3nc(N)sc3CCC21",
|
1995 |
+
"output": "有"
|
1996 |
+
},
|
1997 |
+
{
|
1998 |
+
"instruction": "请提供该分子的致突变性。",
|
1999 |
+
"input": "CN(CCC#N)c1ccc(N=Nc2ccccc2)cc1",
|
2000 |
+
"output": "有"
|
2001 |
+
},
|
2002 |
+
{
|
2003 |
+
"instruction": "我想知道这个分子的致突变性,你能提供吗?",
|
2004 |
+
"input": "CN(C)c1ccc(CCO)cc1",
|
2005 |
+
"output": "有"
|
2006 |
+
},
|
2007 |
+
{
|
2008 |
+
"instruction": "请提供该分子的AMES。",
|
2009 |
+
"input": "CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2c(O)c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)ccc23)cc1",
|
2010 |
+
"output": "无"
|
2011 |
+
},
|
2012 |
+
{
|
2013 |
+
"instruction": "请提供该分子的AMES。",
|
2014 |
+
"input": "CN(C)CCO[C@@](C)(c1ccccc1)c1ccccn1",
|
2015 |
+
"output": "无"
|
2016 |
+
},
|
2017 |
+
{
|
2018 |
+
"instruction": "请给我这个分子的毒性。",
|
2019 |
+
"input": "CN(C)CCNC(=O)c1cccc2c1Oc1ccccc1O2",
|
2020 |
+
"output": "有"
|
2021 |
+
},
|
2022 |
+
{
|
2023 |
+
"instruction": "我需要知道这个分子的致突变性,你能提供吗?",
|
2024 |
+
"input": "CN(C)CCCNc1c2ccccc2nc2ccccc12",
|
2025 |
+
"output": "有"
|
2026 |
+
},
|
2027 |
+
{
|
2028 |
+
"instruction": "这个分子的致突变性是多少?",
|
2029 |
+
"input": "CN(C)/C(=N/c1ccc2c(c1)C(=O)c1ccc(/N=C(\\C3CC3)N(C)C)cc1C2=O)C1CC1",
|
2030 |
+
"output": "无"
|
2031 |
+
},
|
2032 |
+
{
|
2033 |
+
"instruction": "这个分子的毒性是多少?",
|
2034 |
+
"input": "CCc1cccc2cc([C@H](O)CNC(C)(C)C)oc12",
|
2035 |
+
"output": "无"
|
2036 |
+
},
|
2037 |
+
{
|
2038 |
+
"instruction": "请提供该分子的毒性。",
|
2039 |
+
"input": "CCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)O)OCC3",
|
2040 |
+
"output": "无"
|
2041 |
+
},
|
2042 |
+
{
|
2043 |
+
"instruction": "我想知道这个分子的毒性,你能提供吗?",
|
2044 |
+
"input": "CCc1cccc(CC)c1N",
|
2045 |
+
"output": "有"
|
2046 |
+
},
|
2047 |
+
{
|
2048 |
+
"instruction": "我想知道这个分子的毒性,你能提供吗?",
|
2049 |
+
"input": "CCc1ccc2nc(N3CCC(N[C@@H]4CCCOC4)CC3)c(-c3nc(C)no3)cc2c1",
|
2050 |
+
"output": "有"
|
2051 |
+
},
|
2052 |
+
{
|
2053 |
+
"instruction": "我对这个分子的毒性很感兴趣,你能告诉我它是什么吗?",
|
2054 |
+
"input": "CCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)O)n2Cc1cc([N+](=O)[O-])ccc1F",
|
2055 |
+
"output": "无"
|
2056 |
+
},
|
2057 |
+
{
|
2058 |
+
"instruction": "请提供该分子的毒性。",
|
2059 |
+
"input": "CCc1cc2ccccc2c2ccc3c(c12)C1OC1C(O)C3O",
|
2060 |
+
"output": "有"
|
2061 |
+
},
|
2062 |
+
{
|
2063 |
+
"instruction": "这个分子的AMES是多少?",
|
2064 |
+
"input": "CC[n+]1c2ccccc2nc2ccccc21",
|
2065 |
+
"output": "有"
|
2066 |
+
},
|
2067 |
+
{
|
2068 |
+
"instruction": "我想知道这个分子的毒性,你能提供吗?",
|
2069 |
+
"input": "CC[Si](Cl)(Cl)CC",
|
2070 |
+
"output": "无"
|
2071 |
+
},
|
2072 |
+
{
|
2073 |
+
"instruction": "请提供该分子的AMES。",
|
2074 |
+
"input": "CC[C@@H](C)N",
|
2075 |
+
"output": "无"
|
2076 |
+
},
|
2077 |
+
{
|
2078 |
+
"instruction": "请提供该分子的致突变性。",
|
2079 |
+
"input": "CCS(=O)(=O)c1nc2ccccn2c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1",
|
2080 |
+
"output": "无"
|
2081 |
+
},
|
2082 |
+
{
|
2083 |
+
"instruction": "我想知道这个分子的AMES,你能提供吗?",
|
2084 |
+
"input": "CCON(OC(C)=O)C(=O)c1ccccc1",
|
2085 |
+
"output": "有"
|
2086 |
+
},
|
2087 |
+
{
|
2088 |
+
"instruction": "你能告诉我这个分子的致突变性值吗?",
|
2089 |
+
"input": "CCOCCO",
|
2090 |
+
"output": "无"
|
2091 |
+
},
|
2092 |
+
{
|
2093 |
+
"instruction": "你能给我这个分子的毒性吗?",
|
2094 |
+
"input": "CCOC(C)=O",
|
2095 |
+
"output": "无"
|
2096 |
+
},
|
2097 |
+
{
|
2098 |
+
"instruction": "你能给我这个分子的AMES吗?",
|
2099 |
+
"input": "CCOC(=O)c1c(C(F)(F)F)[n+]([O-])c2ccc(OC)cc2[n+]1[O-]",
|
2100 |
+
"output": "有"
|
2101 |
+
},
|
2102 |
+
{
|
2103 |
+
"instruction": "这个分子的AMES是多少?",
|
2104 |
+
"input": "CCOC(=O)c1c(C(F)(F)F)[n+]([O-])c2ccc(C)cc2[n+]1[O-]",
|
2105 |
+
"output": "有"
|
2106 |
+
},
|
2107 |
+
{
|
2108 |
+
"instruction": "请给我这个分子的毒性。",
|
2109 |
+
"input": "CCOC(=O)[C@@H]1O[C@]1(C)c1ccccc1",
|
2110 |
+
"output": "无"
|
2111 |
+
},
|
2112 |
+
{
|
2113 |
+
"instruction": "我想知道这个分子的AMES,你能提供吗?",
|
2114 |
+
"input": "CCOC(=O)N(CC)N=O",
|
2115 |
+
"output": "有"
|
2116 |
+
},
|
2117 |
+
{
|
2118 |
+
"instruction": "请提供该分子的AMES。",
|
2119 |
+
"input": "CCOC(=O)N(C)N=O",
|
2120 |
+
"output": "有"
|
2121 |
+
},
|
2122 |
+
{
|
2123 |
+
"instruction": "请提供该分子的AMES。",
|
2124 |
+
"input": "CCOC(=O)COc1cc(-c2nn(C)c(OC(F)F)c2Cl)c(F)cc1Cl",
|
2125 |
+
"output": "无"
|
2126 |
+
},
|
2127 |
+
{
|
2128 |
+
"instruction": "我对这个分子的AMES很感兴趣,你能告诉我它是什么吗?",
|
2129 |
+
"input": "CCOC(=O)C(Cl)Cc1cc(-n2nc(C)n(C(F)F)c2=O)c(F)cc1Cl",
|
2130 |
+
"output": "无"
|
2131 |
+
},
|
2132 |
+
{
|
2133 |
+
"instruction": "你能给我这个分子的致突变性吗?",
|
2134 |
+
"input": "CCOC(=O)C(=NNc1ccc(-c2ccc(NN=C(C(=O)OCC)C(=O)OCC)c(OC)c2)cc1OC)C(=O)OCC",
|
2135 |
+
"output": "无"
|
2136 |
+
},
|
2137 |
+
{
|
2138 |
+
"instruction": "这个分子的毒性是多少?",
|
2139 |
+
"input": "CCN=c1cc2oc3cc(NCC)c(C)cc3c(-c3ccccc3C(=O)OCC)c-2cc1C",
|
2140 |
+
"output": "无"
|
2141 |
+
},
|
2142 |
+
{
|
2143 |
+
"instruction": "请提供该分子的AMES。",
|
2144 |
+
"input": "CCN(CCO)c1ccc(NCCO)c([N+](=O)[O-])c1",
|
2145 |
+
"output": "有"
|
2146 |
+
},
|
2147 |
+
{
|
2148 |
+
"instruction": "这个分子的毒性是多少?",
|
2149 |
+
"input": "CCN(CC)CCn1nc2ccc(CO)c3c2c1Sc1cc(Cl)ccc1-3",
|
2150 |
+
"output": "有"
|
2151 |
+
},
|
2152 |
+
{
|
2153 |
+
"instruction": "我对这个分子的AMES很感兴趣,你能告诉我它是什么吗?",
|
2154 |
+
"input": "CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12",
|
2155 |
+
"output": "有"
|
2156 |
+
},
|
2157 |
+
{
|
2158 |
+
"instruction": "请提供该分子的AMES。",
|
2159 |
+
"input": "CCCn1cc2c3c(cccc31)C1C=C(C)CN(C)C1C2",
|
2160 |
+
"output": "有"
|
2161 |
+
},
|
2162 |
+
{
|
2163 |
+
"instruction": "这个分子的毒性是多少?",
|
2164 |
+
"input": "CCCOS(C)(=O)=O",
|
2165 |
+
"output": "有"
|
2166 |
+
},
|
2167 |
+
{
|
2168 |
+
"instruction": "请提供该分子的毒性值。",
|
2169 |
+
"input": "CCCN(CC)CC1COC2(CCC(C(C)(C)C)CC2)O1",
|
2170 |
+
"output": "无"
|
2171 |
+
},
|
2172 |
+
{
|
2173 |
+
"instruction": "你能给我这个分子的致突变性吗?",
|
2174 |
+
"input": "CCCCON(OC(C)=O)C(=O)c1ccc(Br)cc1",
|
2175 |
+
"output": "有"
|
2176 |
+
},
|
2177 |
+
{
|
2178 |
+
"instruction": "你能给我这个分子的毒性吗?",
|
2179 |
+
"input": "CCCCOC(=O)c1ccccc1N",
|
2180 |
+
"output": "无"
|
2181 |
+
},
|
2182 |
+
{
|
2183 |
+
"instruction": "我对这个分子的毒性很感兴趣,你能告诉我它是多少吗?",
|
2184 |
+
"input": "CCCCN(CCCO)N=O",
|
2185 |
+
"output": "有"
|
2186 |
+
},
|
2187 |
+
{
|
2188 |
+
"instruction": "请提供该分子的致突变性。",
|
2189 |
+
"input": "CCCCN(CCC(C)O)N=O",
|
2190 |
+
"output": "有"
|
2191 |
+
},
|
2192 |
+
{
|
2193 |
+
"instruction": "这个分子的AMES是多少?",
|
2194 |
+
"input": "CCCCCCN(N=O)C(N)=O",
|
2195 |
+
"output": "有"
|
2196 |
+
},
|
2197 |
+
{
|
2198 |
+
"instruction": "我对这个分子的AMES很感兴趣,你能告诉我它是多少吗?",
|
2199 |
+
"input": "CCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1",
|
2200 |
+
"output": "无"
|
2201 |
+
},
|
2202 |
+
{
|
2203 |
+
"instruction": "请给我这个分子的AMES。",
|
2204 |
+
"input": "CCCCCCCCCCCCCCC1CO1",
|
2205 |
+
"output": "无"
|
2206 |
+
},
|
2207 |
+
{
|
2208 |
+
"instruction": "请提供该分子的毒性。",
|
2209 |
+
"input": "CCCCCCCCCCCC(=O)O",
|
2210 |
+
"output": "无"
|
2211 |
+
},
|
2212 |
+
{
|
2213 |
+
"instruction": "请给我提供这个分子的毒性值。",
|
2214 |
+
"input": "CCCCCCCCCCC1CO1",
|
2215 |
+
"output": "无"
|
2216 |
+
},
|
2217 |
+
{
|
2218 |
+
"instruction": "请提供该分子的毒性值。",
|
2219 |
+
"input": "CCCCC(CC)COCCCN",
|
2220 |
+
"output": "无"
|
2221 |
+
},
|
2222 |
+
{
|
2223 |
+
"instruction": "请给我提供这个分子的毒性值。",
|
2224 |
+
"input": "CCCC(=O)c1cnn(-c2cnc(N)cn2)c1C",
|
2225 |
+
"output": "无"
|
2226 |
+
},
|
2227 |
+
{
|
2228 |
+
"instruction": "请给我提供这个分子的AMES。",
|
2229 |
+
"input": "CCCC(=O)Nc1snc2ccc(Cl)cc12",
|
2230 |
+
"output": "无"
|
2231 |
+
},
|
2232 |
+
{
|
2233 |
+
"instruction": "这个分子的致突变性是多少?",
|
2234 |
+
"input": "CCC(C)COC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F",
|
2235 |
+
"output": "无"
|
2236 |
+
},
|
2237 |
+
{
|
2238 |
+
"instruction": "请给我这个分子的毒性。",
|
2239 |
+
"input": "CC1Cc2c(Cl)cc(C(=O)NC(Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1",
|
2240 |
+
"output": "无"
|
2241 |
+
},
|
2242 |
+
{
|
2243 |
+
"instruction": "请提供该分子的致突变性。",
|
2244 |
+
"input": "CC1CCc2c1ccc1c2ccc2ccccc21",
|
2245 |
+
"output": "有"
|
2246 |
+
},
|
2247 |
+
{
|
2248 |
+
"instruction": "我对这个分子的致突变性很感兴趣,你能告诉我它是什么吗?",
|
2249 |
+
"input": "CC1CCN(N=O)CC1",
|
2250 |
+
"output": "有"
|
2251 |
+
},
|
2252 |
+
{
|
2253 |
+
"instruction": "你能告诉我这个分子的AMES值吗?",
|
2254 |
+
"input": "CC1CCCC(=O)CCCC=Cc2cc(O)cc(O)c2C(=O)O1",
|
2255 |
+
"output": "无"
|
2256 |
+
},
|
2257 |
+
{
|
2258 |
+
"instruction": "这个分子的毒性是多少?",
|
2259 |
+
"input": "CC1=CCC2C(C)=CCC(C(C)(C)C)C2C1",
|
2260 |
+
"output": "无"
|
2261 |
+
},
|
2262 |
+
{
|
2263 |
+
"instruction": "我想知道这个分子的致突变性,你能提供吗?",
|
2264 |
+
"input": "CC1=CC(O)C2CC1C2(C)C",
|
2265 |
+
"output": "无"
|
2266 |
+
},
|
2267 |
+
{
|
2268 |
+
"instruction": "请给我这个分子的AMES。",
|
2269 |
+
"input": "CC12OOC1(CO)Oc1ccccc12",
|
2270 |
+
"output": "无"
|
2271 |
+
},
|
2272 |
+
{
|
2273 |
+
"instruction": "我对这个分子的致突变性很感兴趣,你能告诉我它是什么吗?",
|
2274 |
+
"input": "CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O",
|
2275 |
+
"output": "无"
|
2276 |
+
},
|
2277 |
+
{
|
2278 |
+
"instruction": "这个分子的毒性是多少?",
|
2279 |
+
"input": "CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(=O)O",
|
2280 |
+
"output": "无"
|
2281 |
+
},
|
2282 |
+
{
|
2283 |
+
"instruction": "我想知道这个分子的毒性,你能提供吗?",
|
2284 |
+
"input": "CC/C=C/C=C/C=C/C=C/C=O",
|
2285 |
+
"output": "无"
|
2286 |
+
},
|
2287 |
+
{
|
2288 |
+
"instruction": "我想知道这个分子的毒性,你能提供吗?",
|
2289 |
+
"input": "CC(OP(C)(=O)F)C(C)(C)C",
|
2290 |
+
"output": "无"
|
2291 |
+
},
|
2292 |
+
{
|
2293 |
+
"instruction": "请给我提供这个分子的AMES。",
|
2294 |
+
"input": "CC(Cl)CO",
|
2295 |
+
"output": "有"
|
2296 |
+
},
|
2297 |
+
{
|
2298 |
+
"instruction": "这个分子的致突变性是多少?",
|
2299 |
+
"input": "CC(C)[C@@H]1CC[C@@H](C)CC1=O",
|
2300 |
+
"output": "有"
|
2301 |
+
},
|
2302 |
+
{
|
2303 |
+
"instruction": "请提供该分子的致突变性。",
|
2304 |
+
"input": "CC(C)C1C2CCC1c1c(NC(=O)c3cn(C)nc3C(F)F)cccc12",
|
2305 |
+
"output": "无"
|
2306 |
+
},
|
2307 |
+
{
|
2308 |
+
"instruction": "这个分子的致突变性是多少?",
|
2309 |
+
"input": "CC(C)(C)OC(=O)CN=[N+]=[N-]",
|
2310 |
+
"output": "有"
|
2311 |
+
},
|
2312 |
+
{
|
2313 |
+
"instruction": "我想知道这个分子的AMES,你能提供吗?",
|
2314 |
+
"input": "CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2",
|
2315 |
+
"output": "无"
|
2316 |
+
},
|
2317 |
+
{
|
2318 |
+
"instruction": "这个分子的毒性是多少?",
|
2319 |
+
"input": "CC(C(O)CC(=O)O)C(O)(Cn1cncn1)c1ccc(Cl)cc1",
|
2320 |
+
"output": "无"
|
2321 |
+
},
|
2322 |
+
{
|
2323 |
+
"instruction": "请给我提供这个分子的AMES。",
|
2324 |
+
"input": "CC(Br)c1ccccc1",
|
2325 |
+
"output": "无"
|
2326 |
+
},
|
2327 |
+
{
|
2328 |
+
"instruction": "请给我提供这个分子的AMES。",
|
2329 |
+
"input": "CC(Br)C(=O)NCc1ccc(Cl)cc1",
|
2330 |
+
"output": "有"
|
2331 |
+
},
|
2332 |
+
{
|
2333 |
+
"instruction": "你能告诉我这个分子致突变性吗?",
|
2334 |
+
"input": "CC(Br)(CO)CBr",
|
2335 |
+
"output": "无"
|
2336 |
+
},
|
2337 |
+
{
|
2338 |
+
"instruction": "这个分子的致突变性是多少?",
|
2339 |
+
"input": "CC(=O)n1ncc(Cl)c(Cl)c1=O",
|
2340 |
+
"output": "无"
|
2341 |
+
},
|
2342 |
+
{
|
2343 |
+
"instruction": "这个分子的毒性是多少?",
|
2344 |
+
"input": "CC(=O)c1cc2c(cc1C)C(C)(C)C(C)CC2(C)C",
|
2345 |
+
"output": "无"
|
2346 |
+
},
|
2347 |
+
{
|
2348 |
+
"instruction": "这个分子的致突变性是多少?",
|
2349 |
+
"input": "CC(=O)c1c([N+](=O)[O-])cc([N+](=O)[O-])n1[N+](=O)[O-]",
|
2350 |
+
"output": "有"
|
2351 |
+
},
|
2352 |
+
{
|
2353 |
+
"instruction": "这个分子的AMES是多少?",
|
2354 |
+
"input": "CC(=O)OC1C(=O)OC2C(OC(C)=O)C(=O)OC12",
|
2355 |
+
"output": "无"
|
2356 |
+
},
|
2357 |
+
{
|
2358 |
+
"instruction": "请提供该分子的AMES值。",
|
2359 |
+
"input": "CC(=O)Nc1ccc(C)c(N=[N+]([O-])c2cc(NC(C)=O)ccc2C)c1",
|
2360 |
+
"output": "无"
|
2361 |
+
},
|
2362 |
+
{
|
2363 |
+
"instruction": "请给我提供这个分子的毒性。",
|
2364 |
+
"input": "CC(=O)Nc1ccc(/C=C/C(=O)c2ccccc2)cc1",
|
2365 |
+
"output": "有"
|
2366 |
+
},
|
2367 |
+
{
|
2368 |
+
"instruction": "我需要知道这个分子的致突变性,你能提供吗?",
|
2369 |
+
"input": "CC(=O)Nc1ccc(-c2ccc(N)cc2)cc1",
|
2370 |
+
"output": "有"
|
2371 |
+
},
|
2372 |
+
{
|
2373 |
+
"instruction": "我想知道这个分子的毒性,你能提供吗?",
|
2374 |
+
"input": "CC(=O)Nc1cc2c(cc1OC(C)=O)-c1ccccc1C2",
|
2375 |
+
"output": "无"
|
2376 |
+
},
|
2377 |
+
{
|
2378 |
+
"instruction": "这个分子的AMES是多少?",
|
2379 |
+
"input": "CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C",
|
2380 |
+
"output": "无"
|
2381 |
+
},
|
2382 |
+
{
|
2383 |
+
"instruction": "这个分子的致突变性是多少?",
|
2384 |
+
"input": "CC(=O)C(N=Nc1ccc(-c2ccc(N=NC(C(C)=O)C(=O)Nc3ccccc3)c(Cl)c2)cc1Cl)C(=O)Nc1ccccc1",
|
2385 |
+
"output": "无"
|
2386 |
+
},
|
2387 |
+
{
|
2388 |
+
"instruction": "请提供该分子的毒性。",
|
2389 |
+
"input": "CC(=N)S",
|
2390 |
+
"output": "无"
|
2391 |
+
},
|
2392 |
+
{
|
2393 |
+
"instruction": "这个分子的AMES是多少?",
|
2394 |
+
"input": "CC(=C\\C1=CCOC1=O)/C=C(C)/C=C/C=C(\\C)C(=O)C12OC1C(O)(CCO)NC2=O",
|
2395 |
+
"output": "有"
|
2396 |
+
},
|
2397 |
+
{
|
2398 |
+
"instruction": "这个分子的毒性是多少?",
|
2399 |
+
"input": "CC#N",
|
2400 |
+
"output": "无"
|
2401 |
+
},
|
2402 |
+
{
|
2403 |
+
"instruction": "你能给我这个分子的毒性吗?",
|
2404 |
+
"input": "C=CC(=O)OCCCCCOC(=O)C=C",
|
2405 |
+
"output": "无"
|
2406 |
+
},
|
2407 |
+
{
|
2408 |
+
"instruction": "我想知道这个分子的AMES,你能提供吗?",
|
2409 |
+
"input": "C=CC(=O)N(C)CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(C3CC3)cc2F)c1C",
|
2410 |
+
"output": "无"
|
2411 |
+
},
|
2412 |
+
{
|
2413 |
+
"instruction": "你能给我这个分子的毒性吗?",
|
2414 |
+
"input": "C=C1C(=O)OC2C1CCC(C)C1=CCC(=O)C12C",
|
2415 |
+
"output": "无"
|
2416 |
+
},
|
2417 |
+
{
|
2418 |
+
"instruction": "这个分子的致突变性是多少?",
|
2419 |
+
"input": "C=C(F)F",
|
2420 |
+
"output": "有"
|
2421 |
+
},
|
2422 |
+
{
|
2423 |
+
"instruction": "你能给我这个分子的AMES吗?",
|
2424 |
+
"input": "C=C(C)[C@H]1CC=C(C)[C@@H](OC(C)=O)C1",
|
2425 |
+
"output": "无"
|
2426 |
+
},
|
2427 |
+
{
|
2428 |
+
"instruction": "你能告诉我这个分子的AMES吗?",
|
2429 |
+
"input": "C=C(C)[C@H]1C=C2C(COC(=O)CCCCCCCCCCCCCCCCC)=CC=C2C(C)=CC1",
|
2430 |
+
"output": "有"
|
2431 |
+
},
|
2432 |
+
{
|
2433 |
+
"instruction": "我想知道这个分子的AMES,你能提供吗?",
|
2434 |
+
"input": "C=C(C)C(=O)OCCOC(=O)NCCC(C)CC(C)(C)CNC(=O)OCCOC(=O)C(=C)C",
|
2435 |
+
"output": "无"
|
2436 |
+
},
|
2437 |
+
{
|
2438 |
+
"instruction": "这个分子的致突变性是多少?",
|
2439 |
+
"input": "C=C(C)C(=O)OCCO",
|
2440 |
+
"output": "无"
|
2441 |
+
},
|
2442 |
+
{
|
2443 |
+
"instruction": "请给我提供这个分子的AMES。",
|
2444 |
+
"input": "C=C(C)C(=O)OCCCCCCCC",
|
2445 |
+
"output": "无"
|
2446 |
+
},
|
2447 |
+
{
|
2448 |
+
"instruction": "我想知道这个分子的AMES,你能提供吗?",
|
2449 |
+
"input": "C=C(C)C(=O)N[N+](C)(C)CC(C)O",
|
2450 |
+
"output": "无"
|
2451 |
+
},
|
2452 |
+
{
|
2453 |
+
"instruction": "请提供该分子的毒性。",
|
2454 |
+
"input": "C1C[C@H](O[C@H]2CC[C@@H]3O[C@@H]32)[C@H]2O[C@@H]12",
|
2455 |
+
"output": "无"
|
2456 |
+
},
|
2457 |
+
{
|
2458 |
+
"instruction": "我想知道这个分子的致突变性,你能提供吗?",
|
2459 |
+
"input": "C1CCC(NC2CCCCC2)CC1",
|
2460 |
+
"output": "无"
|
2461 |
+
},
|
2462 |
+
{
|
2463 |
+
"instruction": "你能给我这个分子的致突变性吗?",
|
2464 |
+
"input": "C1=CC2OC2C=C1",
|
2465 |
+
"output": "有"
|
2466 |
+
},
|
2467 |
+
{
|
2468 |
+
"instruction": "我对这个分子的毒性很感兴趣,你能告诉我它是什么吗?",
|
2469 |
+
"input": "C1=CC2CCCCC2c2ccccc21",
|
2470 |
+
"output": "有"
|
2471 |
+
},
|
2472 |
+
{
|
2473 |
+
"instruction": "我想知道这个分子的AMES,你能提供吗?",
|
2474 |
+
"input": "C/C=C/C=C/CCCCCCCO",
|
2475 |
+
"output": "无"
|
2476 |
+
},
|
2477 |
+
{
|
2478 |
+
"instruction": "请提供该分子的AMES。",
|
2479 |
+
"input": "C/C=C(C(=C/C)/c1ccc(O)cc1)\\c1ccc(O)cc1",
|
2480 |
+
"output": "无"
|
2481 |
+
},
|
2482 |
+
{
|
2483 |
+
"instruction": "我需要知道这个分子的AMES,你能提供吗?",
|
2484 |
+
"input": "C/C(C=O)=C(/Cl)C(=O)O",
|
2485 |
+
"output": "有"
|
2486 |
+
},
|
2487 |
+
{
|
2488 |
+
"instruction": "你能给我这个分子的AMES?",
|
2489 |
+
"input": "BrCc1ccc2c(c1)-c1cccc3cccc-2c13",
|
2490 |
+
"output": "有"
|
2491 |
+
},
|
2492 |
+
{
|
2493 |
+
"instruction": "我想知道这个分子的致突变性,你能提供吗?",
|
2494 |
+
"input": "BrCC1CO1",
|
2495 |
+
"output": "有"
|
2496 |
+
},
|
2497 |
+
{
|
2498 |
+
"instruction": "我想知道这个分子的毒性,你能提供吗?",
|
2499 |
+
"input": "BrCBr",
|
2500 |
+
"output": "有"
|
2501 |
+
}
|
2502 |
+
]
|
sft/test/admet_cls_en.json
ADDED
The diff for this file is too large to render.
See raw diff
|
|
sft/test/admet_extract.json
ADDED
@@ -0,0 +1,2502 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
1 |
+
[
|
2 |
+
{
|
3 |
+
"instruction": "这个分子的官能团是多少?",
|
4 |
+
"input": "CCCCCCCCCCCCCCCCCCC=CC(O)C(O)C(O)CO",
|
5 |
+
"output": "醇-O"
|
6 |
+
},
|
7 |
+
{
|
8 |
+
"instruction": "这个分子的官能团是多少?",
|
9 |
+
"input": "CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(O)c3ccccc3)C(C)=C1C2(C)C",
|
10 |
+
"output": "酮-CC(C)=O,酯-COC(C)=O,醚-COC,醇-O,酯-CC(=O)OC"
|
11 |
+
},
|
12 |
+
{
|
13 |
+
"instruction": "你能告诉我这个分子官能团吗?",
|
14 |
+
"input": "CC1CCC(C(C)C2CCC3C4CC(=O)C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC23C)NC1",
|
15 |
+
"output": "酮-CC(C)=O,醚-COC,胺-N,醇-O"
|
16 |
+
},
|
17 |
+
{
|
18 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
19 |
+
"input": "COc1c(OC2OC(CO)C(O)C(O)C2O)cc(O)c2c(=O)cc(-c3ccccc3)oc12",
|
20 |
+
"output": "醚-COC,醚-COC,醇-O"
|
21 |
+
},
|
22 |
+
{
|
23 |
+
"instruction": "你能给我这个分子的官能团?",
|
24 |
+
"input": "CC(=O)OCC12C(O)C(OC(C)=O)C3OC(=O)C(C)C(C)c4ccncc4C(=O)OCC4(C)OC1(C(OC(C)=O)C4C(OC(C)=O)C2OC(C)=O)C3(C)O",
|
25 |
+
"output": "酯-CC(=O)OC,醚-COC,酯-COC(C)=O,醇-O"
|
26 |
+
},
|
27 |
+
{
|
28 |
+
"instruction": "请提供该分子的官能团。",
|
29 |
+
"input": "COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CC(O)C5(C)C4CCC3(C)C2C1C",
|
30 |
+
"output": "醚-COC,醇-O"
|
31 |
+
},
|
32 |
+
{
|
33 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
34 |
+
"input": "COc1cc(-c2c(O)c(C=O)cc3cc(OC)c(O)cc23)ccc1O",
|
35 |
+
"output": "醚-COC,醛-CC=O,醇-O"
|
36 |
+
},
|
37 |
+
{
|
38 |
+
"instruction": "我对这个分子的官能团很感兴趣,你能告诉我它是什么吗?",
|
39 |
+
"input": "O=c1cc(-c2ccc(O)cc2)oc2c(C3OC(COC4OC(O)C(O)C(O)C4O)C(O)C(O)C3O)c(O)cc(O)c12",
|
40 |
+
"output": "醚-COC,醇-O"
|
41 |
+
},
|
42 |
+
{
|
43 |
+
"instruction": "这个分子的官能团是多少?",
|
44 |
+
"input": "C=CC(C)(O)CCC1(C)C2=C(C(OC(C)=O)C(OC(C)=O)C1C)C(C)(C)CCC2",
|
45 |
+
"output": "醚-COC,酯-COC(C)=O,醇-O"
|
46 |
+
},
|
47 |
+
{
|
48 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
49 |
+
"input": "CC(=O)Oc1c(C)c(OC2OC(CO)C(O)C(O)C2O)c(C)c2oc(C)cc(=O)c12",
|
50 |
+
"output": "醚-COC,醚-COC,醇-O,酯-COC(C)=O,醚-COC"
|
51 |
+
},
|
52 |
+
{
|
53 |
+
"instruction": "请给我提供这个分子的官能团值。",
|
54 |
+
"input": "CC(C)=CCc1c(O)cc(O)c2c(=O)c(-c3ccc4c(c3)C=CC(C)(C)O4)coc12",
|
55 |
+
"output": "醚-COC,醇-O"
|
56 |
+
},
|
57 |
+
{
|
58 |
+
"instruction": "你能给我这个分子的官能团?",
|
59 |
+
"input": "COC1=C(OC)C(=O)C(CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)=C(C)C1=O",
|
60 |
+
"output": "酮-CC(C)=O,醚-COC"
|
61 |
+
},
|
62 |
+
{
|
63 |
+
"instruction": "请提供该分子的官能团值。",
|
64 |
+
"input": "CC(=O)c1c(OC2OC(CO)C(O)C(O)C2O)ccc(OC2OC(CO)C(O)C(O)C2O)c1CCc1ccc(O)cc1",
|
65 |
+
"output": "酮-CC(C)=O,醚-COC,醚-COC,醇-O"
|
66 |
+
},
|
67 |
+
{
|
68 |
+
"instruction": "你能告诉我这个分子的官能团吗?",
|
69 |
+
"input": "COc1ccc2c(c1)C(=O)c1c(NCCc3ccc(O)cc3)c(OC)c(OC)c3ccnc-2c13",
|
70 |
+
"output": "醚-COC,酮-CC(C)=O,胺-N,醇-O"
|
71 |
+
},
|
72 |
+
{
|
73 |
+
"instruction": "你能给我这个分子的官能团吗?",
|
74 |
+
"input": "CC(=O)OC1CC2C3(C)C=CC(=O)C(C)(C)C3CC(OC(C)=O)C2(C)C2=CCC(C3=CC(=O)OC3O)C21C",
|
75 |
+
"output": "酮-CC(C)=O,酯-CC(=O)OC,酯-COC(C)=O,醚-COC,醇-O"
|
76 |
+
},
|
77 |
+
{
|
78 |
+
"instruction": "请提供该分子的官能团。",
|
79 |
+
"input": "C=C1C2=CCC(c3ccoc3)C2(C)C(O)C(OC(C)=O)C1C1(C)C=CC(=O)C(C)(C)C1CC(=O)OC",
|
80 |
+
"output": "酮-CC(C)=O,醚-COC,酯-COC(C)=O,醇-O"
|
81 |
+
},
|
82 |
+
{
|
83 |
+
"instruction": "这个分子的官能团是多少?",
|
84 |
+
"input": "O=C(O)c1cc(O)c(OC2OC(COS(=O)(=O)[O-])C(O)C(O)C2O)c(O)c1",
|
85 |
+
"output": "羧酸-O=CO,醚-COC,醚-COC,醇-O"
|
86 |
+
},
|
87 |
+
{
|
88 |
+
"instruction": "这个分子的官能团是多少?",
|
89 |
+
"input": "COc1cc2c(OC3OCC(O)(CO)C3O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3",
|
90 |
+
"output": "醚-COC,酯-CC(=O)OC,醚-COC,醇-O"
|
91 |
+
},
|
92 |
+
{
|
93 |
+
"instruction": "请提供该分子的官能团。",
|
94 |
+
"input": "NC(N)=NCCCC1NCCc2c1[nH]c1ccccc21",
|
95 |
+
"output": "胺-N"
|
96 |
+
},
|
97 |
+
{
|
98 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
99 |
+
"input": "CC(=O)OCC12C(OC(=O)c3ccccc3)C(OC(C)=O)CC(C)(O)C13OC(C)(C)C(C(OC(C)=O)C2OC(=O)c1ccccc1)C3OC(C)=O",
|
100 |
+
"output": "酯-CC(=O)OC,醚-COC,酯-COC(C)=O,醇-O"
|
101 |
+
},
|
102 |
+
{
|
103 |
+
"instruction": "我需要知道这个分子的官能团,你能提供吗?",
|
104 |
+
"input": "COC(=O)CC(CC(=O)OC)C(=O)OC",
|
105 |
+
"output": "醚-COC,酯-COC(C)=O"
|
106 |
+
},
|
107 |
+
{
|
108 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
109 |
+
"input": "CC(CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C)C(C)C(=O)O",
|
110 |
+
"output": "羧酸-O=CO,醇-O"
|
111 |
+
},
|
112 |
+
{
|
113 |
+
"instruction": "请提供该分子的官能团。",
|
114 |
+
"input": "CC(CCC1(O)OC2CC3C4CCC5CC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O",
|
115 |
+
"output": "醚-COC,醇-O"
|
116 |
+
},
|
117 |
+
{
|
118 |
+
"instruction": "请给我提供这个分子的官能团。",
|
119 |
+
"input": "C#CC1(O)CCC2C3CCc4cc(O)ccc4C3CCC21C.C#CC1(OC(C)=O)CCC2C3CCC4=CC(=NO)CCC4C3CCC21CC",
|
120 |
+
"output": "醚-COC,酯-COC(C)=O,醇-O"
|
121 |
+
},
|
122 |
+
{
|
123 |
+
"instruction": "你能告诉我这个分子的官能团吗?",
|
124 |
+
"input": "CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)C(C)C4=O)OC(C)(C)C=C3",
|
125 |
+
"output": "酮-CC(C)=O,醚-COC"
|
126 |
+
},
|
127 |
+
{
|
128 |
+
"instruction": "请提供该分子的官能团。",
|
129 |
+
"input": "COc1cc(OC)c2ccc(=O)oc2c1C=CC(C)=O",
|
130 |
+
"output": "醚-COC,酮-CC(C)=O"
|
131 |
+
},
|
132 |
+
{
|
133 |
+
"instruction": "请提供该分子的官能团值。",
|
134 |
+
"input": "CC1=CCC2(C)CC=CC(C)(C)C23CC13",
|
135 |
+
"output": ""
|
136 |
+
},
|
137 |
+
{
|
138 |
+
"instruction": "这个分子的官能团是多少?",
|
139 |
+
"input": "CC1=CC(=O)CC(C)(C)C12CCC(C)O2",
|
140 |
+
"output": "酮-CC(C)=O,醚-COC"
|
141 |
+
},
|
142 |
+
{
|
143 |
+
"instruction": "你能告诉我这个分子的官能团值吗?",
|
144 |
+
"input": "CC=C(C)C(=O)OC1C(OC(C)=O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C=O)C5CCC43C)C2CC1(C)C",
|
145 |
+
"output": "酯-CC(=O)OC,酯-COC(C)=O,醚-COC,醇-O,羧酸-O=CO,醛-CC=O"
|
146 |
+
},
|
147 |
+
{
|
148 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
149 |
+
"input": "CCCCCc1cc2c(c(O)c1C(=O)O)C1C=C(C)CCC1C(C)(C)O2",
|
150 |
+
"output": "羧酸-O=CO,醚-COC,醇-O"
|
151 |
+
},
|
152 |
+
{
|
153 |
+
"instruction": "请提供该分子的官能团。",
|
154 |
+
"input": "COc1cc(CC2c3cc(OC)c4c(c3CCN2C)OCO4)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)c(OC)c4c2C(C3)N(C)CC4)cc1OC",
|
155 |
+
"output": "醚-COC,醚-COC,胺-N"
|
156 |
+
},
|
157 |
+
{
|
158 |
+
"instruction": "请提供该分子的官能团。",
|
159 |
+
"input": "[Tl]",
|
160 |
+
"output": ""
|
161 |
+
},
|
162 |
+
{
|
163 |
+
"instruction": "请提供该分子的官能团。",
|
164 |
+
"input": "COc1cc2c(cc1O)C(Cc1cc(OC)c(OC)cc1Oc1cc3c(cc1OC)-c1c(OC)c(OC)c(OC)c4c1C(C3)N(C)CC4)N(C)CC2",
|
165 |
+
"output": "醚-COC,醚-COC,胺-N,醇-O"
|
166 |
+
},
|
167 |
+
{
|
168 |
+
"instruction": "请给我提供这个分子的官能团值。",
|
169 |
+
"input": "c1cncc(-c2ncc(-c3ccc4c(c3)OCO4)o2)c1",
|
170 |
+
"output": "醚-COC"
|
171 |
+
},
|
172 |
+
{
|
173 |
+
"instruction": "你能给我这个分子的官能团吗?",
|
174 |
+
"input": "CCCc1ccc(O)c(-c2cc(CCC)ccc2O)c1",
|
175 |
+
"output": "醇-O"
|
176 |
+
},
|
177 |
+
{
|
178 |
+
"instruction": "你能告诉我这个分子的官能团值吗?",
|
179 |
+
"input": "CC1OC(OC2C(OC3C(O)C(C(=O)O)OC(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CC(O)C7(CO)C(O)CC56C)C4(C)C)C3OC3OC(CO)C(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O",
|
180 |
+
"output": "羧酸-O=CO,醚-COC,醇-O"
|
181 |
+
},
|
182 |
+
{
|
183 |
+
"instruction": "请给我提供这个分子的官能团值。",
|
184 |
+
"input": "COc1cc2c(cc1OC)C1(O)C(=O)c3ccc4c(c3OC1CO2)C=CC(C)(C)O4",
|
185 |
+
"output": "酮-CC(C)=O,醚-COC,醇-O"
|
186 |
+
},
|
187 |
+
{
|
188 |
+
"instruction": "请给我这个分子的官能团。",
|
189 |
+
"input": "CCC(C)C(=O)OC(C)C1(O)CCC2(O)C3CCC4CC(OC5CC(O)C(OC6CC(OC)C(OC7CC(OC)C(O)C(C)O7)C(C)O6)C(C)O5)CCC4(C)C3CC(OC(C)=O)C12C",
|
190 |
+
"output": "醚-COC,酯-COC(C)=O,醇-O"
|
191 |
+
},
|
192 |
+
{
|
193 |
+
"instruction": "你能给我这个分子的官能团?",
|
194 |
+
"input": "CCC(C)C(=O)OC(C)C1(O)CCC2(O)C3CCC4CC(OC5CC(OC)C(OC6CC(OC)C(OC7OC(C)C(OC8OC(CO)C(O)C(O)C8O)C(OC)C7O)C(C)O6)C(C)O5)CCC4(C)C3CC(OC(C)=O)C12C",
|
195 |
+
"output": "醚-COC,酯-COC(C)=O,醇-O"
|
196 |
+
},
|
197 |
+
{
|
198 |
+
"instruction": "这个分子的官能团是多少?",
|
199 |
+
"input": "C=C1C(OC(C)=O)CCC2(C)CC(=O)C3=C(C)C(OC(C)=O)CC(CC12)C3(C)C",
|
200 |
+
"output": "酮-CC(C)=O,醚-COC,酯-COC(C)=O"
|
201 |
+
},
|
202 |
+
{
|
203 |
+
"instruction": "这个分子的官能团是多少?",
|
204 |
+
"input": "CC(=O)OC1CC2(C(C)(C)O)C(=C1C)C(OC(=O)c1ccccc1)C(OC(=O)c1ccccc1)C1(C)C(OC(C)=O)CC3OCC3(OC(C)=O)C1C2OC(=O)c1ccccc1",
|
205 |
+
"output": "酯-CC(=O)OC,醚-COC,酯-COC(C)=O,醇-O"
|
206 |
+
},
|
207 |
+
{
|
208 |
+
"instruction": "这个分子的官能团是多少?",
|
209 |
+
"input": "CC(=O)OC1C2=C(C)C(O)CC2(C(C)(C)O)C(OC(C)=O)C2C3(OC(C)=O)COC3CC(OC(C)=O)C2(C)C1OC(C)=O",
|
210 |
+
"output": "醚-COC,酯-COC(C)=O,醇-O"
|
211 |
+
},
|
212 |
+
{
|
213 |
+
"instruction": "请给我这个分子的官能团。",
|
214 |
+
"input": "CCCCCCCCCCCCCOS(=O)OCCCC",
|
215 |
+
"output": ""
|
216 |
+
},
|
217 |
+
{
|
218 |
+
"instruction": "你能给我这个分子的官能团?",
|
219 |
+
"input": "Oc1ccc2ccccc2c1N=Nc1ccc(N=Nc2ccccc2)cc1",
|
220 |
+
"output": "醇-O"
|
221 |
+
},
|
222 |
+
{
|
223 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
224 |
+
"input": "C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC1NCCc2c1[nH]c1ccccc21",
|
225 |
+
"output": "羧酸-O=CO,醚-COC,胺-N,醇-O"
|
226 |
+
},
|
227 |
+
{
|
228 |
+
"instruction": "请提供该分子的官能团。",
|
229 |
+
"input": "O=C1C=CCC(C=CCC(O)CC(O)CCc2ccccc2)O1",
|
230 |
+
"output": "醚-COC,醇-O,酯-CC(=O)OC"
|
231 |
+
},
|
232 |
+
{
|
233 |
+
"instruction": "请提供该分子的官能团。",
|
234 |
+
"input": "COc1ccc(-c2cc(=O)c3c(O)c(-c4c(-c5ccc(OC)cc5)oc5cc(OC)cc(O)c5c4=O)c(OC)cc3o2)cc1",
|
235 |
+
"output": "醚-COC,醇-O"
|
236 |
+
},
|
237 |
+
{
|
238 |
+
"instruction": "你能告诉我这个分子官能团吗?",
|
239 |
+
"input": "O=c1cccc2n1CC1CCCN3CCCC2C13",
|
240 |
+
"output": "胺-N"
|
241 |
+
},
|
242 |
+
{
|
243 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
244 |
+
"input": "O=C1C=CCC2C3CCCN4CCCC(CN12)C34",
|
245 |
+
"output": "胺-N,酰胺-CC(N)=O"
|
246 |
+
},
|
247 |
+
{
|
248 |
+
"instruction": "我对这个分子的官能团很感兴趣,你能告诉我它是什么吗?",
|
249 |
+
"input": "CC1=C2C(O)C3OC3(C)C2C2OC(=O)C(C)=C2CC1",
|
250 |
+
"output": "醚-COC,醚-C1CO1,醇-O,酯-CC(=O)OC"
|
251 |
+
},
|
252 |
+
{
|
253 |
+
"instruction": "这个分子的官能团是多少?",
|
254 |
+
"input": "COc1cc(C2Oc3c(O)cc(C4CC(=O)c5c(O)cc(O)cc5O4)cc3C2CO)ccc1O",
|
255 |
+
"output": "酮-CC(C)=O,醚-COC,醇-O"
|
256 |
+
},
|
257 |
+
{
|
258 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
259 |
+
"input": "CC(C)=CCc1cc2c(cc1O)oc(=O)c1c3ccc(O)c(CC=C(C)C)c3oc21",
|
260 |
+
"output": "醇-O"
|
261 |
+
},
|
262 |
+
{
|
263 |
+
"instruction": "你能给我这个分子的官能团吗?",
|
264 |
+
"input": "O=c1c2cc(O)ccc2oc2cc(O)c(C3OC(COC4OCC(O)(CO)C4O)C(O)C(O)C3O)c(O)c12",
|
265 |
+
"output": "醚-COC,醇-O"
|
266 |
+
},
|
267 |
+
{
|
268 |
+
"instruction": "请给我这个分子的官能团。",
|
269 |
+
"input": "O=C(CCc1ccc(O)c(O)c1)CC(CCc1ccc(O)c(O)c1)S(=O)(=O)O",
|
270 |
+
"output": "酮-CC(C)=O,磺酸-O=S(=O)O,醇-O"
|
271 |
+
},
|
272 |
+
{
|
273 |
+
"instruction": "请给我这个分子的官能团。",
|
274 |
+
"input": "CC(C)=CCC(OC(=O)C=C(C)C)c1coc(-c2cc(O)ccc2O)c1",
|
275 |
+
"output": "醚-COC,醇-O,酯-CC(=O)OC"
|
276 |
+
},
|
277 |
+
{
|
278 |
+
"instruction": "你能告诉我这个分子的官能团值吗?",
|
279 |
+
"input": "CC(C)=CCC(OC(=O)CC(C)C)c1coc(-c2cc(O)ccc2O)c1",
|
280 |
+
"output": "醚-COC,酯-COC(C)=O,醇-O"
|
281 |
+
},
|
282 |
+
{
|
283 |
+
"instruction": "请给我这个分子的官能团。",
|
284 |
+
"input": "CC(C)=C1C=C2C(C)CCCC2(C)CC1",
|
285 |
+
"output": ""
|
286 |
+
},
|
287 |
+
{
|
288 |
+
"instruction": "这个分子的官能团是多少?",
|
289 |
+
"input": "COC1CCN2C3C=CC4=CC(=O)OC4(C3)C2C1",
|
290 |
+
"output": "醚-COC,胺-N,酯-CC(=O)OC"
|
291 |
+
},
|
292 |
+
{
|
293 |
+
"instruction": "请给我提供这个分子的官能团。",
|
294 |
+
"input": "CC1OC(OC2CCC3(C=O)C(CCC4C3C(O)CC3(C)C(C5=CC(=O)OC5)CCC43O)C2)C(O)C(O)C1O",
|
295 |
+
"output": "醚-COC,醛-CC=O,醇-O,酯-CC(=O)OC"
|
296 |
+
},
|
297 |
+
{
|
298 |
+
"instruction": "请提供该分子的官能团值。",
|
299 |
+
"input": "C=CCC1(C(C)CCC)C(=O)NC(=O)NC1=O",
|
300 |
+
"output": "胺-N,酰胺-CC(N)=O"
|
301 |
+
},
|
302 |
+
{
|
303 |
+
"instruction": "请提供该分子的官能团值。",
|
304 |
+
"input": "CC(=O)OC1C(O)C(C)OC(OC2C3C=COC(OC4OC(CO)C(O)C(O)C4O)C3C3(CO)OC23)C1OC(=O)C=Cc1ccccc1",
|
305 |
+
"output": "酯-CC(=O)OC,酯-COC(C)=O,醚-C1CO1,醚-COC,醇-O"
|
306 |
+
},
|
307 |
+
{
|
308 |
+
"instruction": "这个分子的官能团是多少?",
|
309 |
+
"input": "CC1CC2(CC(C)C3(CCC4(C)C5=C(CCC43C)C3(C)CCC(OC4OC(COC6OCC(O)C(O)C6OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)C(O)C(O)C4O)C(C)(CO)C3CC5)O2)OC1=O",
|
310 |
+
"output": "醚-COC,酯-COC(C)=O,醇-O"
|
311 |
+
},
|
312 |
+
{
|
313 |
+
"instruction": "请提供该分子的官能团。",
|
314 |
+
"input": "CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)CCC45C)C3(C)C)OCC(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(OC2OCC(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C1O",
|
315 |
+
"output": "醚-COC,酯-COC(C)=O,醇-O"
|
316 |
+
},
|
317 |
+
{
|
318 |
+
"instruction": "请提供该分子的官能团。",
|
319 |
+
"input": "C=C1CCC2C(CN3CCCC3C(=O)O)C(=O)OC2C2C(=C)CCC12",
|
320 |
+
"output": "酯-COC(C)=O,胺-N,醚-COC,醇-O,羧酸-O=CO"
|
321 |
+
},
|
322 |
+
{
|
323 |
+
"instruction": "我需要知道这个分子的官能团,你能提供吗?",
|
324 |
+
"input": "CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1",
|
325 |
+
"output": "醚-COC,酯-COC(C)=O,醇-O"
|
326 |
+
},
|
327 |
+
{
|
328 |
+
"instruction": "请提供该分子的官能团值。",
|
329 |
+
"input": "CC1OC(OC2C(CO)OC(OCC3OC(OC4CCC5(C)C(CCC6(C)C5C=CC57OCC8(CCC(C)(C)CC85)C(O)CC67C)C4(C)CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O",
|
330 |
+
"output": "醚-COC,醇-O"
|
331 |
+
},
|
332 |
+
{
|
333 |
+
"instruction": "你能告诉我这个分子官能团吗?",
|
334 |
+
"input": "CC1(C)CCC23COC4(C=CC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1",
|
335 |
+
"output": "醚-COC,醇-O"
|
336 |
+
},
|
337 |
+
{
|
338 |
+
"instruction": "请提供该分子的官能团值。",
|
339 |
+
"input": "CC=CSCC([NH3+])C(=O)[O-]",
|
340 |
+
"output": ""
|
341 |
+
},
|
342 |
+
{
|
343 |
+
"instruction": "请提供该分子的官能团。",
|
344 |
+
"input": "O=C(CI)OCCOC(=O)CI",
|
345 |
+
"output": "醚-COC,酯-COC(C)=O"
|
346 |
+
},
|
347 |
+
{
|
348 |
+
"instruction": "请提供该分子的官能团。",
|
349 |
+
"input": "CC(C)(O)C1Cc2cc3ccc(=O)oc3c(OC3OC(CO)C(O)C(O)C3O)c2O1",
|
350 |
+
"output": "醚-COC,醚-COC,醇-O"
|
351 |
+
},
|
352 |
+
{
|
353 |
+
"instruction": "这个分子的官能团是多少?",
|
354 |
+
"input": "COc1ccc(C(=O)c2nccc3cc4c(cc23)OCO4)c(O)c1OC",
|
355 |
+
"output": "醚-COC,酮-CC(C)=O,醇-O"
|
356 |
+
},
|
357 |
+
{
|
358 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
359 |
+
"input": "Cc1cc(O)c2c(OC3OC(CO)C(O)C(O)C3O)ccc(O)c2c1",
|
360 |
+
"output": "醚-COC,醚-COC,醇-O"
|
361 |
+
},
|
362 |
+
{
|
363 |
+
"instruction": "你能给我这个分子的官能团吗?",
|
364 |
+
"input": "C=C(C)C1CCC2=C(C1)C(C)C(O)C(O)C2",
|
365 |
+
"output": "醇-O"
|
366 |
+
},
|
367 |
+
{
|
368 |
+
"instruction": "你能给我这个分子的官能团吗?",
|
369 |
+
"input": "O=C1CCC(=O)O1",
|
370 |
+
"output": "醚-COC,酯-COC(C)=O"
|
371 |
+
},
|
372 |
+
{
|
373 |
+
"instruction": "请提供该分子的官能团。",
|
374 |
+
"input": "CC1(C)OC23C(OC(=O)c4cccnc4)C1CC(OC(=O)c1ccccc1)C2(C)C(OC(=O)c1ccccc1)CCC3(C)O",
|
375 |
+
"output": "酯-CC(=O)OC,醚-COC,醇-O"
|
376 |
+
},
|
377 |
+
{
|
378 |
+
"instruction": "请提供该分子的官能团。",
|
379 |
+
"input": "COc1cc(C=CC(=O)OCC(O)COC2OC(CO)C(O)C(O)C2O)ccc1O",
|
380 |
+
"output": "醚-COC,醚-COC,醇-O,酯-CC(=O)OC"
|
381 |
+
},
|
382 |
+
{
|
383 |
+
"instruction": "我对这个分子的官能团很感兴趣,你能告诉我它���多少吗?",
|
384 |
+
"input": "CC(=CC(=O)O)c1c(O)c(C2OC(CO)C(O)C(O)C2O)c2c(c1O)C1OC(CO)C(O)C(O)C1O2",
|
385 |
+
"output": "羧酸-O=CO,醚-COC,醚-COC,醇-O"
|
386 |
+
},
|
387 |
+
{
|
388 |
+
"instruction": "你能告诉我这个分子官能团吗?",
|
389 |
+
"input": "C=C1C2CC(=O)C3C4(C)CCC(O)C(C)(C)C4C(OC(C)=O)C(OC(C)=O)C3(C2)C1OC(C)=O",
|
390 |
+
"output": "酮-CC(C)=O,醚-COC,酯-COC(C)=O,醇-O"
|
391 |
+
},
|
392 |
+
{
|
393 |
+
"instruction": "请提供该分子的官能团。",
|
394 |
+
"input": "C=C1C2CCC(=O)C3(C)CCC(OC(C)=O)C(C)(C)C3CC=C(C2)C1O",
|
395 |
+
"output": "酮-CC(C)=O,醚-COC,酯-COC(C)=O,醇-O"
|
396 |
+
},
|
397 |
+
{
|
398 |
+
"instruction": "你能告诉我这个分子的官能团值吗?",
|
399 |
+
"input": "CC1CC(O)C(C(C)C2CCC3=C(CC4C3=CC(=O)C3CC(O)CCC34C)C2C)N(C)C1",
|
400 |
+
"output": "酮-CC(C)=O,胺-N,醇-O"
|
401 |
+
},
|
402 |
+
{
|
403 |
+
"instruction": "请提供该分子的官能团。",
|
404 |
+
"input": "O=C(OCC(O)C(O)C1OC(=O)c2cc(O)c(O)c(O)c2-c2c(O)c(O)c(O)c3c2C(=O)OC1C3O)c1cc(O)c(O)c(O)c1",
|
405 |
+
"output": "酯-CC(=O)OC,醚-COC,醇-O"
|
406 |
+
},
|
407 |
+
{
|
408 |
+
"instruction": "请给我这个分子的官能团。",
|
409 |
+
"input": "CC(C)=C1CCC(C)CC1=O",
|
410 |
+
"output": "酮-CC(C)=O"
|
411 |
+
},
|
412 |
+
{
|
413 |
+
"instruction": "我对这个分子的官能团很感兴趣,你能告诉我它是什么吗?",
|
414 |
+
"input": "Cc1ccc(C(=O)Cl)cc1",
|
415 |
+
"output": ""
|
416 |
+
},
|
417 |
+
{
|
418 |
+
"instruction": "请给我提供这个分子的官能团值。",
|
419 |
+
"input": "COc1c(N)c2c3c(cc4ccccc4c3c1OC)N(C)C(=O)C2=O",
|
420 |
+
"output": "酮-CC(C)=O,醚-COC,酰胺-CC(N)=O,胺-N"
|
421 |
+
},
|
422 |
+
{
|
423 |
+
"instruction": "请提供该分子的官能团。",
|
424 |
+
"input": "O=C(O)c1c(O)c(O)c2c(c1O)C(=O)c1ccccc1C2=O",
|
425 |
+
"output": "羧酸-O=CO,酮-CC(C)=O,醇-O"
|
426 |
+
},
|
427 |
+
{
|
428 |
+
"instruction": "请提供该分子的官能团。",
|
429 |
+
"input": "COC(=O)C1=CCC23CCC(C(C)(C=CC=C(C)C(=O)[O-])OC2=O)C3(O)CC1",
|
430 |
+
"output": "醚-COC,酯-COC(C)=O,醇-O,酯-CC(=O)OC"
|
431 |
+
},
|
432 |
+
{
|
433 |
+
"instruction": "请给我提供这个分子的官能团。",
|
434 |
+
"input": "Cc1cc(=O)c2c(O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(O)c7c(=O)cc(CO)cc7c(c65)c(c2c1)c34",
|
435 |
+
"output": "醇-O"
|
436 |
+
},
|
437 |
+
{
|
438 |
+
"instruction": "你能给我这个分子的官能团吗?",
|
439 |
+
"input": "C=C1C(O)CC2C(C(=O)OCC=C(C)CCC=C(C)COC(=O)C3=COC(OC4OC(CO)C(O)C(O)C4O)C4C3CCC4(C)O)=COC(OC3OC(CO)C(O)C(O)C3O)C12",
|
440 |
+
"output": "醚-COC,醇-O,酯-CC(=O)OC"
|
441 |
+
},
|
442 |
+
{
|
443 |
+
"instruction": "你能告诉我这个分子官能团吗?",
|
444 |
+
"input": "COc1ccc2c(c1)OC(C)(C)C=C2",
|
445 |
+
"output": "醚-COC"
|
446 |
+
},
|
447 |
+
{
|
448 |
+
"instruction": "这个分子的官能团是多少?",
|
449 |
+
"input": "COc1cc2c(cc1O)c(=O)n1ccc3cccc2c31",
|
450 |
+
"output": "醚-COC,醇-O"
|
451 |
+
},
|
452 |
+
{
|
453 |
+
"instruction": "你能给我这个分子的官能团吗?",
|
454 |
+
"input": "CC(C)=CC(=O)OCC(C)C1Cc2cc3ccc(=O)oc3cc2O1",
|
455 |
+
"output": "醚-COC,醚-COC,酯-CC(=O)OC"
|
456 |
+
},
|
457 |
+
{
|
458 |
+
"instruction": "这个分子的官能团是多少?",
|
459 |
+
"input": "C=CC(O)C#CC#CC(O)C1OC1CCCCCCC",
|
460 |
+
"output": "醚-C1CO1,醇-O"
|
461 |
+
},
|
462 |
+
{
|
463 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
464 |
+
"input": "COc1cc2c(=O)c3c(O)cc(O)cc3oc2cc1OC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O",
|
465 |
+
"output": "醚-COC,醚-COC,醇-O"
|
466 |
+
},
|
467 |
+
{
|
468 |
+
"instruction": "我需要知道这个分子的官能团,你能提供吗?",
|
469 |
+
"input": "CC(C)C1C=CC(CO)CC1",
|
470 |
+
"output": "醇-O"
|
471 |
+
},
|
472 |
+
{
|
473 |
+
"instruction": "你能给我这个分子的官能团?",
|
474 |
+
"input": "COc1cc(CC=C(C)C)c2c(=O)c3c(O)cc(OC)c(CC=C(C)C)c3oc2c1O",
|
475 |
+
"output": "醚-COC,醇-O"
|
476 |
+
},
|
477 |
+
{
|
478 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
479 |
+
"input": "Cc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(O)cccc2c1O",
|
480 |
+
"output": "醚-COC,醚-COC,醇-O"
|
481 |
+
},
|
482 |
+
{
|
483 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
484 |
+
"input": "COc1c(OC)c(O)c2c3c(cc4ccccc42)NC(=O)c13",
|
485 |
+
"output": "醚-COC,酰胺-CC(N)=O,胺-N,醇-O"
|
486 |
+
},
|
487 |
+
{
|
488 |
+
"instruction": "请给我提供这个分子的官能团值。",
|
489 |
+
"input": "C=CCC1=CC2=C(OC)C(C1=O)C2(C)C(O)c1ccc2c(c1)OCO2",
|
490 |
+
"output": "醚-COC,酮-CC(C)=O,醚-COC,醇-O"
|
491 |
+
},
|
492 |
+
{
|
493 |
+
"instruction": "请提供该分子的官能团值。",
|
494 |
+
"input": "COC1=CC(C)C2CC3OC(O)CC4C(C)C5OCOC5C(C2(C)C1=O)C34C",
|
495 |
+
"output": "酮-CC(C)=O,醚-COC,醇-O"
|
496 |
+
},
|
497 |
+
{
|
498 |
+
"instruction": "这个分子的官能团是多少?",
|
499 |
+
"input": "OCC1OC(Oc2ccc(C=Cc3cc(O)cc(O)c3)cc2O)C(O)C(O)C1O",
|
500 |
+
"output": "醚-COC,醚-COC,醇-O"
|
501 |
+
},
|
502 |
+
{
|
503 |
+
"instruction": "请提供该分子的官能团值。",
|
504 |
+
"input": "CCCCCCCCCCCCCCCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C",
|
505 |
+
"output": "醚-COC,酯-COC(C)=O"
|
506 |
+
},
|
507 |
+
{
|
508 |
+
"instruction": "这个分子的官能团是多少?",
|
509 |
+
"input": "CCCC1(c2cccc(O)c2)CCN(CCc2ccc(O)cc2)C1",
|
510 |
+
"output": "胺-N,醇-O"
|
511 |
+
},
|
512 |
+
{
|
513 |
+
"instruction": "我对这个分子的官能团很感兴趣,你能告诉我它是什么吗?",
|
514 |
+
"input": "COc1cc2c(cc1OC1OCC3C(c4cc5c(cc4OC)OCO5)OCC13OC(C)=O)OCO2",
|
515 |
+
"output": "醚-COC,醚-COC,酯-COC(C)=O"
|
516 |
+
},
|
517 |
+
{
|
518 |
+
"instruction": "请提供该分子的官能团。",
|
519 |
+
"input": "C=C(CCC(C)C1CCC2(C)C3CCC4C(C)(C)C(OC(=O)C=Cc5ccc(O)cc5)CCC45CC35CCC12C)C(C)C",
|
520 |
+
"output": "醚-COC,醇-O,酯-CC(=O)OC"
|
521 |
+
},
|
522 |
+
{
|
523 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
524 |
+
"input": "CC(=O)COc1ccccc1",
|
525 |
+
"output": "醚-COC,酮-CC(C)=O"
|
526 |
+
},
|
527 |
+
{
|
528 |
+
"instruction": "这个分子的官能团是多少?",
|
529 |
+
"input": "CC(C)(O)CCc1c(OC2OC(CO)C(O)C(O)C2O)cc2oc(-c3ccc(O)cc3)c(O)c(=O)c2c1O",
|
530 |
+
"output": "醚-COC,醚-COC,醇-O"
|
531 |
+
},
|
532 |
+
{
|
533 |
+
"instruction": "这个分子的官能团是多少?",
|
534 |
+
"input": "CC1CN=C(C(=O)C(C)C2CCC3C4CC(=O)C5CC(O)CCC5(C)C4CCC23C)C1",
|
535 |
+
"output": "酮-CC(C)=O,醇-O"
|
536 |
+
},
|
537 |
+
{
|
538 |
+
"instruction": "请提供该分子的官能团。",
|
539 |
+
"input": "COc1cc(O)c2c(c1)OC(c1ccc(OC)c(OC3OC(CO)C(O)C(O)C3O)c1)CC2=O",
|
540 |
+
"output": "酮-CC(C)=O,醚-COC,醚-COC,醇-O"
|
541 |
+
},
|
542 |
+
{
|
543 |
+
"instruction": "请给我提供这个分子的官能团值。",
|
544 |
+
"input": "Cc1cncc(C(O)C(O)C(O)CO)n1",
|
545 |
+
"output": "醇-O"
|
546 |
+
},
|
547 |
+
{
|
548 |
+
"instruction": "这个分子的官能团是多少?",
|
549 |
+
"input": "COc1ccc(C(=O)OCC2OC(Oc3ccc(CC(CO)C(CO)Cc4ccc(O)c(OC)c4)cc3OC)C(O)C(O)C2O)cc1",
|
550 |
+
"output": "醚-COC,酯-CC(=O)OC,醚-COC,醇-O"
|
551 |
+
},
|
552 |
+
{
|
553 |
+
"instruction": "请提供该分子的官能团。",
|
554 |
+
"input": "CC1CCC2(O)C(C)CCC3C(C12)C3(C)C",
|
555 |
+
"output": "醇-O"
|
556 |
+
},
|
557 |
+
{
|
558 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
559 |
+
"input": "CCC(O)C1CC=CC2CC(=O)NCCCCNCCCN21",
|
560 |
+
"output": "胺-N,酰胺-CC(N)=O,醇-O"
|
561 |
+
},
|
562 |
+
{
|
563 |
+
"instruction": "这个分子的官能团是多少?",
|
564 |
+
"input": "C=C1C(OC)OC2(OC3OC(CO)C(O)C(O)C3O)CC1C(=O)C=C2C",
|
565 |
+
"output": "酮-CC(C)=O,醚-COC,醇-O"
|
566 |
+
},
|
567 |
+
{
|
568 |
+
"instruction": "请提供该分子的官能团。",
|
569 |
+
"input": "CCOC(=O)C(=O)OCC",
|
570 |
+
"output": "醚-COC,酯-CC(=O)OC"
|
571 |
+
},
|
572 |
+
{
|
573 |
+
"instruction": "这个分子的官能团是多少?",
|
574 |
+
"input": "CC(C)=CCc1c(O)ccc2ccc(=O)oc12",
|
575 |
+
"output": "醇-O"
|
576 |
+
},
|
577 |
+
{
|
578 |
+
"instruction": "请提供该分子的官能团。",
|
579 |
+
"input": "C=CC1(C)CC(=O)C2C3(C)C=C(OC(C)=O)C(=O)C(C)(C)C3CC(O)C2(O)C1=O",
|
580 |
+
"output": "酮-CC(C)=O,醚-COC,酯-COC(C)=O,醇-O"
|
581 |
+
},
|
582 |
+
{
|
583 |
+
"instruction": "请提供该分子的官能团。",
|
584 |
+
"input": "CC1=C2C(CC1)C1(C)CCC(C(C)C)(O1)C2O",
|
585 |
+
"output": "醚-COC,醇-O"
|
586 |
+
},
|
587 |
+
{
|
588 |
+
"instruction": "你能给我这个分子的官能团吗?",
|
589 |
+
"input": "C=C(C)C1Cc2c(OC)c3cc(OC)cc(OC)c3[n+](C)c2O1",
|
590 |
+
"output": "醚-COC"
|
591 |
+
},
|
592 |
+
{
|
593 |
+
"instruction": "我需要知道这个分子的官能团,你能提供吗?",
|
594 |
+
"input": "C=C1C(=O)C23OC2C1CCC(=O)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3OC",
|
595 |
+
"output": "酮-CC(C)=O,醚-COC,酯-COC(C)=O,醚-C1CO1"
|
596 |
+
},
|
597 |
+
{
|
598 |
+
"instruction": "你能告诉我这个分子的官能团吗?",
|
599 |
+
"input": "COc1cc(CC2(O)COC(c3ccc(OC4OC(CO)C(O)C(O)C4O)c(OC)c3)C2CO)ccc1O",
|
600 |
+
"output": "醚-COC,醚-COC,醇-O"
|
601 |
+
},
|
602 |
+
{
|
603 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
604 |
+
"input": "CC(C)C1=CC2(CC1=O)C(=O)CCC1C(C)(C)CCCC12C",
|
605 |
+
"output": "酮-CC(C)=O"
|
606 |
+
},
|
607 |
+
{
|
608 |
+
"instruction": "这个分子的官能团是多少?",
|
609 |
+
"input": "CCCCCCCCCCC",
|
610 |
+
"output": ""
|
611 |
+
},
|
612 |
+
{
|
613 |
+
"instruction": "请给我这个分子的官能团。",
|
614 |
+
"input": "C1=CN(c2ccccc2)Cc2ccccc21",
|
615 |
+
"output": "胺-N"
|
616 |
+
},
|
617 |
+
{
|
618 |
+
"instruction": "请给我这个分子的官能团。",
|
619 |
+
"input": "CC1=C2C(=O)C=C(C(=O)O)C2C2OC(=O)C(C)C2CC1",
|
620 |
+
"output": "酮-CC(C)=O,酯-COC(C)=O,醚-COC,醇-O,羧酸-O=CO"
|
621 |
+
},
|
622 |
+
{
|
623 |
+
"instruction": "请给我提供这个分子的官能团。",
|
624 |
+
"input": "CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)CC12C",
|
625 |
+
"output": "醚-COC,醇-O"
|
626 |
+
},
|
627 |
+
{
|
628 |
+
"instruction": "请提供该分子的官能团。",
|
629 |
+
"input": "CC(=O)OC1C2C(=O)c3ccoc3CC2C2(C)C(=O)CCC(C)(C)C2(O)C1OC(C)=O",
|
630 |
+
"output": "酮-CC(C)=O,酮-CC(C)=O,酯-COC(C)=O,醚-COC,醇-O"
|
631 |
+
},
|
632 |
+
{
|
633 |
+
"instruction": "请提供该分子的官能团。",
|
634 |
+
"input": "CC(C=CC=C(C)C=CC(=O)O)=CC=CC=C(C)C=CC=C(C)C=CC(=O)O",
|
635 |
+
"output": "羧酸-O=CO,醇-O"
|
636 |
+
},
|
637 |
+
{
|
638 |
+
"instruction": "请给我提供这个分子的官能团。",
|
639 |
+
"input": "CCCCCCCCCCCCCCCCCC",
|
640 |
+
"output": ""
|
641 |
+
},
|
642 |
+
{
|
643 |
+
"instruction": "请提供该分子的官能团值。",
|
644 |
+
"input": "C=C1C(=O)OC2C=C(C)C(O)CC=C(C)CC(OC(=O)C(C)=CC)C12",
|
645 |
+
"output": "醚-COC,醇-O,酯-CC(=O)OC"
|
646 |
+
},
|
647 |
+
{
|
648 |
+
"instruction": "请提供该分子的官能团。",
|
649 |
+
"input": "C#CC1(O)C(O)CC2C3CCc4cc(OC5CCCC5)ccc4C3CCC21C",
|
650 |
+
"output": "醚-COC,醇-O"
|
651 |
+
},
|
652 |
+
{
|
653 |
+
"instruction": "我对这个分子的官能团很感兴趣,你能告诉我它是什么吗?",
|
654 |
+
"input": "CC1(C)C=Cc2c(c(O)cc3c(=O)c4c(O)cccc4oc23)O1",
|
655 |
+
"output": "醚-COC,醇-O"
|
656 |
+
},
|
657 |
+
{
|
658 |
+
"instruction": "你能告诉我这个分子的官能团吗?",
|
659 |
+
"input": "O=c1c(C2OCCC2O)coc2cc(O)cc(O)c12",
|
660 |
+
"output": "醚-COC,醇-O"
|
661 |
+
},
|
662 |
+
{
|
663 |
+
"instruction": "这个分子的官能团是多少?",
|
664 |
+
"input": "COC1=CC(C)C2CC3OC(=O)CC4(O)C(C)C(O)C(O)C(C2(C)C1=O)C34C",
|
665 |
+
"output": "酮-CC(C)=O,醚-COC,酯-COC(C)=O,醇-O"
|
666 |
+
},
|
667 |
+
{
|
668 |
+
"instruction": "请给我提供这个分子的官能团。",
|
669 |
+
"input": "COC1=CC(C)C2CC3OC(=O)CC4(O)C(C)(O)C(OC)C(O)C(C2(C)C1=O)C34C",
|
670 |
+
"output": "酮-CC(C)=O,醚-COC,酯-COC(C)=O,醇-O"
|
671 |
+
},
|
672 |
+
{
|
673 |
+
"instruction": "你能给我这个分子的官能团吗?",
|
674 |
+
"input": "COC1=CC(C)C2CC3OC(=O)CC4C(C)C(OC)C(O)C(C2(C)C1=O)C34C",
|
675 |
+
"output": "酮-CC(C)=O,醚-COC,酯-COC(C)=O,醇-O"
|
676 |
+
},
|
677 |
+
{
|
678 |
+
"instruction": "你能给我这个分子的官能团?",
|
679 |
+
"input": "CN(C=O)CCc1cc2c(cc1-c1cc3ccc4c(c3cn1)OCO4)OCO2",
|
680 |
+
"output": "醚-COC,胺-N"
|
681 |
+
},
|
682 |
+
{
|
683 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
684 |
+
"input": "COC1C(O)C(C)OC(OC2CCC3(C)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)C(OC(C)=O)CC43O)C2)C1O",
|
685 |
+
"output": "醚-COC,酯-COC(C)=O,醇-O,酯-CC(=O)OC"
|
686 |
+
},
|
687 |
+
{
|
688 |
+
"instruction": "这个分子的官能团是多少?",
|
689 |
+
"input": "Oc1ccc(C2Oc3cc(O)c(C4c5cc(C6C(c7ccc(O)cc7)OC(c7ccc(O)cc7)C6c6cc(O)cc(O)c6)c(O)cc5OC4c4ccc(O)cc4)cc3C2c2cc(O)cc(O)c2)cc1",
|
690 |
+
"output": "醚-COC,醚-COC,醇-O"
|
691 |
+
},
|
692 |
+
{
|
693 |
+
"instruction": "请提供该分子的官能团。",
|
694 |
+
"input": "Cc1cc(O)c2c(c1)C(=O)C=C(c1c(C)cc(O)c3c1C(=O)C=CC3=O)C2=O",
|
695 |
+
"output": "酮-CC(C)=O,醇-O"
|
696 |
+
},
|
697 |
+
{
|
698 |
+
"instruction": "请给我提供这个分子的官能团。",
|
699 |
+
"input": "O=C(O)c1cc(C=CN2c3cc(O)c(OC4OC(CO)C(O)C(O)C4O)cc3CC2C(=O)O)cc(C(=O)O)n1",
|
700 |
+
"output": "醚-COC,胺-N,醚-COC,醇-O,羧酸-O=CO"
|
701 |
+
},
|
702 |
+
{
|
703 |
+
"instruction": "你能告诉我这个分子的官能团吗?",
|
704 |
+
"input": "CNC(Cc1c[nH]c2ccccc12)C(=O)OC",
|
705 |
+
"output": "胺-N,醚-COC,酯-COC(C)=O"
|
706 |
+
},
|
707 |
+
{
|
708 |
+
"instruction": "这个分子的官能团是多少?",
|
709 |
+
"input": "CC1=C2CC(C(C)C(=O)O)C(C(=O)OC3OC(CO)C(O)C(O)C3O)C=C2CCC1",
|
710 |
+
"output": "羧酸-O=CO,醚-COC,酯-COC(C)=O,醇-O"
|
711 |
+
},
|
712 |
+
{
|
713 |
+
"instruction": "这个分子的官能团是多少?",
|
714 |
+
"input": "CC(CCC(=O)NCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C",
|
715 |
+
"output": "羧酸-O=CO,胺-N,酰胺-CC(N)=O,醇-O"
|
716 |
+
},
|
717 |
+
{
|
718 |
+
"instruction": "请给我提供这个分子的官能团值。",
|
719 |
+
"input": "CC(=CCCC(C)=CCCC(C)=CCCC1C(C)(O)CCC2C(C)(C)C(=O)CCC12C)CO",
|
720 |
+
"output": "酮-CC(C)=O,醇-O"
|
721 |
+
},
|
722 |
+
{
|
723 |
+
"instruction": "请提供该分子的官能团。",
|
724 |
+
"input": "CCCCCCCCCCCCCC=O",
|
725 |
+
"output": "醛-CC=O"
|
726 |
+
},
|
727 |
+
{
|
728 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
729 |
+
"input": "COc1cc(O)c(C(=O)CCc2ccccc2)c(O)c1C",
|
730 |
+
"output": "酮-CC(C)=O,醚-COC,醇-O"
|
731 |
+
},
|
732 |
+
{
|
733 |
+
"instruction": "这个分子的官能团是多少?",
|
734 |
+
"input": "CC(=CCCC(C)=CCOC1OC(CO)C(O)C(OC2OC(C)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O)CCC=C(C)COC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O",
|
735 |
+
"output": "醚-COC,醇-O"
|
736 |
+
},
|
737 |
+
{
|
738 |
+
"instruction": "请提供该分子的官能团。",
|
739 |
+
"input": "O=C(OC(C(=O)O)C(O)C(O)C(O)C(=O)O)c1cc(O)c(O)c(O)c1",
|
740 |
+
"output": "羧酸-O=CO,酯-CC(=O)OC,醚-COC,醇-O"
|
741 |
+
},
|
742 |
+
{
|
743 |
+
"instruction": "请给我提供这个分子的官能团值。",
|
744 |
+
"input": "CC1(O)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OCC(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1",
|
745 |
+
"output": "羧酸-O=CO,醚-COC,醇-O"
|
746 |
+
},
|
747 |
+
{
|
748 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
749 |
+
"input": "COc1cc(OC)c(C2C(C)C(C)C2c2cc(OC)c3c(c2OC)OCO3)cc1OC",
|
750 |
+
"output": "醚-COC"
|
751 |
+
},
|
752 |
+
{
|
753 |
+
"instruction": "这个分子的官能团是多少?",
|
754 |
+
"input": "COc1ccc(C=CC(=O)OC2C3C=COC(OC4OC(CO)C(O)C(O)C4O)C3C3(CO)OC23)cc1O",
|
755 |
+
"output": "酯-CC(=O)OC,醚-COC,醚-C1CO1,醚-COC,醇-O"
|
756 |
+
},
|
757 |
+
{
|
758 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
759 |
+
"input": "COC(=O)C=Cc1ccc(O)cc1",
|
760 |
+
"output": "醚-COC,醇-O,酯-CC(=O)OC"
|
761 |
+
},
|
762 |
+
{
|
763 |
+
"instruction": "请提供该分子的官能团。",
|
764 |
+
"input": "COC(=O)c1ccc(OC)cc1",
|
765 |
+
"output": "醚-COC,醚-COC,酯-CC(=O)OC"
|
766 |
+
},
|
767 |
+
{
|
768 |
+
"instruction": "这个分子的官能团是多少?",
|
769 |
+
"input": "CCCCCCCCCCCCCC(=O)OC",
|
770 |
+
"output": "醚-COC,酯-COC(C)=O"
|
771 |
+
},
|
772 |
+
{
|
773 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
774 |
+
"input": "COC(=O)CCC(C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O",
|
775 |
+
"output": "酮-CC(C)=O,醚-COC,酯-COC(C)=O,醇-O"
|
776 |
+
},
|
777 |
+
{
|
778 |
+
"instruction": "这个分子的官能团是多少?",
|
779 |
+
"input": "COC1(CO)OC(CO)C(O)C1O",
|
780 |
+
"output": "醚-COC,醇-O"
|
781 |
+
},
|
782 |
+
{
|
783 |
+
"instruction": "你能告诉我这个分子的官能团值吗?",
|
784 |
+
"input": "COC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1",
|
785 |
+
"output": "酮-CC(C)=O,醚-COC,酯-COC(C)=O,醇-O"
|
786 |
+
},
|
787 |
+
{
|
788 |
+
"instruction": "你能给我这个分子的官能团吗?",
|
789 |
+
"input": "CCCCC(C)CC(C)CC(C)C(=O)OC",
|
790 |
+
"output": "醚-COC,酯-COC(C)=O"
|
791 |
+
},
|
792 |
+
{
|
793 |
+
"instruction": "请给我提供这个分子的官能团。",
|
794 |
+
"input": "COC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2(O)C1",
|
795 |
+
"output": "酮-CC(C)=O,醚-COC,酯-COC(C)=O,醇-O"
|
796 |
+
},
|
797 |
+
{
|
798 |
+
"instruction": "请提供该分子的官能团。",
|
799 |
+
"input": "COc1cc(C(=O)O)c(C(=O)O)cc1OC",
|
800 |
+
"output": "羧酸-O=CO,醚-COC,醇-O"
|
801 |
+
},
|
802 |
+
{
|
803 |
+
"instruction": "这个分子的官能团是多少?",
|
804 |
+
"input": "COc1ccc2c(c1OC)C(=O)OC2",
|
805 |
+
"output": "醚-COC,醚-COC,酯-CC(=O)OC"
|
806 |
+
},
|
807 |
+
{
|
808 |
+
"instruction": "我对这个分子的官能团很感兴趣,你能告诉我它是什么吗?",
|
809 |
+
"input": "Oc1ccc(C2Oc3ccc(C=Cc4cc(O)cc(O)c4)cc3C2c2cc(O)cc(O)c2)cc1",
|
810 |
+
"output": "醚-COC,醇-O"
|
811 |
+
},
|
812 |
+
{
|
813 |
+
"instruction": "请提供该分子的官能团值。",
|
814 |
+
"input": "COc1cc(C2Oc3c(OC)cc(CCCO)cc3C2COC2OC(C)C(O)C(O)C2O)ccc1O",
|
815 |
+
"output": "醚-COC,醚-COC,醇-O"
|
816 |
+
},
|
817 |
+
{
|
818 |
+
"instruction": "请提供该分子的官能团。",
|
819 |
+
"input": "CC1=CC(=O)c2c(O)ccc(-c3ccc(O)c4c3C(=O)C(C)=CC4=O)c2C1=O",
|
820 |
+
"output": "酮-CC(C)=O,酮-CC(C)=O,醇-O"
|
821 |
+
},
|
822 |
+
{
|
823 |
+
"instruction": "这个分子的官能团是多少?",
|
824 |
+
"input": "C=C1C2CCC3C45CCCC(C)(C)C4C(OC(C)=O)C(O)(OC5)C3(C2)C1O",
|
825 |
+
"output": "醚-COC,酯-COC(C)=O,醇-O"
|
826 |
+
},
|
827 |
+
{
|
828 |
+
"instruction": "请提供该分子的官能团。",
|
829 |
+
"input": "CC(C1CCC2C3CCC4CC([N+](C)(C)C)CCC4(C)C3CCC21C)[N+](C)(C)C.[I-].[I-]",
|
830 |
+
"output": ""
|
831 |
+
},
|
832 |
+
{
|
833 |
+
"instruction": "这个分子的官能团是多少?",
|
834 |
+
"input": "C=CCc1ccc(Oc2cc(C(O)C(O)Cc3c(CC=C)cc(O)c(O)c3Oc3ccc(CC=C)cc3)cc(O)c2O)cc1",
|
835 |
+
"output": "醚-COC,醇-O"
|
836 |
+
},
|
837 |
+
{
|
838 |
+
"instruction": "你能告诉我这个分子官能团吗?",
|
839 |
+
"input": "[Mg]",
|
840 |
+
"output": ""
|
841 |
+
},
|
842 |
+
{
|
843 |
+
"instruction": "这个分子的官能团是多少?",
|
844 |
+
"input": "COc1cccc(OC(C)=O)c1",
|
845 |
+
"output": "醚-COC,酯-COC(C)=O"
|
846 |
+
},
|
847 |
+
{
|
848 |
+
"instruction": "这个分子的官能团是多少?",
|
849 |
+
"input": "COc1cc(CCC(=O)OC2C(OC(C)=O)C3CC(C)CC45C3CCCN4CCCC25)ccc1O",
|
850 |
+
"output": "醚-COC,酯-COC(C)=O,胺-N,醚-COC,醇-O"
|
851 |
+
},
|
852 |
+
{
|
853 |
+
"instruction": "你能告诉我这个分子的官能团吗?",
|
854 |
+
"input": "CC1=CC2C(O)C(O)C3CCCN4CCCC2C34C1",
|
855 |
+
"output": "胺-N,醇-O"
|
856 |
+
},
|
857 |
+
{
|
858 |
+
"instruction": "这个分子的官能团是多少?",
|
859 |
+
"input": "CC(=O)OC1C(OC2OC(CO)C(O)C(O)C2O)C(C)CNC12OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C",
|
860 |
+
"output": "胺-N,醚-COC,酯-COC(C)=O,醇-O"
|
861 |
+
},
|
862 |
+
{
|
863 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
864 |
+
"input": "CC12CCC3C(C)(CO)C(O)CCC3(C)C1CCC1C(=CCC3C(C)(C)C(O)C(O)CC13C)C2",
|
865 |
+
"output": "醇-O"
|
866 |
+
},
|
867 |
+
{
|
868 |
+
"instruction": "你能给我这个分子的官能团吗?",
|
869 |
+
"input": "O=c1cc(-c2ccc(OC3OC(CO)C(O)C(O)C3O)c(O)c2)oc2cc(O)cc(O)c12",
|
870 |
+
"output": "醚-COC,醚-COC,醇-O"
|
871 |
+
},
|
872 |
+
{
|
873 |
+
"instruction": "这个分子的官能团是多少?",
|
874 |
+
"input": "C=C1C(=O)C23CC(=O)C4C(C)(C)C(OC(C)=O)C(OC(C)=O)C(O)C4(C)C2C(O)CC1C3",
|
875 |
+
"output": "酮-CC(C)=O,醚-COC,酯-COC(C)=O,醇-O"
|
876 |
+
},
|
877 |
+
{
|
878 |
+
"instruction": "请提供该分子的官能团值。",
|
879 |
+
"input": "COc1ccc2c(=O)cc(-c3ccc4c(c3)OCO4)n(C)c2c1",
|
880 |
+
"output": "醚-COC"
|
881 |
+
},
|
882 |
+
{
|
883 |
+
"instruction": "这个分子的官能团是多少?",
|
884 |
+
"input": "COc1cc2c(cc1O)C1(Cc3ccc4c(c3C1O)OCO4)N(C)CC2",
|
885 |
+
"output": "醚-COC,胺-N,醇-O"
|
886 |
+
},
|
887 |
+
{
|
888 |
+
"instruction": "这个分子的官能团是多少?",
|
889 |
+
"input": "CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O",
|
890 |
+
"output": "酮-CC(C)=O,醇-O"
|
891 |
+
},
|
892 |
+
{
|
893 |
+
"instruction": "请提供该分子的官能团值。",
|
894 |
+
"input": "O=C(O)C(O)Cc1ccccc1",
|
895 |
+
"output": "羧酸-O=CO,醇-O"
|
896 |
+
},
|
897 |
+
{
|
898 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
899 |
+
"input": "C=CC1(C)CCC(C(C)CO)O1",
|
900 |
+
"output": "醚-COC,醇-O"
|
901 |
+
},
|
902 |
+
{
|
903 |
+
"instruction": "请提供该分子的官能团。",
|
904 |
+
"input": "CCN1CC2(COC)CCC(O)C34C5C(O)C6C(OC)CC(O)(C5C6O)C(O)(C(OC)C23)C14",
|
905 |
+
"output": "醚-COC,胺-N,醇-O"
|
906 |
+
},
|
907 |
+
{
|
908 |
+
"instruction": "我对这个分子的官能团很感兴趣,你能告诉我它是什么吗?",
|
909 |
+
"input": "COc1ccc2c(c1)OCc1c-2oc2cc(O)ccc12",
|
910 |
+
"output": "醚-COC,醇-O"
|
911 |
+
},
|
912 |
+
{
|
913 |
+
"instruction": "这个分子的官能团是多少?",
|
914 |
+
"input": "CC1=C(CCC2=CC(=O)OC2)C2(C)CCCC(C)(C)C2CC1=O",
|
915 |
+
"output": "酮-CC(C)=O,醚-COC,酯-CC(=O)OC"
|
916 |
+
},
|
917 |
+
{
|
918 |
+
"instruction": "我对这个分子的官能团很感兴趣,你能告诉我它是什么吗?",
|
919 |
+
"input": "CCCCCCCCCCCCBr",
|
920 |
+
"output": ""
|
921 |
+
},
|
922 |
+
{
|
923 |
+
"instruction": "你能告诉我这个分子的官能团值吗?",
|
924 |
+
"input": "COc1cc2c(cc1OC)-c1c(O)c(O)cc3c1C(C2)N(C)CC3",
|
925 |
+
"output": "醚-COC,胺-N,醇-O"
|
926 |
+
},
|
927 |
+
{
|
928 |
+
"instruction": "我对这个分子的官能团很感兴趣,你能告诉我它是多少吗?",
|
929 |
+
"input": "COc1cc(C(=O)C2=Cc3cc(O)c(OC)cc3CC2CO)ccc1O",
|
930 |
+
"output": "酮-CC(C)=O,醚-COC,醇-O"
|
931 |
+
},
|
932 |
+
{
|
933 |
+
"instruction": "你能给我这个分子的官能团吗?",
|
934 |
+
"input": "CC#CC#COC1=CC2(CCC(OC(=O)CC(C)C)CO2)C2OC12",
|
935 |
+
"output": "醚-COC,酯-COC(C)=O,醚-C1CO1"
|
936 |
+
},
|
937 |
+
{
|
938 |
+
"instruction": "请提供该分子的官能团值。",
|
939 |
+
"input": "CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C)C(OC2OCC(O)C(O)C2O)C1O",
|
940 |
+
"output": "羧酸-O=CO,醚-COC,醇-O"
|
941 |
+
},
|
942 |
+
{
|
943 |
+
"instruction": "请给我提供这个分子的官能团。",
|
944 |
+
"input": "CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4C=CC4=C6C7(CCC(C)(OC7=O)C6(C)O)CCC45C)C3(C)C)OCC(O)C2OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O",
|
945 |
+
"output": "醚-COC,酯-COC(C)=O,醇-O"
|
946 |
+
},
|
947 |
+
{
|
948 |
+
"instruction": "这个分子的官能团是多少?",
|
949 |
+
"input": "CC(C)(O)CCC(=O)C(C)(O)C1C(O)CC2(C)C3C(O)C=C4C(C=C(OC5OC(CO)C(O)C(O)C5O)C(=O)C4(C)C)C3(C)C(=O)CC12C",
|
950 |
+
"output": "酮-CC(C)=O,醚-COC,醇-O"
|
951 |
+
},
|
952 |
+
{
|
953 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
954 |
+
"input": "CC(C)=CCc1cc(C2Oc3c(ccc4c3C=CC(C)(C)O4)C(=O)C2O)ccc1O",
|
955 |
+
"output": "酮-CC(C)=O,醚-COC,醇-O"
|
956 |
+
},
|
957 |
+
{
|
958 |
+
"instruction": "请提供该分子的官能团。",
|
959 |
+
"input": "CC=C(C)C(=O)OC1C2=CC(=O)C(OC)=C(OC)C23COc2c4c(cc(c23)C(OC(C)=O)C(C)C1(C)O)OCO4",
|
960 |
+
"output": "酮-CC(C)=O,酯-CC(=O)OC,醚-COC,酯-COC(C)=O,醚-COC,醇-O"
|
961 |
+
},
|
962 |
+
{
|
963 |
+
"instruction": "这个分子的官能团是多少?",
|
964 |
+
"input": "C=CC(C)(CCC=C(C)C(=O)OC1C(C)OC(OC(C)(C=C)CCC=C(CO)C(=O)OC2CC3(C(=O)OC4OC(CO)C(O)C(O)C4OC4OC(C)C(OC5OC(CO)C(O)C5O)C(OC5OC(CO)C(O)C(O)C5O)C4O)C(O)CC4(C)C(=CCC5C6(C)CCC(OC7OC(COC8OCC(O)C(O)C8OC8OCC(O)C(O)C8O)C(O)C(O)C7NC(C)=O)C(C)(C)C6CCC54C)C3CC2(C)C)C(O)C1O)OC1OC(C)C(O)C(O)C1O",
|
965 |
+
"output": "酯-CC(=O)OC,胺-N,酯-COC(C)=O,醚-COC,酰胺-CC(N)=O,醇-O"
|
966 |
+
},
|
967 |
+
{
|
968 |
+
"instruction": "你能告诉我这个分子官能团吗?",
|
969 |
+
"input": "CC1=C(COC2OC(CO)C(O)C(O)C2O)C(C)(C)CCC1=O",
|
970 |
+
"output": "酮-CC(C)=O,醚-COC,醇-O"
|
971 |
+
},
|
972 |
+
{
|
973 |
+
"instruction": "请提供该分子的官能团。",
|
974 |
+
"input": "C=CC(O)C#CC#CC(C=CCCCCCCC)OC(C)(C)C(O)COc1c2occc2c(OC)c2ccc(=O)oc12",
|
975 |
+
"output": "醚-COC,醚-COC,醇-O"
|
976 |
+
},
|
977 |
+
{
|
978 |
+
"instruction": "这个分子的官能团是多少?",
|
979 |
+
"input": "CC1OC(OC2C(O)C(OCCc3ccc(O)c(O)c3)OC(CO)C2OC(=O)C=Cc2ccc(O)cc2)C(O)C(O)C1O",
|
980 |
+
"output": "醚-COC,醇-O,酯-CC(=O)OC"
|
981 |
+
},
|
982 |
+
{
|
983 |
+
"instruction": "你能给我这个分子的官能团?",
|
984 |
+
"input": "COc1cc(-c2oc3cc(O)cc(OC4OC(CO)C(O)C(O)C4O)c3c(=O)c2O)ccc1O",
|
985 |
+
"output": "醚-COC,醚-COC,醇-O"
|
986 |
+
},
|
987 |
+
{
|
988 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
989 |
+
"input": "COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(COC(=O)C=Cc3ccc(O)cc3)C(O)C(O)C2O)ccc1O",
|
990 |
+
"output": "醚-COC,醚-COC,醇-O,酯-CC(=O)OC"
|
991 |
+
},
|
992 |
+
{
|
993 |
+
"instruction": "请提供该分子的官能团值。",
|
994 |
+
"input": "CC=C1C(=O)OC23C=CC4C(C(=O)OC)=COC(OC12)C43",
|
995 |
+
"output": "醚-COC,酯-CC(=O)OC"
|
996 |
+
},
|
997 |
+
{
|
998 |
+
"instruction": "请给我提供这个分子的官能团。",
|
999 |
+
"input": "O=C1CC(c2ccc(O)c(O)c2)Oc2c1ccc(OC1OC(CO)C(O)C(O)C1O)c2O",
|
1000 |
+
"output": "酮-CC(C)=O,醚-COC,醚-COC,醇-O"
|
1001 |
+
},
|
1002 |
+
{
|
1003 |
+
"instruction": "这个分子的官能团是多少?",
|
1004 |
+
"input": "C=C1OC(=O)C(=CCCCCCC=CCCCCCCCC)C1O",
|
1005 |
+
"output": "醚-COC,酯-COC(C)=O,醇-O"
|
1006 |
+
},
|
1007 |
+
{
|
1008 |
+
"instruction": "你能告诉我这个分子的官能团吗?",
|
1009 |
+
"input": "COc1ccc(CC=Cc2ccccc2)c(OC)c1O",
|
1010 |
+
"output": "醚-COC,醇-O"
|
1011 |
+
},
|
1012 |
+
{
|
1013 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
1014 |
+
"input": "CC(=O)CCc1ccc(OC2OC(CO)C(O)C(O)C2OC(=O)c2cc(O)c(O)c(O)c2)cc1",
|
1015 |
+
"output": "酮-CC(C)=O,醚-COC,醚-COC,醇-O,酯-CC(=O)OC"
|
1016 |
+
},
|
1017 |
+
{
|
1018 |
+
"instruction": "你能告诉我这个分子的官能团值吗?",
|
1019 |
+
"input": "O=C1c2ccccc2OCC1c1ccccc1",
|
1020 |
+
"output": "酮-CC(C)=O,醚-COC"
|
1021 |
+
},
|
1022 |
+
{
|
1023 |
+
"instruction": "请提供该分子的官能团值。",
|
1024 |
+
"input": "CC(C)C(C)C=CC(C)C1CCC2C3C=CC4=CC(=O)CCC4(C)C3CCC12C",
|
1025 |
+
"output": "酮-CC(C)=O"
|
1026 |
+
},
|
1027 |
+
{
|
1028 |
+
"instruction": "请提供该分子的官能团。",
|
1029 |
+
"input": "CC(C)(O)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(=O)C(O)C4(C)C)C3(C)C(=O)CC12C",
|
1030 |
+
"output": "酮-CC(C)=O,醇-O"
|
1031 |
+
},
|
1032 |
+
{
|
1033 |
+
"instruction": "请提供该分子的官能团值。",
|
1034 |
+
"input": "CCCCCCCCCCCCCCCCCCCCCC1=C(O)C(=O)C=C(OC)C1=O",
|
1035 |
+
"output": "酮-CC(C)=O,醚-COC,醇-O"
|
1036 |
+
},
|
1037 |
+
{
|
1038 |
+
"instruction": "请提供该分子的官能团。",
|
1039 |
+
"input": "CC(C)C1OC(=O)C=C2C1=CC1OC(=O)C3(C)C(O)C4OC4C2(C)C13",
|
1040 |
+
"output": "酯-CC(=O)OC,酯-COC(C)=O,醚-C1CO1,醚-COC,醇-O"
|
1041 |
+
},
|
1042 |
+
{
|
1043 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
1044 |
+
"input": "CC(C)C1CCC(C)(C2C(O)CC3(C)C4CC(=O)C5C(C)(C)C(OC6OC(CO)C(O)C(O)C6O)CCC56CC46CCC23C)O1",
|
1045 |
+
"output": "酮-CC(C)=O,醚-COC,醇-O"
|
1046 |
+
},
|
1047 |
+
{
|
1048 |
+
"instruction": "你能告诉我这个分子官能团吗?",
|
1049 |
+
"input": "COc1cc(C=CC(=O)c2ccc(O)cc2O)ccc1O",
|
1050 |
+
"output": "酮-CC(C)=O,醚-COC,醇-O"
|
1051 |
+
},
|
1052 |
+
{
|
1053 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
1054 |
+
"input": "CCCCCCS",
|
1055 |
+
"output": ""
|
1056 |
+
},
|
1057 |
+
{
|
1058 |
+
"instruction": "我需要知道这个分子的��能团,你能提供吗?",
|
1059 |
+
"input": "CCCCCCCCCCCCCCCC(=O)OC",
|
1060 |
+
"output": "醚-COC,酯-COC(C)=O"
|
1061 |
+
},
|
1062 |
+
{
|
1063 |
+
"instruction": "请提供该分子的官能团。",
|
1064 |
+
"input": "CCCCCCCCCCCCCCCC=O",
|
1065 |
+
"output": "醛-CC=O"
|
1066 |
+
},
|
1067 |
+
{
|
1068 |
+
"instruction": "这个分子的官能团是多少?",
|
1069 |
+
"input": "O=C(OC1COC(=O)c2cc(Oc3c(C(=O)OC4OC5COC(=O)c6cc(O)c(O)c(O)c6-c6c(cc(O)c(O)c6O)C(=O)OC5C(OC(=O)c5cc(O)c(O)c(O)c5)C4OC(=O)c4cc(O)c(O)c(O)c4)cc(O)c(O)c3O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)OC1C1OC(=O)c2cc(O)c(O)c(O)c2-c2c(O)c(O)c(O)c3c2C(=O)OC1C3O)c1cc(O)c(O)c(O)c1",
|
1070 |
+
"output": "醚-COC,酯-CC(=O)OC,醚-COC,醇-O"
|
1071 |
+
},
|
1072 |
+
{
|
1073 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
1074 |
+
"input": "CCCCCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C",
|
1075 |
+
"output": "醚-COC,酯-COC(C)=O"
|
1076 |
+
},
|
1077 |
+
{
|
1078 |
+
"instruction": "你能给我这个分子的官能团?",
|
1079 |
+
"input": "CC(C)=CCCC(C)(OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1CCC1C3(C)CC(O)C(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C",
|
1080 |
+
"output": "醚-COC,醇-O"
|
1081 |
+
},
|
1082 |
+
{
|
1083 |
+
"instruction": "请提供该分子的官能团。",
|
1084 |
+
"input": "CC=C(C)C(=O)OC1c2cc3c(c(OC)c2-c2c(cc(OC)c(OC)c2OC)CC(C)C1(C)O)OCO3",
|
1085 |
+
"output": "醚-COC,醚-COC,醇-O,酯-CC(=O)OC"
|
1086 |
+
},
|
1087 |
+
{
|
1088 |
+
"instruction": "请给我提供这个分子的官能团。",
|
1089 |
+
"input": "CC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)cc(O)c1O",
|
1090 |
+
"output": "醇-O"
|
1091 |
+
},
|
1092 |
+
{
|
1093 |
+
"instruction": "你能告诉我这个分子官能团吗?",
|
1094 |
+
"input": "CC(C)=CCc1cc2c(cc1O)OCC1(O)c3ccc(O)cc3OC21",
|
1095 |
+
"output": "醚-COC,醇-O"
|
1096 |
+
},
|
1097 |
+
{
|
1098 |
+
"instruction": "这个分子的官能团是多少?",
|
1099 |
+
"input": "O=C(O)c1cc([O-])c2c(c1)C(=O)c1c(C3OC(CO)C(O)C(O)C3O)ccc([O-])c1C2=O.[Ca+2]",
|
1100 |
+
"output": "羧酸-O=CO,酮-CC(C)=O,醚-COC,醇-O"
|
1101 |
+
},
|
1102 |
+
{
|
1103 |
+
"instruction": "请提供该分子的官能团。",
|
1104 |
+
"input": "COc1cc(CC(CO)C(CO)Cc2cc(OC)c(OC3OC(COC(=O)c4ccc(O)c(OC)c4)C(O)C(O)C3O)c(OC)c2)ccc1O",
|
1105 |
+
"output": "醚-COC,酯-CC(=O)OC,醚-COC,醇-O"
|
1106 |
+
},
|
1107 |
+
{
|
1108 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
1109 |
+
"input": "CC1C(=O)OC2C1C13OC4OC(=O)C(O)C45C(C(C)(C)C)C(O)C(OC1=O)C35C2O",
|
1110 |
+
"output": "醚-COC,酯-COC(C)=O,醇-O"
|
1111 |
+
},
|
1112 |
+
{
|
1113 |
+
"instruction": "这个分子的官能团是多少?",
|
1114 |
+
"input": "CCC=CCC=CCC=CCCCCCCCC(=O)OC1(O)C(O)C(COC2OC(CO)C(O)C(O)C2O)OC(OCCC)C1(O)O",
|
1115 |
+
"output": "醚-COC,酯-COC(C)=O,醇-O"
|
1116 |
+
},
|
1117 |
+
{
|
1118 |
+
"instruction": "请提供该分子的官能团。",
|
1119 |
+
"input": "CC(C)=CCc1cc2c(=O)c3c(O)c4c(cc3oc2c(O)c1O)OC(C)C4(C)C",
|
1120 |
+
"output": "醚-COC,醇-O"
|
1121 |
+
},
|
1122 |
+
{
|
1123 |
+
"instruction": "你能告诉我这个分子的官能团吗?",
|
1124 |
+
"input": "CC(=O)OCC(C)C1=C(O)C2=C(C(=O)C1=O)C1(C)CCCC(C)(C)C1CC2OC(C)=O",
|
1125 |
+
"output": "酮-CC(C)=O,醚-COC,酯-COC(C)=O,醇-O"
|
1126 |
+
},
|
1127 |
+
{
|
1128 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
1129 |
+
"input": "C=C(C)C12OC3(c4ccccc4)OC1C1C4OC4(COC(=O)CCCCCCCCCCCCCCC)C(O)C4(O)C(=O)C(C)=CC4C1(O3)C(C)C2OC(=O)c1ccccc1",
|
1130 |
+
"output": "酮-CC(C)=O,酯-COC(C)=O,醚-C1CO1,醚-COC,醇-O,酯-CC(=O)OC"
|
1131 |
+
},
|
1132 |
+
{
|
1133 |
+
"instruction": "请给我提供这个分子的官能团。",
|
1134 |
+
"input": "C=C1C(O)CC2C(C(=O)OC)=COC(OC3OC(CO)C(O)C(O)C3O)C12",
|
1135 |
+
"output": "醚-COC,醇-O,酯-CC(=O)OC"
|
1136 |
+
},
|
1137 |
+
{
|
1138 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
1139 |
+
"input": "CC(C)=CCCC(C)=CCc1c(O)c(O)c2oc3cc(O)cc(O)c3c(=O)c2c1CC=C(C)C",
|
1140 |
+
"output": "醇-O"
|
1141 |
+
},
|
1142 |
+
{
|
1143 |
+
"instruction": "我对这个分子的官能团很感兴趣,你能告诉我它是多少吗?",
|
1144 |
+
"input": "CC(=O)OC1CC(C(C)CCC=C(C)C(=O)O)C2(C)CCC3=C(C(O)CC4C(C)(C)C(=O)CCC34C)C12C",
|
1145 |
+
"output": "酮-CC(C)=O,酯-COC(C)=O,醚-COC,醇-O,羧酸-O=CO"
|
1146 |
+
},
|
1147 |
+
{
|
1148 |
+
"instruction": "这个分子的官能团是多少?",
|
1149 |
+
"input": "CC(=CCCC(C)C1CC(O)C2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C)C(=O)O",
|
1150 |
+
"output": "羧酸-O=CO,酮-CC(C)=O,醇-O"
|
1151 |
+
},
|
1152 |
+
{
|
1153 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
1154 |
+
"input": "CC(CC(=O)CC(C)(O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O",
|
1155 |
+
"output": "羧酸-O=CO,酮-CC(C)=O,醇-O"
|
1156 |
+
},
|
1157 |
+
{
|
1158 |
+
"instruction": "请提供该分子的官能团值。",
|
1159 |
+
"input": "CC(C)=CCc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O",
|
1160 |
+
"output": "醇-O"
|
1161 |
+
},
|
1162 |
+
{
|
1163 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
1164 |
+
"input": "COc1ccc(-c2coc3cc(O)c(CC=C(C)C)c(O)c3c2=O)cc1O",
|
1165 |
+
"output": "醚-COC,醇-O"
|
1166 |
+
},
|
1167 |
+
{
|
1168 |
+
"instruction": "这个分子的官能团是多少?",
|
1169 |
+
"input": "CCCCCC1CCC(=O)O1",
|
1170 |
+
"output": "醚-COC,酯-COC(C)=O"
|
1171 |
+
},
|
1172 |
+
{
|
1173 |
+
"instruction": "请提供该分子的官能团值。",
|
1174 |
+
"input": "CC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O",
|
1175 |
+
"output": "羧酸-O=CO,胺-N,酰胺-CC(N)=O,醇-O"
|
1176 |
+
},
|
1177 |
+
{
|
1178 |
+
"instruction": "你能给我这个分子的官能团吗?",
|
1179 |
+
"input": "OCC(CO)OC1OC(C(O)CO)C(OC2OC(C(O)CO)C(O)C2O)C1O",
|
1180 |
+
"output": "醚-COC,醇-O"
|
1181 |
+
},
|
1182 |
+
{
|
1183 |
+
"instruction": "我想��道这个分子的官能团,你能提供吗?",
|
1184 |
+
"input": "COc1cc2c(cc1OC)C13CC(OC)C=CC1=CCN3CCC2",
|
1185 |
+
"output": "醚-COC,醚-COC,胺-N"
|
1186 |
+
},
|
1187 |
+
{
|
1188 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
1189 |
+
"input": "CC(C)=CCCC(C(=O)OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3",
|
1190 |
+
"output": "醚-COC,酯-COC(C)=O,醇-O"
|
1191 |
+
},
|
1192 |
+
{
|
1193 |
+
"instruction": "请给我提供这个分子的官能团值。",
|
1194 |
+
"input": "Cc1sc(COS(C)=O)c(C)c1C",
|
1195 |
+
"output": ""
|
1196 |
+
},
|
1197 |
+
{
|
1198 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
1199 |
+
"input": "CC1C(O)C(O)C2C3(C)C(OC(=O)C13)C(O)C1C(C)(O)C=CC(OC3OC(CO)C(O)C(O)C3O)C12C",
|
1200 |
+
"output": "醚-COC,酯-COC(C)=O,醇-O"
|
1201 |
+
},
|
1202 |
+
{
|
1203 |
+
"instruction": "请提供该分子的官能团值。",
|
1204 |
+
"input": "CC(=O)OC1CC(OC(C)=O)C2(C)OC2C2C(OC(=O)c3ccccc3)C(C)CC23OC(C(=O)C1(C)C)C(C)C3=O",
|
1205 |
+
"output": "酮-CC(C)=O,酯-COC(C)=O,醚-C1CO1,醚-COC,酯-CC(=O)OC"
|
1206 |
+
},
|
1207 |
+
{
|
1208 |
+
"instruction": "我对这个分子的官能团很感兴趣,你能告诉我它是什么吗?",
|
1209 |
+
"input": "C=C1C(=O)OC2C1C(OC(=O)C(C)=CCO)CC(O)(CCl)C1C(OC(C)=O)C3OC3(C)C21",
|
1210 |
+
"output": "酯-CC(=O)OC,酯-COC(C)=O,醚-C1CO1,醚-COC,醇-O"
|
1211 |
+
},
|
1212 |
+
{
|
1213 |
+
"instruction": "这个分子的官能团是多少?",
|
1214 |
+
"input": "CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)C3C(OC(=O)c4ccccc4)C14OC3(C)COC(=O)c1cccnc1C(C)C(C)C(=O)OC(C(OC(C)=O)C2OC(=O)c1ccccc1)C4(C)O",
|
1215 |
+
"output": "酯-CC(=O)OC,醚-COC,酯-COC(C)=O,醇-O"
|
1216 |
+
},
|
1217 |
+
{
|
1218 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
1219 |
+
"input": "CC1=CCCC2(C)CCC(O)(C(C)C)CC12",
|
1220 |
+
"output": "醇-O"
|
1221 |
+
},
|
1222 |
+
{
|
1223 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
1224 |
+
"input": "CCCCOC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3C(=O)C=C3C5CC(C)(C(=O)O)CCC5(C)CCC34C)C2(C)C)C(OC2OC(C(=O)OCC)C(O)C(O)C2O)C(O)C1O",
|
1225 |
+
"output": "酮-CC(C)=O,酯-COC(C)=O,醚-COC,醇-O,羧酸-O=CO"
|
1226 |
+
},
|
1227 |
+
{
|
1228 |
+
"instruction": "请提供该分子的官能团。",
|
1229 |
+
"input": "CC(=O)OC1CC2CC(OC(=O)C=Cc3ccccc3)CC1N2C",
|
1230 |
+
"output": "胺-N,醚-COC,酯-COC(C)=O,酯-CC(=O)OC"
|
1231 |
+
},
|
1232 |
+
{
|
1233 |
+
"instruction": "这个分子的官能团是多少?",
|
1234 |
+
"input": "CC1(C)CCC2(CO)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1",
|
1235 |
+
"output": "醇-O"
|
1236 |
+
},
|
1237 |
+
{
|
1238 |
+
"instruction": "你能告诉我这个分子官能团吗?",
|
1239 |
+
"input": "CC1OC(Oc2cc(O)c3c(c2)OC(c2ccc(O)c(O)c2)CC3=O)C(O)C(O)C1O",
|
1240 |
+
"output": "酮-CC(C)=O,醚-COC,醚-COC,醇-O"
|
1241 |
+
},
|
1242 |
+
{
|
1243 |
+
"instruction": "我需要知道这个分子的官能团,你能提供吗?",
|
1244 |
+
"input": "CC(C)C1=C2C3CC=C4C(O)C5(O)COC6OC(C4C6(O)C5O)C3(C)CCC2(C)CC1",
|
1245 |
+
"output": "醚-COC,醇-O"
|
1246 |
+
},
|
1247 |
+
{
|
1248 |
+
"instruction": "请给我提供这个分子的官能团值。",
|
1249 |
+
"input": "COc1cc2c(c(O)c1CC=C(C)CC(O)C=C(C)C)COC2=O",
|
1250 |
+
"output": "醚-COC,酯-CC(=O)OC,醚-COC,醇-O"
|
1251 |
+
},
|
1252 |
+
{
|
1253 |
+
"instruction": "你能告诉我这个分子的官能团值吗?",
|
1254 |
+
"input": "Oc1ccc(C=Cc2cc(O)cc3c2C(c2cc(O)cc(O)c2)C(c2ccc(O)cc2)O3)cc1",
|
1255 |
+
"output": "醚-COC,醇-O"
|
1256 |
+
},
|
1257 |
+
{
|
1258 |
+
"instruction": "这个分子的官能团是多少?",
|
1259 |
+
"input": "O=C(OC1Cc2c(OC3OC(CO)C(O)C(O)C3O)cc(O)cc2OC1c1ccc(O)c(O)c1)c1ccccc1",
|
1260 |
+
"output": "醚-COC,酯-CC(=O)OC,醚-COC,醇-O"
|
1261 |
+
},
|
1262 |
+
{
|
1263 |
+
"instruction": "我对这个分子的官能团很感兴趣,你能告诉我它是什么吗?",
|
1264 |
+
"input": "C=C1CC23CCC4C(C)(C)CCCC4(C)C2CCC1C3",
|
1265 |
+
"output": ""
|
1266 |
+
},
|
1267 |
+
{
|
1268 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
1269 |
+
"input": "CC1CCC23C(C)CCC(C(C)(C)O)C2C13",
|
1270 |
+
"output": "醇-O"
|
1271 |
+
},
|
1272 |
+
{
|
1273 |
+
"instruction": "请提供该分子的官能团。",
|
1274 |
+
"input": "COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)O)C(O)CC34C)C2(C)C)C(O)C(O)C1O",
|
1275 |
+
"output": "羧酸-O=CO,醚-COC,酯-COC(C)=O,醇-O"
|
1276 |
+
},
|
1277 |
+
{
|
1278 |
+
"instruction": "这个分子的官能团是多少?",
|
1279 |
+
"input": "CC(C)=CC(O)CC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3O",
|
1280 |
+
"output": "酮-CC(C)=O,醇-O"
|
1281 |
+
},
|
1282 |
+
{
|
1283 |
+
"instruction": "这个分子的官能团是多少?",
|
1284 |
+
"input": "CC(C(O)C=CC(C)(C)O)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3CCC12C",
|
1285 |
+
"output": "酮-CC(C)=O,醇-O"
|
1286 |
+
},
|
1287 |
+
{
|
1288 |
+
"instruction": "请给我提供这个分子的官能团。",
|
1289 |
+
"input": "CC(C)=CCCC(C)(O)C1CCC2(C)C1CCC1C3(C)CCC(=O)C(C)(C)C3CCC12C",
|
1290 |
+
"output": "酮-CC(C)=O,醇-O"
|
1291 |
+
},
|
1292 |
+
{
|
1293 |
+
"instruction": "这个分子的官能团是多少?",
|
1294 |
+
"input": "C=C(OC1CC2C3CC=C4CC(OC5OC(CO)C(OC6OC(C)C(O)C(O)C6O)C(O)C5OC5OC(C)C(O)C(O)C5O)CCC4(C)C3CCC2(C)C1CC)C(CC(C)COC1OC(CO)C(O)C(O)C1O)OC",
|
1295 |
+
"output": "醚-COC,醇-O"
|
1296 |
+
},
|
1297 |
+
{
|
1298 |
+
"instruction": "这个分子的官能团是多少?",
|
1299 |
+
"input": "CCCCCCN(C)C",
|
1300 |
+
"output": "胺-N"
|
1301 |
+
},
|
1302 |
+
{
|
1303 |
+
"instruction": "这个分子的官能团是多少?",
|
1304 |
+
"input": "COC(=O)C1=COC(OC2OC(COC(=O)C3=COC(OC4OC(CO)C(O)C(O)C4O)C4C(COC(=O)SC)=CC(O)C34)C(O)C(O)C2O)C2C(COC(=O)SC)=CC(O)C12",
|
1305 |
+
"output": "醚-COC,醇-O,酯-CC(=O)OC"
|
1306 |
+
},
|
1307 |
+
{
|
1308 |
+
"instruction": "我对这个分子的官能团很感兴趣,你能告诉我它是什么吗?",
|
1309 |
+
"input": "CC(C)C1C2OC(=O)C1C1(O)C3OC3C3(CO3)C1(C)C2O",
|
1310 |
+
"output": "醚-COC,醚-C1CO1,酯-COC(C)=O,醇-O"
|
1311 |
+
},
|
1312 |
+
{
|
1313 |
+
"instruction": "你能告诉我这个分子官能团吗?",
|
1314 |
+
"input": "OCC1OC(OC2OCCC3C(O)C4OC4(CO)C23)C(O)C(O)C1O",
|
1315 |
+
"output": "醚-COC,醚-C1CO1,醇-O"
|
1316 |
+
},
|
1317 |
+
{
|
1318 |
+
"instruction": "请给我提供这个分子的官能团值。",
|
1319 |
+
"input": "C=CC1(C)CCC=C(C)C(=O)OCC2OC(OC(C)(C=C)CCC=C(C)C(=O)OCC3OC(O1)C(O)C(O)C3O)C(O)C(O)C2O",
|
1320 |
+
"output": "醚-COC,醇-O,酯-CC(=O)OC"
|
1321 |
+
},
|
1322 |
+
{
|
1323 |
+
"instruction": "这个分子的官能团是多少?",
|
1324 |
+
"input": "COc1cc(CCC(=O)O)cc(-c2cc(CCC(=O)O)cc(OC)c2OC2OC(CO)C(O)C(O)C2O)c1O",
|
1325 |
+
"output": "羧酸-O=CO,醚-COC,醚-COC,醇-O"
|
1326 |
+
},
|
1327 |
+
{
|
1328 |
+
"instruction": "请提供该分子的官能团。",
|
1329 |
+
"input": "O=C(O)c1cc2c([nH]c3ccccc32)c(C(O)CO)n1",
|
1330 |
+
"output": "羧酸-O=CO,醇-O"
|
1331 |
+
},
|
1332 |
+
{
|
1333 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
1334 |
+
"input": "CCC(C)C1NC(=O)C(CO)NC(=O)C(Cc2ccccc2)NC(=O)C(C(C)C)NC(=O)CNC(=O)C2CCCN2C1=O",
|
1335 |
+
"output": "胺-N,酰胺-CC(N)=O,醇-O"
|
1336 |
+
},
|
1337 |
+
{
|
1338 |
+
"instruction": "请提供该分子的官能团。",
|
1339 |
+
"input": "CC1=CC2c3cc(C4COc5cc(O)c(C)c(O)c5C4=O)c(O)cc3OC(C)(C)C2CC1",
|
1340 |
+
"output": "酮-CC(C)=O,醚-COC,醇-O"
|
1341 |
+
},
|
1342 |
+
{
|
1343 |
+
"instruction": "你能给我这个分子的官能团吗?",
|
1344 |
+
"input": "COC(=O)Cc1cc(O)cc(CC=C(C)CCC=C(C)C)c1O",
|
1345 |
+
"output": "醚-COC,酯-COC(C)=O,醇-O"
|
1346 |
+
},
|
1347 |
+
{
|
1348 |
+
"instruction": "我对这个分子的官能团很感兴趣,你能告诉我它是什么吗?",
|
1349 |
+
"input": "COC(=O)CC1C2CCC3C4C(=O)OC(C4C(C)C)C(N1C)C32C",
|
1350 |
+
"output": "胺-N,醚-COC,酯-COC(C)=O"
|
1351 |
+
},
|
1352 |
+
{
|
1353 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
1354 |
+
"input": "OCC1OC(Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)C(O)C(O)C1O.[Cl-]",
|
1355 |
+
"output": "醚-COC,醚-COC,醇-O"
|
1356 |
+
},
|
1357 |
+
{
|
1358 |
+
"instruction": "请提供该分子的官能团值。",
|
1359 |
+
"input": "CCN1CC2(CO)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6O)C(O)(C(OC)C23)C14",
|
1360 |
+
"output": "醚-COC,胺-N,醇-O"
|
1361 |
+
},
|
1362 |
+
{
|
1363 |
+
"instruction": "请给我这个分子的官能团。",
|
1364 |
+
"input": "CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C",
|
1365 |
+
"output": "醚-COC,醇-O"
|
1366 |
+
},
|
1367 |
+
{
|
1368 |
+
"instruction": "这个分子的官能团是多少?",
|
1369 |
+
"input": "C=CC(C)(C)c1[nH]c2cc(Br)ccc2c1CCNC",
|
1370 |
+
"output": "胺-N"
|
1371 |
+
},
|
1372 |
+
{
|
1373 |
+
"instruction": "我需要知道这个分子的官能团,你能提供吗?",
|
1374 |
+
"input": "COc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1OC",
|
1375 |
+
"output": "醚-COC,醚-COC"
|
1376 |
+
},
|
1377 |
+
{
|
1378 |
+
"instruction": "你能告诉我这个分子的官能团吗?",
|
1379 |
+
"input": "COc1c(C=O)c(O)cc2c1C(=O)c1ccccc1C2=O",
|
1380 |
+
"output": "醚-COC,酮-CC(C)=O,醛-CC=O,醇-O"
|
1381 |
+
},
|
1382 |
+
{
|
1383 |
+
"instruction": "请提供该分子的官能团。",
|
1384 |
+
"input": "C=C(CCC=C(C)C)C1CCC2(C)C1CCC1C3(C)CCCC(C)(C)C3CCC12C",
|
1385 |
+
"output": ""
|
1386 |
+
},
|
1387 |
+
{
|
1388 |
+
"instruction": "我对这个分子的官能团很感兴趣,你能告诉我它是什么吗?",
|
1389 |
+
"input": "COc1cc2oc(=O)cc(-c3ccccc3)c2cc1O",
|
1390 |
+
"output": "醚-COC,醇-O"
|
1391 |
+
},
|
1392 |
+
{
|
1393 |
+
"instruction": "你能告诉我这个分子的官能团吗?",
|
1394 |
+
"input": "CC1=C2CC3CCC(C)C2(C=C1)C3(C)C",
|
1395 |
+
"output": ""
|
1396 |
+
},
|
1397 |
+
{
|
1398 |
+
"instruction": "你能告诉我这个分子的官能团值吗?",
|
1399 |
+
"input": "O=C1C=CCC1",
|
1400 |
+
"output": "酮-CC(C)=O"
|
1401 |
+
},
|
1402 |
+
{
|
1403 |
+
"instruction": "请提供该分子的官能团。",
|
1404 |
+
"input": "CC1=C(C)CCCCCC1",
|
1405 |
+
"output": ""
|
1406 |
+
},
|
1407 |
+
{
|
1408 |
+
"instruction": "请提供该分子的官能团。",
|
1409 |
+
"input": "OCC1CCCCCCC1",
|
1410 |
+
"output": "醇-O"
|
1411 |
+
},
|
1412 |
+
{
|
1413 |
+
"instruction": "这个分子的官能团是多少?",
|
1414 |
+
"input": "C1CCCCCCC1",
|
1415 |
+
"output": ""
|
1416 |
+
},
|
1417 |
+
{
|
1418 |
+
"instruction": "这个分子的官能团是多少?",
|
1419 |
+
"input": "C=C(C)C(C)(C)CCC(C)C1CCC2(C)C3CCC4C(C)(C)C(=O)CCC45CC35CCC12C",
|
1420 |
+
"output": "酮-CC(C)=O"
|
1421 |
+
},
|
1422 |
+
{
|
1423 |
+
"instruction": "我需要知道这个分子的官能团,你能提供吗?",
|
1424 |
+
"input": "CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(C)(C2C(O)CC3(C)C4CC(O)C5C(C)(C)C(OC6OC(CO)C(O)C(O)C6O)CCC56CC46CCC23C)O1",
|
1425 |
+
"output": "醚-COC,醇-O"
|
1426 |
+
},
|
1427 |
+
{
|
1428 |
+
"instruction": "请提供该分子的官能团。",
|
1429 |
+
"input": "Oc1cc(O)c2cc(OC3OC(COC4OCC(O)C(O)C4O)C(O)C(O)C3O)c(-c3ccc(O)c(O)c3)[o+]c2c1",
|
1430 |
+
"output": "醚-COC,醚-COC,醇-O"
|
1431 |
+
},
|
1432 |
+
{
|
1433 |
+
"instruction": "请提供该分子的官能团。",
|
1434 |
+
"input": "CC1OC(OCC2OC(Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C(O)C1O.[Cl-]",
|
1435 |
+
"output": "醚-COC,醚-COC,醇-O"
|
1436 |
+
},
|
1437 |
+
{
|
1438 |
+
"instruction": "请提供该分子的官能团。",
|
1439 |
+
"input": "C=C(C)C1CCC2(C(=O)OC3OC(COC4OC(CO)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC43C)C12",
|
1440 |
+
"output": "醚-COC,酯-COC(C)=O,醇-O"
|
1441 |
+
},
|
1442 |
+
{
|
1443 |
+
"instruction": "请给我这个分子的官能团。",
|
1444 |
+
"input": "O=C(OCC1(O)COC(OC2C(Oc3ccc(O)cc3)OC(CO)C(O)C2O)C1O)c1ccccc1",
|
1445 |
+
"output": "醚-COC,酯-CC(=O)OC,醚-COC,醇-O"
|
1446 |
+
},
|
1447 |
+
{
|
1448 |
+
"instruction": "你能给我这个分子的官能团吗?",
|
1449 |
+
"input": "CC=C1CC(C)C(C)(O)C(=O)OCC2=CCN3CC(O)C(OC1=O)C23",
|
1450 |
+
"output": "酯-CC(=O)OC,胺-N,酯-COC(C)=O,醚-COC,醇-O"
|
1451 |
+
},
|
1452 |
+
{
|
1453 |
+
"instruction": "请提供该分子的官能团。",
|
1454 |
+
"input": "CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O",
|
1455 |
+
"output": "酮-CC(C)=O,醇-O"
|
1456 |
+
},
|
1457 |
+
{
|
1458 |
+
"instruction": "请提供该分子的官能团。",
|
1459 |
+
"input": "CC1=CCC2C3C(C(C)C)C(O)CC2(C)C13",
|
1460 |
+
"output": "醇-O"
|
1461 |
+
},
|
1462 |
+
{
|
1463 |
+
"instruction": "这个分子的官能团是多少?",
|
1464 |
+
"input": "CC=C1CN(C)C2Cc3c([nH]c4ccccc34)C(c3cc4c5c([nH]c4cc3OC)C3(C(=O)OC)CC4CC(CC)C3N(CC5)C4)CC1C2C(=O)OC",
|
1465 |
+
"output": "醚-COC,醚-COC,酯-COC(C)=O,胺-N"
|
1466 |
+
},
|
1467 |
+
{
|
1468 |
+
"instruction": "我对这个分子的官能团很感兴趣,你能告诉我它是什么吗?",
|
1469 |
+
"input": "CC(C1OC1C1OC1(C)C)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3CCC12C",
|
1470 |
+
"output": "酮-CC(C)=O,醚-C1CO1"
|
1471 |
+
},
|
1472 |
+
{
|
1473 |
+
"instruction": "这个分子的官能团是多少?",
|
1474 |
+
"input": "CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)O)CCC45C)C3(C)C)OCC(O)C2O)C(O)C(OC2OCC(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C1O",
|
1475 |
+
"output": "羧酸-O=CO,醚-COC,醇-O"
|
1476 |
+
},
|
1477 |
+
{
|
1478 |
+
"instruction": "这个分子的官能团是多少?",
|
1479 |
+
"input": "CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OCC(O)C(O)C8OC8OC(C)C(O)C(OC9OCC(OC%10OC(CO)C(O)C(O)C%10O)C(O)C9O)C8O)C(C)(CO)C7CCC6(C)C4(C)CC5)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O",
|
1480 |
+
"output": "醚-COC,酯-COC(C)=O,醇-O"
|
1481 |
+
},
|
1482 |
+
{
|
1483 |
+
"instruction": "这个分子的官能团是多少?",
|
1484 |
+
"input": "C=C1CCC2(C(=O)OC3OC(COC4OC(CO)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C6O)C(C)(C)C5CCC43C)C2C1",
|
1485 |
+
"output": "醚-COC,酯-COC(C)=O,醇-O"
|
1486 |
+
},
|
1487 |
+
{
|
1488 |
+
"instruction": "请给我提供这个分子的官能团值。",
|
1489 |
+
"input": "CC(=O)C=C=C1C(C)(C)CC(O)CC1(C)OC1OC(CO)C(O)C(O)C1O",
|
1490 |
+
"output": "酮-CC(C)=O,醚-COC,醇-O"
|
1491 |
+
},
|
1492 |
+
{
|
1493 |
+
"instruction": "我对这个分子的官能团很感兴趣,你能告诉我它是多少吗?",
|
1494 |
+
"input": "CC=CC=CC(O)CC(O)CCO",
|
1495 |
+
"output": "醇-O"
|
1496 |
+
},
|
1497 |
+
{
|
1498 |
+
"instruction": "你能给我这个分子的官能团吗?",
|
1499 |
+
"input": "C=CC(O)C#CC#CC(O)C=CCCCCCCC",
|
1500 |
+
"output": "醇-O"
|
1501 |
+
},
|
1502 |
+
{
|
1503 |
+
"instruction": "这个分子的官能团是多少?",
|
1504 |
+
"input": "CC(=O)C=C=C1C(C)(C)CC(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)CC1(C)O",
|
1505 |
+
"output": "酮-CC(C)=O,醚-COC,醇-O"
|
1506 |
+
},
|
1507 |
+
{
|
1508 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
1509 |
+
"input": "COc1cc2c(c(OC)c1OC)C(=O)c1c(cc(C)c(O)c1OC)C2=O",
|
1510 |
+
"output": "醚-COC,酮-CC(C)=O,醇-O"
|
1511 |
+
},
|
1512 |
+
{
|
1513 |
+
"instruction": "请提供该分子的官能团值。",
|
1514 |
+
"input": "C=Cc1c(C)c2cc3nc(c(CC(=O)[O-])c4[n-]c(cc5nc(cc1[n-]2)C(C)=C5CC)c(C)c4C(=O)[O-])C(CCC(=O)[O-])C3C.[Cu+2].[Na+].[Na+].[Na+]",
|
1515 |
+
"output": ""
|
1516 |
+
},
|
1517 |
+
{
|
1518 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
1519 |
+
"input": "CCC12C=CCN3CCC4(c5ccccc5N(C)C4C(O)(C(=O)OC)C1O)C32",
|
1520 |
+
"output": "胺-N,醚-COC,酯-COC(C)=O,醇-O"
|
1521 |
+
},
|
1522 |
+
{
|
1523 |
+
"instruction": "我对这个分子的官能团很感兴趣,你能告诉我它是多少吗?",
|
1524 |
+
"input": "Oc1cc(O)c2c(c1)CC1c3cc(O)c(O)cc3C2c2c(O)cc(O)cc21",
|
1525 |
+
"output": "醇-O"
|
1526 |
+
},
|
1527 |
+
{
|
1528 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
1529 |
+
"input": "OC1CC=C2CCN3Cc4cc5c(cc4C1C23)OCO5",
|
1530 |
+
"output": "醚-COC,胺-N,醇-O"
|
1531 |
+
},
|
1532 |
+
{
|
1533 |
+
"instruction": "这个分子的官能团是多少?",
|
1534 |
+
"input": "COc1ccc(-c2oc3c(CC=C(C)C)c(OC4OC(CO)C(O)C(O)C4O)cc(O)c3c(=O)c2OC2OC(C)C(OC(C)=O)C(OC3OC(COC(C)=O)C(OC(C)=O)C(O)C3O)C2O)cc1",
|
1535 |
+
"output": "醚-COC,醚-COC,酯-COC(C)=O,醇-O"
|
1536 |
+
},
|
1537 |
+
{
|
1538 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
1539 |
+
"input": "C=C(C)C1CCC2(C)C(O)CC(O)C(=C)C2(O)C1",
|
1540 |
+
"output": "醇-O"
|
1541 |
+
},
|
1542 |
+
{
|
1543 |
+
"instruction": "这个分子的官能团是多少?",
|
1544 |
+
"input": "COc1cc(C2c3cc(O)c(OC)cc3C=C(C(=O)NCCc3ccc(O)cc3)C2C(=O)NCCc2ccc(O)cc2)ccc1O",
|
1545 |
+
"output": "醚-COC,胺-N,酰胺-CC(N)=O,醇-O"
|
1546 |
+
},
|
1547 |
+
{
|
1548 |
+
"instruction": "这个分子的官能团是多少?",
|
1549 |
+
"input": "CC(C)=CCCC1(C)C2CCC1(C)C(O)C2",
|
1550 |
+
"output": "醇-O"
|
1551 |
+
},
|
1552 |
+
{
|
1553 |
+
"instruction": "这个分子的官能团是多少?",
|
1554 |
+
"input": "OCC1OC(Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)C(O)C(O)C1O",
|
1555 |
+
"output": "醚-COC,醚-COC,醇-O"
|
1556 |
+
},
|
1557 |
+
{
|
1558 |
+
"instruction": "请提供该分子的官能团。",
|
1559 |
+
"input": "CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC(C)C(C)C3O",
|
1560 |
+
"output": "醚-COC,醇-O"
|
1561 |
+
},
|
1562 |
+
{
|
1563 |
+
"instruction": "你能给我这个分子的官能团吗?",
|
1564 |
+
"input": "C=C1C(NC)CCC23CC24CCC2(C)C(C(C)=O)C(O)CC2(C)C4CCC13",
|
1565 |
+
"output": "酮-CC(C)=O,胺-N,醇-O"
|
1566 |
+
},
|
1567 |
+
{
|
1568 |
+
"instruction": "这个分子的官能团是多少?",
|
1569 |
+
"input": "CCCCOC(=O)CC",
|
1570 |
+
"output": "醚-COC,酯-COC(C)=O"
|
1571 |
+
},
|
1572 |
+
{
|
1573 |
+
"instruction": "你能告诉我这个分子官能团吗?",
|
1574 |
+
"input": "CCC(C)CCC(O)C1C(=O)OCC1CO",
|
1575 |
+
"output": "醚-COC,酯-COC(C)=O,醇-O"
|
1576 |
+
},
|
1577 |
+
{
|
1578 |
+
"instruction": "请提供该分子的官能团值。",
|
1579 |
+
"input": "CC12CC3OC(=O)CC3(CCO1)O2",
|
1580 |
+
"output": "醚-COC,酯-COC(C)=O"
|
1581 |
+
},
|
1582 |
+
{
|
1583 |
+
"instruction": "请提供该分子的官能团。",
|
1584 |
+
"input": "C=C1C=CC(O)C2(C)C1CC1OC(=O)C(O)C3(O)C4(C)OCC13C2C(O)C4O",
|
1585 |
+
"output": "醚-COC,酯-COC(C)=O,醇-O"
|
1586 |
+
},
|
1587 |
+
{
|
1588 |
+
"instruction": "这个分子的官能团是多少?",
|
1589 |
+
"input": "CC(C)=CCc1cc(C(=O)C=Cc2ccc(O)c(O)c2)c(O)cc1O",
|
1590 |
+
"output": "酮-CC(C)=O,醇-O"
|
1591 |
+
},
|
1592 |
+
{
|
1593 |
+
"instruction": "这个分子的官能团是多少?",
|
1594 |
+
"input": "CC(C)=CCc1cc(CCCc2ccc(O)cc2O)ccc1O",
|
1595 |
+
"output": "醇-O"
|
1596 |
+
},
|
1597 |
+
{
|
1598 |
+
"instruction": "请提供该分子的官能团值。",
|
1599 |
+
"input": "CC(CCC(O)C(C)(C)O)C1C(O)CC2(C)C3CC(OC4OC(CO)C(O)C(O)C4O)C4C(C)(C)C(OC5OCC(O)C(OC6OCC(O)C(O)C6O)C5O)CCC45CC35CCC12C",
|
1600 |
+
"output": "醚-COC,醇-O"
|
1601 |
+
},
|
1602 |
+
{
|
1603 |
+
"instruction": "我对这个分子的官能团很感兴趣,你能告诉我它是多少吗?",
|
1604 |
+
"input": "COC1C(O)C(C)OC(OC2CCC3(C)C4C(O)CC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)C1O",
|
1605 |
+
"output": "醚-COC,醇-O,酯-CC(=O)OC"
|
1606 |
+
},
|
1607 |
+
{
|
1608 |
+
"instruction": "请提供该分子的官能团值。",
|
1609 |
+
"input": "COc1ccc(-c2coc3cc(OC4OC(COC5OCC(O)(COC6OCC(O)(CO)C6O)C5O)C(O)C(O)C4O)cc(O)c3c2=O)cc1",
|
1610 |
+
"output": "醚-COC,醚-COC,醇-O"
|
1611 |
+
},
|
1612 |
+
{
|
1613 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
1614 |
+
"input": "CCC=CC=CC(=O)O",
|
1615 |
+
"output": "羧酸-O=CO,醇-O"
|
1616 |
+
},
|
1617 |
+
{
|
1618 |
+
"instruction": "这个分子的官能团是多少?",
|
1619 |
+
"input": "O=C1CC2CC(C1)C2",
|
1620 |
+
"output": "酮-CC(C)=O"
|
1621 |
+
},
|
1622 |
+
{
|
1623 |
+
"instruction": "请提供该分子的官能团。",
|
1624 |
+
"input": "COC12CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C(C)C1(CCC(C)CO1)O2",
|
1625 |
+
"output": "醚-COC,醇-O"
|
1626 |
+
},
|
1627 |
+
{
|
1628 |
+
"instruction": "请提供该分子的官能团值。",
|
1629 |
+
"input": "C=CC(=C)CCC=C(C)CCC=C(C)C=O",
|
1630 |
+
"output": "醛-CC=O"
|
1631 |
+
},
|
1632 |
+
{
|
1633 |
+
"instruction": "你能给我这个分子的官能团?",
|
1634 |
+
"input": "COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2",
|
1635 |
+
"output": "醚-COC"
|
1636 |
+
},
|
1637 |
+
{
|
1638 |
+
"instruction": "请提供该分子的官能团。",
|
1639 |
+
"input": "COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1C(Cc1ccc(O)c(c1)Oc1ccc(cc1)CC3N(C)CC2)N(C)CC4",
|
1640 |
+
"output": "醚-COC,醚-COC,胺-N,醇-O"
|
1641 |
+
},
|
1642 |
+
{
|
1643 |
+
"instruction": "你能给我这个分子的官能团?",
|
1644 |
+
"input": "O=C(Cc1ccccc1)OCC=Cc1ccccc1",
|
1645 |
+
"output": "醚-COC,酯-COC(C)=O"
|
1646 |
+
},
|
1647 |
+
{
|
1648 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
1649 |
+
"input": "CN1C2CCC1CC(OC(=O)C1CCC(C(=O)OC3CC4CCC(C3)N4C)(c3ccccc3)c3ccccc31)C2",
|
1650 |
+
"output": "胺-N,醚-COC,酯-COC(C)=O"
|
1651 |
+
},
|
1652 |
+
{
|
1653 |
+
"instruction": "你能告诉我这个分子的官能团值吗?",
|
1654 |
+
"input": "CC(=O)OC1C(O)C(C2(C)CCC(C(C)(C)O)O2)C2(C)C(O)CC34CC35CCC(OC3OCC(O)C(O)C3O)C(C)(C)C5CCC4C12C",
|
1655 |
+
"output": "醚-COC,酯-COC(C)=O,醇-O"
|
1656 |
+
},
|
1657 |
+
{
|
1658 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
1659 |
+
"input": "OCC1=CCC2C=COC(OC3OC(CO)C(O)C(O)C3O)C12",
|
1660 |
+
"output": "醚-COC,醇-O"
|
1661 |
+
},
|
1662 |
+
{
|
1663 |
+
"instruction": "你能给我这个分子的官能团?",
|
1664 |
+
"input": "O=C(O)C1CCN(Cc2ccccc2)C1",
|
1665 |
+
"output": "羧酸-O=CO,胺-N,醇-O"
|
1666 |
+
},
|
1667 |
+
{
|
1668 |
+
"instruction": "这个分子的官能团是多少?",
|
1669 |
+
"input": "C=C1C(=O)OC2CC(C)=CC(O)CC3(C)OC3CC12",
|
1670 |
+
"output": "醚-COC,醚-C1CO1,醇-O,酯-CC(=O)OC"
|
1671 |
+
},
|
1672 |
+
{
|
1673 |
+
"instruction": "请提供该分子的官能团。",
|
1674 |
+
"input": "O=c1cc(-c2ccccc2)oc2cc(OC3OC(CO)C(O)C(O)C3O)c(O)c(O)c12",
|
1675 |
+
"output": "醚-COC,醚-COC,醇-O"
|
1676 |
+
},
|
1677 |
+
{
|
1678 |
+
"instruction": "请给我提供这个分子的官能团值。",
|
1679 |
+
"input": "CC(C)=CC1CC(C)(O)C2C3CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(C)C5CCC4(C)C34COC2(C4)O1",
|
1680 |
+
"output": "醚-COC,醇-O"
|
1681 |
+
},
|
1682 |
+
{
|
1683 |
+
"instruction": "这个分子的官能团是多少?",
|
1684 |
+
"input": "CC(=O)OC1CC2C(C)(C)C(OC3OCC(O)C(O)C3O)C=CC2(C)C2CCC3(C)C(c4ccoc4)OC(=O)C4OC43C12C",
|
1685 |
+
"output": "醚-COC,醚-C1CO1,酯-COC(C)=O,醇-O"
|
1686 |
+
},
|
1687 |
+
{
|
1688 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
1689 |
+
"input": "CC(C)CC(=O)OCCC(O)C=CC=CC#CC#CC=CCO",
|
1690 |
+
"output": "醚-COC,酯-COC(C)=O,醇-O"
|
1691 |
+
},
|
1692 |
+
{
|
1693 |
+
"instruction": "请提供该分子的官能团。",
|
1694 |
+
"input": "CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CC(OC5OC(CO)C(O)C(O)C5O)C5C(C)(C)C(OC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CCC56CC46CCC23C)O1",
|
1695 |
+
"output": "醚-COC,醇-O"
|
1696 |
+
},
|
1697 |
+
{
|
1698 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
1699 |
+
"input": "CC(CCC(O)C(C)(C)O)C1C(OC2OC(CO)C(O)C(O)C2O)CC2(C)C3CC(O)C4C(C)(C)C(OC5OCC(O)C(O)C5OC5OC(C)C(O)C(O)C5O)CCC45CC35CCC12C",
|
1700 |
+
"output": "醚-COC,醇-O"
|
1701 |
+
},
|
1702 |
+
{
|
1703 |
+
"instruction": "这个分子的官能团是多少?",
|
1704 |
+
"input": "CC1CCC2(C(=O)OC3OC(COC4OC(CO)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC43C)C2C1C",
|
1705 |
+
"output": "醚-COC,酯-COC(C)=O,醇-O"
|
1706 |
+
},
|
1707 |
+
{
|
1708 |
+
"instruction": "这个分子的官能团是多少?",
|
1709 |
+
"input": "CC1OC(OC2C(O)C(C)OC(OC3C(CO)OC(Oc4c(-c5ccc(O)cc5)oc5cc(O)cc(O)c5c4=O)C(O)C3O)C2O)C(O)C(O)C1O",
|
1710 |
+
"output": "醚-COC,醚-COC,醇-O"
|
1711 |
+
},
|
1712 |
+
{
|
1713 |
+
"instruction": "这个分子的官能团是多少?",
|
1714 |
+
"input": "COC(=O)c1cc2c(c3c1c([N+](=O)[O-])cc1ccccc13)OCO2",
|
1715 |
+
"output": "醚-COC,醚-COC,胺-[N+],酯-CC(=O)OC"
|
1716 |
+
},
|
1717 |
+
{
|
1718 |
+
"instruction": "这个分子的官能团是多少?",
|
1719 |
+
"input": "CC1OC(OC2C(OC3COC(OC4CCC5(C)C(CCC6(C)C5CCC57OCC8(CCC(C)(C=O)CC85)C(=O)CC67C)C4(C)C)C(OC4OC(CO)C(O)C(O)C4O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O",
|
1720 |
+
"output": "酮-CC(C)=O,醚-COC,醛-CC=O,醇-O"
|
1721 |
+
},
|
1722 |
+
{
|
1723 |
+
"instruction": "这个分子的官能团是多少?",
|
1724 |
+
"input": "COc1cc(CC2COC(=O)C2Cc2ccc(OC(CO)C(O)c3ccc(O)c(OC)c3)c(OC)c2)ccc1O",
|
1725 |
+
"output": "醚-COC,醚-COC,酯-COC(C)=O,醇-O"
|
1726 |
+
},
|
1727 |
+
{
|
1728 |
+
"instruction": "你能给我这个分子的官能团?",
|
1729 |
+
"input": "CCCCCC=CCC=CCC=CCC=CCCCC(=O)O",
|
1730 |
+
"output": "羧酸-O=CO,醇-O"
|
1731 |
+
},
|
1732 |
+
{
|
1733 |
+
"instruction": "请提供该分子的官能团。",
|
1734 |
+
"input": "COc1c(O)c(O)c(OC2OC(C(=O)O)C(O)C(O)C2O)c2oc(-c3ccc(O)cc3)cc(=O)c12",
|
1735 |
+
"output": "羧酸-O=CO,醚-COC,醚-COC,醇-O"
|
1736 |
+
},
|
1737 |
+
{
|
1738 |
+
"instruction": "请给我提供这个分子的官能团。",
|
1739 |
+
"input": "CC1OC(OC2C(Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)OC(CO)C(O)C2O)C(O)C(O)C1O",
|
1740 |
+
"output": "醚-COC,醚-COC,醇-O"
|
1741 |
+
},
|
1742 |
+
{
|
1743 |
+
"instruction": "请提供该分子的官能团。",
|
1744 |
+
"input": "CCCCCCCCCCC(O)C1CCC(C2CCC(C(O)CCCCC(O)CCCCCC(O)CC3=CC(C)OC3=O)O2)O1",
|
1745 |
+
"output": "醚-COC,醇-O,酯-CC(=O)OC"
|
1746 |
+
},
|
1747 |
+
{
|
1748 |
+
"instruction": "请给我提供这个分子的官能团。",
|
1749 |
+
"input": "CC1=C(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C12",
|
1750 |
+
"output": "醚-COC,醇-O"
|
1751 |
+
},
|
1752 |
+
{
|
1753 |
+
"instruction": "请给我提供这个分子的官能团值。",
|
1754 |
+
"input": "COc1cc(OC)c2c(c1-c1ccc(OC)c3c(OC)cc(C)cc13)CC(C)N(C)C2C",
|
1755 |
+
"output": "醚-COC,胺-N"
|
1756 |
+
},
|
1757 |
+
{
|
1758 |
+
"instruction": "你能给我这个分子的官能团吗?",
|
1759 |
+
"input": "CN(C)NC(=O)CCC(=O)O",
|
1760 |
+
"output": "羧酸-O=CO,胺-N,酰胺-CC(N)=O,醇-O"
|
1761 |
+
},
|
1762 |
+
{
|
1763 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
1764 |
+
"input": "CC=C1C(=O)OCC2C3Cc4c(n(C)c5ccccc45)C(CC12)N3",
|
1765 |
+
"output": "醚-COC,胺-N,酯-CC(=O)OC"
|
1766 |
+
},
|
1767 |
+
{
|
1768 |
+
"instruction": "这个分子的官能团是多少?",
|
1769 |
+
"input": "CC1(C)C=Cc2c(cc3occ(-c4ccc(O)cc4)c(=O)c3c2O)O1",
|
1770 |
+
"output": "醚-COC,醇-O"
|
1771 |
+
},
|
1772 |
+
{
|
1773 |
+
"instruction": "我对这个分子的官能团很感兴趣,你能告诉我它是多少吗?",
|
1774 |
+
"input": "CC(C)=CCc1occc1C",
|
1775 |
+
"output": ""
|
1776 |
+
},
|
1777 |
+
{
|
1778 |
+
"instruction": "你能告诉我这个分子的官能团吗?",
|
1779 |
+
"input": "CC(C(O)CCC(C)(C)O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C",
|
1780 |
+
"output": "酮-CC(C)=O,醇-O"
|
1781 |
+
},
|
1782 |
+
{
|
1783 |
+
"instruction": "请提供该分子的官能团。",
|
1784 |
+
"input": "CC(C)OC(C)(C)c1ccccc1",
|
1785 |
+
"output": "醚-COC"
|
1786 |
+
},
|
1787 |
+
{
|
1788 |
+
"instruction": "我对这个分子的官能团很感兴趣,你能告诉我它是多少吗?",
|
1789 |
+
"input": "CC1OC(OCc2cc(O)c3c(c2)C(C2OC(CO)C(O)C(O)C2O)c2cccc(O)c2C3=O)C(O)C(O)C1O",
|
1790 |
+
"output": "酮-CC(C)=O,醚-COC,醇-O"
|
1791 |
+
},
|
1792 |
+
{
|
1793 |
+
"instruction": "这个分子的官能团是多少?",
|
1794 |
+
"input": "O=C1c2c(O)cccc2C(C2c3cccc(O)c3C(=O)c3c(O)cc(CO)cc32)c2cc(CO)cc(O)c21",
|
1795 |
+
"output": "酮-CC(C)=O,醇-O"
|
1796 |
+
},
|
1797 |
+
{
|
1798 |
+
"instruction": "请给我提供这个分子的官能团值。",
|
1799 |
+
"input": "COC(=O)C1=COC2OC3C(C(C)O)C(=O)OC34C=CC1C24",
|
1800 |
+
"output": "醚-COC,酯-COC(C)=O,醇-O,酯-CC(=O)OC"
|
1801 |
+
},
|
1802 |
+
{
|
1803 |
+
"instruction": "你能告诉我这个分子的官能团吗?",
|
1804 |
+
"input": "O=CC(O)C(O)C(O)C(O)CO",
|
1805 |
+
"output": "醛-CC=O,醇-O"
|
1806 |
+
},
|
1807 |
+
{
|
1808 |
+
"instruction": "请提供该分子的官能团。",
|
1809 |
+
"input": "CC(C)=CCc1c(-c2ccc(O)cc2O)oc2c(C=CC3(C)CC(C)=CC(c4c(O)cc(O)c5c(=O)c(CC=C(C)C)c(-c6ccc(O)cc6O)oc45)C3)c(O)cc(O)c2c1=O",
|
1810 |
+
"output": "醇-O"
|
1811 |
+
},
|
1812 |
+
{
|
1813 |
+
"instruction": "你能给我这个分子的官能团?",
|
1814 |
+
"input": "CC1=C(CO)C(=O)OC(C(C)(O)C2(O)CCC3(O)C4CC=C5C=CCC(=O)C5(C)C4CCC32C)C1",
|
1815 |
+
"output": "酮-CC(C)=O,醚-COC,醇-O,酯-CC(=O)OC"
|
1816 |
+
},
|
1817 |
+
{
|
1818 |
+
"instruction": "请提供该分子的官能团。",
|
1819 |
+
"input": "CC(=O)OC1C(OC2CCC34CC35CCC3(C)C(C6(C)CCC(C(C)(C)OC7OC(CO)C(O)C(O)C7O)O6)C(O)CC3(C)C5CC(OC3OC(CO)C(O)C(O)C3O)C4C2(C)C)OCC(O)C1O",
|
1820 |
+
"output": "醚-COC,酯-COC(C)=O,醇-O"
|
1821 |
+
},
|
1822 |
+
{
|
1823 |
+
"instruction": "这个分子的官能团是多少?",
|
1824 |
+
"input": "COc1ccc(-c2cc(=O)c3c(O)cc(OC4OC(COC(C)=O)C(O)C(O)C4O)cc3o2)cc1",
|
1825 |
+
"output": "醚-COC,醚-COC,酯-COC(C)=O,醇-O"
|
1826 |
+
},
|
1827 |
+
{
|
1828 |
+
"instruction": "请提供该分子的官能团。",
|
1829 |
+
"input": "CC=C1CN2C3CC1C(CO)C2Cc1c3n(C)c2ccccc12",
|
1830 |
+
"output": "胺-N,醇-O"
|
1831 |
+
},
|
1832 |
+
{
|
1833 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
1834 |
+
"input": "CC1(C(=O)O)CCCC2(C)C1CCC13CC(CC(O)C12)C(O)(CO)C3=O",
|
1835 |
+
"output": "羧酸-O=CO,酮-CC(C)=O,醇-O"
|
1836 |
+
},
|
1837 |
+
{
|
1838 |
+
"instruction": "请给我提供这个分子的官能团值。",
|
1839 |
+
"input": "CCCCCCCCCC=C1C(=O)OC(C)(OC)C1O",
|
1840 |
+
"output": "醚-COC,醇-O,酯-CC(=O)OC"
|
1841 |
+
},
|
1842 |
+
{
|
1843 |
+
"instruction": "请提供该分子的官能团。",
|
1844 |
+
"input": "C=C1CCC(O)C(C)(C)C1CCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)C",
|
1845 |
+
"output": "醇-O"
|
1846 |
+
},
|
1847 |
+
{
|
1848 |
+
"instruction": "你能给我这个分子的官能团吗?",
|
1849 |
+
"input": "CC(=O)OCC1=COC(OC(=O)CC(C)C)C2C1=CC(OC(=O)CC(C)(C)OC(C)=O)C21CO1",
|
1850 |
+
"output": "醚-COC,酯-COC(C)=O,醚-C1CO1"
|
1851 |
+
},
|
1852 |
+
{
|
1853 |
+
"instruction": "这个分子的官能团是多少?",
|
1854 |
+
"input": "CC=C1COC(C=C(C)C(=O)OC2CC3(C(=O)O)C(O)CC4(C)C(=CCC5C6(C)CCC(O)C(C)(C)C6CCC54C)C3CC2(C)C)C1",
|
1855 |
+
"output": "羧酸-O=CO,醚-COC,醇-O,酯-CC(=O)OC"
|
1856 |
+
},
|
1857 |
+
{
|
1858 |
+
"instruction": "我对这个分子的官能团很感兴趣,你能告诉我它是多少吗?",
|
1859 |
+
"input": "COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1",
|
1860 |
+
"output": "醚-COC,醇-O"
|
1861 |
+
},
|
1862 |
+
{
|
1863 |
+
"instruction": "这个分子的官能团是多少?",
|
1864 |
+
"input": "COC(=O)C1OC(OC2C(OC3CCC45CC46CCC4(C)C(C(C)C7CC=C(C)C(=O)O7)CCC4(C)C6CCC5C3(C)C(=O)O)OC(CO)C(O)C2O)C(O)C(O)C1O",
|
1865 |
+
"output": "酯-CC(=O)OC,酯-COC(C)=O,醚-COC,醇-O,羧酸-O=CO"
|
1866 |
+
},
|
1867 |
+
{
|
1868 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
1869 |
+
"input": "CCCCCC=CC=CC(O)CCCCCCCC(=O)O",
|
1870 |
+
"output": "羧酸-O=CO,醇-O"
|
1871 |
+
},
|
1872 |
+
{
|
1873 |
+
"instruction": "你能给我这个分子的官能团吗?",
|
1874 |
+
"input": "Cc1ccc(C(C)CO)c(O)c1",
|
1875 |
+
"output": "醇-O"
|
1876 |
+
},
|
1877 |
+
{
|
1878 |
+
"instruction": "这个分子的官能团是多少?",
|
1879 |
+
"input": "C=CC1(C)C=C2C(=O)CC3C(C)(C)CCCC3(C)C2(O)CC1",
|
1880 |
+
"output": "酮-CC(C)=O,醇-O"
|
1881 |
+
},
|
1882 |
+
{
|
1883 |
+
"instruction": "你能给我这个分子的官能团?",
|
1884 |
+
"input": "Cc1cc(O)cc2c1OC(C)(CCCC(C)CCCC(C)CCCC(C)C)CC2",
|
1885 |
+
"output": "醚-COC,醇-O"
|
1886 |
+
},
|
1887 |
+
{
|
1888 |
+
"instruction": "你能告诉我这个分子的官能团吗?",
|
1889 |
+
"input": "COc1c2c3c(ccc2c2ccc4cc5c(cc4c2[n+]1C)OCO5)OCO3",
|
1890 |
+
"output": "醚-COC"
|
1891 |
+
},
|
1892 |
+
{
|
1893 |
+
"instruction": "你能给我这个分子的官能团?",
|
1894 |
+
"input": "COc1ccc2c(c(OC)nc3c4cc5c(cc4ccc23)OCO5)c1O",
|
1895 |
+
"output": "醚-COC,醇-O"
|
1896 |
+
},
|
1897 |
+
{
|
1898 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
1899 |
+
"input": "COc1ccc2ccc(=O)oc2c1C=O",
|
1900 |
+
"output": "醚-COC,醛-CC=O"
|
1901 |
+
},
|
1902 |
+
{
|
1903 |
+
"instruction": "这个分子的官能团是多少?",
|
1904 |
+
"input": "CC1C(=O)OC2C1C(OC(=O)C1(C)CO1)CC(C)C1(O)C=CC(=O)C21C",
|
1905 |
+
"output": "酮-CC(C)=O,酯-COC(C)=O,醚-C1CO1,醚-COC,醇-O"
|
1906 |
+
},
|
1907 |
+
{
|
1908 |
+
"instruction": "这个分子的官能团是多少?",
|
1909 |
+
"input": "CCN1CC2CCC(OC)C34C2CC(C13)C1(OC(C)=O)CC(OC)C2CC4C1C2OC(C)=O",
|
1910 |
+
"output": "胺-N,醚-COC,酯-COC(C)=O"
|
1911 |
+
},
|
1912 |
+
{
|
1913 |
+
"instruction": "你能给我这个分子的官能团吗?",
|
1914 |
+
"input": "CCC=CCC=CCC=CCCCCCC(=O)O",
|
1915 |
+
"output": "羧酸-O=CO,醇-O"
|
1916 |
+
},
|
1917 |
+
{
|
1918 |
+
"instruction": "我对这个分子的官能团很感兴趣,你能告诉我它是什么吗?",
|
1919 |
+
"input": "CCCCCCCC(C)CCCCCC",
|
1920 |
+
"output": ""
|
1921 |
+
},
|
1922 |
+
{
|
1923 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
1924 |
+
"input": "COc1cc2c(O)c3c4c(c(OC)c(OC)c(OC)c4c2cc1OC)CCN3C",
|
1925 |
+
"output": "醚-COC,胺-N,醇-O"
|
1926 |
+
},
|
1927 |
+
{
|
1928 |
+
"instruction": "这个分子的官能团是多少?",
|
1929 |
+
"input": "COc1c(O)ccc2oc3ccccc3c(=O)c12",
|
1930 |
+
"output": "醚-COC,醇-O"
|
1931 |
+
},
|
1932 |
+
{
|
1933 |
+
"instruction": "请给我这个分子的官能团。",
|
1934 |
+
"input": "CCCCCCCC(C)CC(C)CCCCCC",
|
1935 |
+
"output": ""
|
1936 |
+
},
|
1937 |
+
{
|
1938 |
+
"instruction": "这个分子的官能团是多少?",
|
1939 |
+
"input": "CCC=CCC=CCC=CCCCC(C)=O",
|
1940 |
+
"output": "酮-CC(C)=O"
|
1941 |
+
},
|
1942 |
+
{
|
1943 |
+
"instruction": "请给我提供这个分子的官能团。",
|
1944 |
+
"input": "COc1ccc(C2Cc3cc(OC)cc(OC4OC(CO)C(O)C(O)C4O)c3C(=O)O2)cc1",
|
1945 |
+
"output": "醚-COC,酯-CC(=O)OC,醚-COC,醇-O"
|
1946 |
+
},
|
1947 |
+
{
|
1948 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
1949 |
+
"input": "COc1c(O)cc2oc(-c3ccc(O)cc3)c(O)c(=O)c2c1O",
|
1950 |
+
"output": "醚-COC,醇-O"
|
1951 |
+
},
|
1952 |
+
{
|
1953 |
+
"instruction": "你能给我这个分子的官能团?",
|
1954 |
+
"input": "COc1c(O)c(C=O)c2c(O)cc(C)cc2c1C(C)C",
|
1955 |
+
"output": "醚-COC,醛-CC=O,醇-O"
|
1956 |
+
},
|
1957 |
+
{
|
1958 |
+
"instruction": "请给我提供这个分子的官能团值。",
|
1959 |
+
"input": "CCCCCC(CC(=O)CCc1ccc(O)c(OC)c1)S(=O)(=O)O",
|
1960 |
+
"output": "醚-COC,酮-CC(C)=O,磺酸-O=S(=O)O,醇-O"
|
1961 |
+
},
|
1962 |
+
{
|
1963 |
+
"instruction": "这个分子的官能团是多少?",
|
1964 |
+
"input": "COc1ccc2c(c1OC)C(CC(C)=O)N(C)c1c-2ccc2cc3c(cc12)OCO3",
|
1965 |
+
"output": "醚-COC,酮-CC(C)=O,胺-N"
|
1966 |
+
},
|
1967 |
+
{
|
1968 |
+
"instruction": "请提供该分子的官能团值。",
|
1969 |
+
"input": "COC(=O)C1(c2cc3ccccc3[nH]2)COCC2OC23CN(C)CCC13",
|
1970 |
+
"output": "胺-N,醚-COC,酯-COC(C)=O,醚-C1CO1"
|
1971 |
+
},
|
1972 |
+
{
|
1973 |
+
"instruction": "请提供该分子的官能团。",
|
1974 |
+
"input": "CC(=O)Oc1cc2oc(=O)ccc2cc1CC(O)C(C)(C)O",
|
1975 |
+
"output": "醚-COC,醇-O,酯-COC(C)=O"
|
1976 |
+
},
|
1977 |
+
{
|
1978 |
+
"instruction": "我对这个分子的官能团很感兴趣,你能告诉我它是多少吗?",
|
1979 |
+
"input": "COc1cc(OCC=C(C)C)c2ccc(=O)oc2c1",
|
1980 |
+
"output": "醚-COC"
|
1981 |
+
},
|
1982 |
+
{
|
1983 |
+
"instruction": "请给我提供这个分子的官能团值。",
|
1984 |
+
"input": "CCCCCCCCCCCCCCCCCc1cc(O)cc(O)c1",
|
1985 |
+
"output": "醇-O"
|
1986 |
+
},
|
1987 |
+
{
|
1988 |
+
"instruction": "你能给我这个分子的官能团吗?",
|
1989 |
+
"input": "O=C1CCCC=CCCCCCCCC1",
|
1990 |
+
"output": "酮-CC(C)=O"
|
1991 |
+
},
|
1992 |
+
{
|
1993 |
+
"instruction": "请提供该分子的官能团。",
|
1994 |
+
"input": "COc1ccc(CCc2cc(=O)c3c(o2)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)cc1",
|
1995 |
+
"output": "醚-COC,醚-COC,酯-COC(C)=O"
|
1996 |
+
},
|
1997 |
+
{
|
1998 |
+
"instruction": "我需要知道这个分子的官能团,你能提供吗?",
|
1999 |
+
"input": "O=c1cc(CCc2ccccc2O)oc2c1C(O)C(O)C(O)C2O",
|
2000 |
+
"output": "醇-O"
|
2001 |
+
},
|
2002 |
+
{
|
2003 |
+
"instruction": "我对这个分子的官能团很感兴趣,你能告诉我它是什么吗?",
|
2004 |
+
"input": "COc1cc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc(O)c1O",
|
2005 |
+
"output": "醚-COC,醇-O"
|
2006 |
+
},
|
2007 |
+
{
|
2008 |
+
"instruction": "请给我提供这个分子的官能团值。",
|
2009 |
+
"input": "COc1c(OC)c(O)c2c(=O)cc(-c3cc(O)ccc3O)oc2c1OC",
|
2010 |
+
"output": "醚-COC,醇-O"
|
2011 |
+
},
|
2012 |
+
{
|
2013 |
+
"instruction": "这个分子的官能团是多少?",
|
2014 |
+
"input": "C=C(C)C(CC)CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C",
|
2015 |
+
"output": "醇-O"
|
2016 |
+
},
|
2017 |
+
{
|
2018 |
+
"instruction": "这个分子的官能团是多少?",
|
2019 |
+
"input": "CC1=CCCC2(C)OC2CC(=C(C)C)C(=O)C1",
|
2020 |
+
"output": "酮-CC(C)=O,醚-C1CO1"
|
2021 |
+
},
|
2022 |
+
{
|
2023 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
2024 |
+
"input": "COc1ccc2c(c1)OC1c3ccc(OC)c(O)c3OCC21",
|
2025 |
+
"output": "醚-COC,醇-O"
|
2026 |
+
},
|
2027 |
+
{
|
2028 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
2029 |
+
"input": "COc1cc(O)ccc1C(=O)C=Cc1ccccc1",
|
2030 |
+
"output": "酮-CC(C)=O,醚-COC,醇-O"
|
2031 |
+
},
|
2032 |
+
{
|
2033 |
+
"instruction": "你能给我这个分子的官能团?",
|
2034 |
+
"input": "COc1ccc(C(=O)CCc2ccc(O)cc2)c(OC)c1",
|
2035 |
+
"output": "酮-CC(C)=O,醚-COC,醇-O"
|
2036 |
+
},
|
2037 |
+
{
|
2038 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
2039 |
+
"input": "O=C(O)CCCCl",
|
2040 |
+
"output": "羧酸-O=CO,醇-O"
|
2041 |
+
},
|
2042 |
+
{
|
2043 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
2044 |
+
"input": "CC(C)(O)C(O)COc1c2ccoc2cc2oc(=O)ccc12",
|
2045 |
+
"output": "醚-COC,醇-O"
|
2046 |
+
},
|
2047 |
+
{
|
2048 |
+
"instruction": "这个分子的官能团是多少?",
|
2049 |
+
"input": "Oc1cc(O)c2c(c1)OC1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3C2C1OC1OCC(O)C(O)C1O)OC(c1ccc(O)c(O)c1)C(O)C4c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2",
|
2050 |
+
"output": "醚-COC,醚-COC,醇-O"
|
2051 |
+
},
|
2052 |
+
{
|
2053 |
+
"instruction": "这个分子的官能团是多少?",
|
2054 |
+
"input": "COc1cc(CCC(CC(CCc2ccc(O)c(OC)c2)OC(C)=O)OC(C)=O)ccc1O",
|
2055 |
+
"output": "醚-COC,醚-COC,酯-COC(C)=O,醇-O"
|
2056 |
+
},
|
2057 |
+
{
|
2058 |
+
"instruction": "请给我这个分子的官能团。",
|
2059 |
+
"input": "C=CCCCCCC=CC(O)C#CC#CC(O)C=C",
|
2060 |
+
"output": "醇-O"
|
2061 |
+
},
|
2062 |
+
{
|
2063 |
+
"instruction": "这个分子的官能团是多少?",
|
2064 |
+
"input": "COc1cc(CCC(CC(O)CCc2ccc(O)c(O)c2)OC2OC(CO)C(O)C(O)C2O)ccc1O",
|
2065 |
+
"output": "醚-COC,醚-COC,醇-O"
|
2066 |
+
},
|
2067 |
+
{
|
2068 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
2069 |
+
"input": "C=CC(=O)OC(CC)CCCCCCCCC",
|
2070 |
+
"output": "醚-COC,酯-CC(=O)OC"
|
2071 |
+
},
|
2072 |
+
{
|
2073 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
2074 |
+
"input": "CCC1CN(CCC2(O)C(=O)Nc3ccccc32)C(=O)CC1C(=COC)C(=O)OC",
|
2075 |
+
"output": "酯-CC(=O)OC,胺-N,醚-COC,酰胺-CC(N)=O,醇-O"
|
2076 |
+
},
|
2077 |
+
{
|
2078 |
+
"instruction": "请提供该分子的官能团。",
|
2079 |
+
"input": "Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OC3OC(C)C(=O)C(O)C3O)O2)c(=O)[nH]c1=O",
|
2080 |
+
"output": "酮-CC(C)=O,醚-COC,醇-O"
|
2081 |
+
},
|
2082 |
+
{
|
2083 |
+
"instruction": "请提供该分子的官能团值。",
|
2084 |
+
"input": "O=c1c2cc(O)c(O)cc2oc2c(-c3cc(O)c4oc5cc(O)cc(O)c5c(=O)c4c3O)c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12",
|
2085 |
+
"output": "醚-COC,醇-O"
|
2086 |
+
},
|
2087 |
+
{
|
2088 |
+
"instruction": "这个分子的官能团是多少?",
|
2089 |
+
"input": "CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC(=O)C=Cc6ccc(O)cc6)C(C)(C)C5CCC43C)C2C1(C)O",
|
2090 |
+
"output": "羧酸-O=CO,醚-COC,醇-O,酯-CC(=O)OC"
|
2091 |
+
},
|
2092 |
+
{
|
2093 |
+
"instruction": "请提供该分子的官能团。",
|
2094 |
+
"input": "CC1CCCCCCCCCCC(=O)C1",
|
2095 |
+
"output": "酮-CC(C)=O"
|
2096 |
+
},
|
2097 |
+
{
|
2098 |
+
"instruction": "我需要知道这个分子的官能团,你能提供吗?",
|
2099 |
+
"input": "COCCCOC(C)=O",
|
2100 |
+
"output": "醚-COC,酯-COC(C)=O"
|
2101 |
+
},
|
2102 |
+
{
|
2103 |
+
"instruction": "这个分子的官能团是多少?",
|
2104 |
+
"input": "CC(=O)OC1CC(=O)C=C(C(C)C)C1",
|
2105 |
+
"output": "酮-CC(C)=O,醚-COC,酯-COC(C)=O"
|
2106 |
+
},
|
2107 |
+
{
|
2108 |
+
"instruction": "你能告诉我这个分子官能团吗?",
|
2109 |
+
"input": "C=CCSCCC(C)C",
|
2110 |
+
"output": ""
|
2111 |
+
},
|
2112 |
+
{
|
2113 |
+
"instruction": "这个分子的官能团是多少?",
|
2114 |
+
"input": "CCCC(O)CC",
|
2115 |
+
"output": "醇-O"
|
2116 |
+
},
|
2117 |
+
{
|
2118 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
2119 |
+
"input": "CC(=O)OC1CC2C(OC(C)=O)C=C(CO)C(O)CC=C(C)C(=O)C(OC(C)=O)C(=C1C)C2(C)C",
|
2120 |
+
"output": "酮-CC(C)=O,醚-COC,酯-COC(C)=O,醇-O"
|
2121 |
+
},
|
2122 |
+
{
|
2123 |
+
"instruction": "请提供该分子的官能团。",
|
2124 |
+
"input": "C=C1C(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC43C)C12",
|
2125 |
+
"output": "醚-COC,酯-COC(C)=O,醇-O"
|
2126 |
+
},
|
2127 |
+
{
|
2128 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
2129 |
+
"input": "CC(=O)OC1CCC2(C)C(CCC3(C)C2CCC2C4C(C)C5(C)OC5C(O)C4(C)CCC23C)C1(C)C",
|
2130 |
+
"output": "醚-COC,醚-C1CO1,酯-COC(C)=O,醇-O"
|
2131 |
+
},
|
2132 |
+
{
|
2133 |
+
"instruction": "请提供该分子的官能团。",
|
2134 |
+
"input": "CCCC(C)C(=O)OC1C(=O)OC2CC3C(C)CC(O)C(O)C3(C)C3C4(O)OCC23C1C(C)C4O",
|
2135 |
+
"output": "醚-COC,酯-COC(C)=O,醇-O"
|
2136 |
+
},
|
2137 |
+
{
|
2138 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
2139 |
+
"input": "OCC(O)CCCCC(O)CO",
|
2140 |
+
"output": "醇-O"
|
2141 |
+
},
|
2142 |
+
{
|
2143 |
+
"instruction": "这个分子的官能团是多少?",
|
2144 |
+
"input": "COc1cc(OC2OC(C(=O)O)C(O)C(O)C2O)cc2c1C(=O)CC(c1ccccc1O)O2",
|
2145 |
+
"output": "酮-CC(C)=O,醚-COC,醚-COC,醇-O,羧酸-O=CO"
|
2146 |
+
},
|
2147 |
+
{
|
2148 |
+
"instruction": "请提供该分子的官能团。",
|
2149 |
+
"input": "CC(=O)OCC1=CC(OC(C)=O)C2CC(OC(C)=O)C(C)=C(C(OC(C)=O)C(OC(C)=O)=C(C)C(OC(C)=O)CC1OC(=O)C(O)C(c1ccccc1)N(C)C)C2(C)C",
|
2150 |
+
"output": "胺-N,醚-COC,酯-COC(C)=O,醇-O"
|
2151 |
+
},
|
2152 |
+
{
|
2153 |
+
"instruction": "这个分子的官能团是多少?",
|
2154 |
+
"input": "C=C(C)C1CCC(=C)C(OO)C1",
|
2155 |
+
"output": "醇-O"
|
2156 |
+
},
|
2157 |
+
{
|
2158 |
+
"instruction": "你能给我这个分子的官能团?",
|
2159 |
+
"input": "Cc1cc2c(c(C)c1CCO)C(=O)C(C)C2O",
|
2160 |
+
"output": "酮-CC(C)=O,醇-O"
|
2161 |
+
},
|
2162 |
+
{
|
2163 |
+
"instruction": "这个分子的官能团是多少?",
|
2164 |
+
"input": "CC1=CC(O)CC2(C)OC2CC(C)(C)C=CC1=O",
|
2165 |
+
"output": "酮-CC(C)=O,醚-C1CO1,醇-O"
|
2166 |
+
},
|
2167 |
+
{
|
2168 |
+
"instruction": "请提供该分子的官能团。",
|
2169 |
+
"input": "CC(C)=CCCC1(C)C(CC=C(C)C)CC(CC=C(C)C)C(=O)C1C(=O)C(C)C",
|
2170 |
+
"output": "酮-CC(C)=O"
|
2171 |
+
},
|
2172 |
+
{
|
2173 |
+
"instruction": "这个分子的官能团是多少?",
|
2174 |
+
"input": "CC=C(C=O)c1ccccc1",
|
2175 |
+
"output": "醛-CC=O"
|
2176 |
+
},
|
2177 |
+
{
|
2178 |
+
"instruction": "请提供该分子的官能团。",
|
2179 |
+
"input": "CC1NCCS1",
|
2180 |
+
"output": "胺-N"
|
2181 |
+
},
|
2182 |
+
{
|
2183 |
+
"instruction": "请提供该分子的官能团值。",
|
2184 |
+
"input": "CC1=CC(=O)c2c(O)ccc(O)c2C1=O",
|
2185 |
+
"output": "酮-CC(C)=O,醇-O"
|
2186 |
+
},
|
2187 |
+
{
|
2188 |
+
"instruction": "请提供该分子的官能团。",
|
2189 |
+
"input": "CCC(=O)c1ccc(O)c(OC)c1",
|
2190 |
+
"output": "酮-CC(C)=O,醚-COC,醇-O"
|
2191 |
+
},
|
2192 |
+
{
|
2193 |
+
"instruction": "这个分子的官能团是多少?",
|
2194 |
+
"input": "COC1OCCO1",
|
2195 |
+
"output": "醚-COC"
|
2196 |
+
},
|
2197 |
+
{
|
2198 |
+
"instruction": "请提供该分子的官能团值。",
|
2199 |
+
"input": "O=C(C=Cc1ccccc1O)c1ccccc1",
|
2200 |
+
"output": "酮-CC(C)=O,醇-O"
|
2201 |
+
},
|
2202 |
+
{
|
2203 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
2204 |
+
"input": "COc1ccc(O)c(C(C)=O)c1",
|
2205 |
+
"output": "酮-CC(C)=O,醚-COC,醇-O"
|
2206 |
+
},
|
2207 |
+
{
|
2208 |
+
"instruction": "请给我这个分子的官能团。",
|
2209 |
+
"input": "CC(C)=CCC=C(C)C(=O)OC1OC(CO)C(O)C(O)C1O",
|
2210 |
+
"output": "醚-COC,醇-O,酯-CC(=O)OC"
|
2211 |
+
},
|
2212 |
+
{
|
2213 |
+
"instruction": "请提供该分子的官能团。",
|
2214 |
+
"input": "Cc1ccc([N+](=O)[O-])c(Cl)c1C",
|
2215 |
+
"output": "胺-[N+]"
|
2216 |
+
},
|
2217 |
+
{
|
2218 |
+
"instruction": "这个分子的官能团是多少?",
|
2219 |
+
"input": "Cc1ccc2c(c1C)C1=CCC3C4(C)CC(O)C(O)C(C)(C(=O)O)C4CCC3(C)C1(C)CC2",
|
2220 |
+
"output": "羧酸-O=CO,醇-O"
|
2221 |
+
},
|
2222 |
+
{
|
2223 |
+
"instruction": "你能告诉我这个分子官能团吗?",
|
2224 |
+
"input": "C=C(CCC(C(=O)O)C1C(O)CC2(C)C3=CCC4C(C)(CCC(O)C4(C)CO)C3=CCC12C)C(C)C",
|
2225 |
+
"output": "羧酸-O=CO,醇-O"
|
2226 |
+
},
|
2227 |
+
{
|
2228 |
+
"instruction": "请给我提供这个分子的官能团。",
|
2229 |
+
"input": "CC(C)CCCCCCC(C)C",
|
2230 |
+
"output": ""
|
2231 |
+
},
|
2232 |
+
{
|
2233 |
+
"instruction": "这个分子的官能团是多少?",
|
2234 |
+
"input": "C=C(C)C1CCC2(CO)CCC3(C)C(CCC4C5(C)CCC(=O)C(C)(C)C5CCC43C)C12",
|
2235 |
+
"output": "酮-CC(C)=O,醇-O"
|
2236 |
+
},
|
2237 |
+
{
|
2238 |
+
"instruction": "你能给我这个分子的官能团吗?",
|
2239 |
+
"input": "CC1=CCc2c(OC3OC(COC4OCC(O)C(O)C4O)C(O)C(O)C3O)cc(C)c(O)c2C1",
|
2240 |
+
"output": "醚-COC,醚-COC,醇-O"
|
2241 |
+
},
|
2242 |
+
{
|
2243 |
+
"instruction": "这个分子的官能团是多少?",
|
2244 |
+
"input": "CC1=C(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CC(=O)C3(C)C12",
|
2245 |
+
"output": "酮-CC(C)=O,醚-COC,醇-O"
|
2246 |
+
},
|
2247 |
+
{
|
2248 |
+
"instruction": "这个分子的官能团是多少?",
|
2249 |
+
"input": "CC(CCC1(O)OC2CC3C4CCC5CC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CC(=O)C3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O",
|
2250 |
+
"output": "酮-CC(C)=O,醚-COC,醇-O"
|
2251 |
+
},
|
2252 |
+
{
|
2253 |
+
"instruction": "请提供该分子的官能团值。",
|
2254 |
+
"input": "CC(O)CC(=O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O",
|
2255 |
+
"output": "酮-CC(C)=O,醇-O"
|
2256 |
+
},
|
2257 |
+
{
|
2258 |
+
"instruction": "这个分子的官能团是多少?",
|
2259 |
+
"input": "c1cc2nc(c1)CCCCCCCCC2",
|
2260 |
+
"output": ""
|
2261 |
+
},
|
2262 |
+
{
|
2263 |
+
"instruction": "我需要知道这个分子的官能团,你能提供吗?",
|
2264 |
+
"input": "CCC(C)CCCCC(C)CCCC(C)CCCC(C)C",
|
2265 |
+
"output": ""
|
2266 |
+
},
|
2267 |
+
{
|
2268 |
+
"instruction": "请提供该分子的官能团。",
|
2269 |
+
"input": "CC(=O)OCC1OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C4CC4OC(CCC(C)COC5OC(CO)C(O)C(O)C5O)=C(C)C43)C2)C(OC2OC(C)C(O)C(O)C2O)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C1O",
|
2270 |
+
"output": "醚-COC,酯-COC(C)=O,醇-O"
|
2271 |
+
},
|
2272 |
+
{
|
2273 |
+
"instruction": "请给我提供这个分子的官能团值。",
|
2274 |
+
"input": "COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC(O)C56CC5CC(OC5OC(CO)C(O)C(O)C5O)C6(C)C4CCC3(C)C2C1C",
|
2275 |
+
"output": "醚-COC,醇-O"
|
2276 |
+
},
|
2277 |
+
{
|
2278 |
+
"instruction": "你能告诉我这个分子的官能团值吗?",
|
2279 |
+
"input": "CCCCCCCCCC(=O)CCCCCCCCCCCCCCC(C)CCCCC",
|
2280 |
+
"output": "酮-CC(C)=O"
|
2281 |
+
},
|
2282 |
+
{
|
2283 |
+
"instruction": "请提供该分子的官能团。",
|
2284 |
+
"input": "CC(C)c1cc2c(c(O)c1O)C1(C(=O)O)CCCC(C)(C)C1CC2",
|
2285 |
+
"output": "羧酸-O=CO,醇-O"
|
2286 |
+
},
|
2287 |
+
{
|
2288 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
2289 |
+
"input": "Cc1ccc(C(C)(C)O)cc1",
|
2290 |
+
"output": "醇-O"
|
2291 |
+
},
|
2292 |
+
{
|
2293 |
+
"instruction": "这个分子的官能团是多少?",
|
2294 |
+
"input": "Cc1c[nH]c(C)c1",
|
2295 |
+
"output": ""
|
2296 |
+
},
|
2297 |
+
{
|
2298 |
+
"instruction": "请给我这个分子的官能团。",
|
2299 |
+
"input": "C=C(C)C(O)Cc1cc(C(=O)COC)ccc1OC",
|
2300 |
+
"output": "酮-CC(C)=O,醚-COC,醚-COC,醇-O"
|
2301 |
+
},
|
2302 |
+
{
|
2303 |
+
"instruction": "请提供该分子的官能团。",
|
2304 |
+
"input": "CC(C)CC(C)(C)CC(C)(C)c1ccccc1",
|
2305 |
+
"output": ""
|
2306 |
+
},
|
2307 |
+
{
|
2308 |
+
"instruction": "请提供该分子的官能团。",
|
2309 |
+
"input": "CC1CCC2(C)CCC3(C)C(=CCC4C(C)(CC(=O)O)C(C(C)(C)C=O)CCC43C)C2C1C",
|
2310 |
+
"output": "羧酸-O=CO,醛-CC=O,醇-O"
|
2311 |
+
},
|
2312 |
+
{
|
2313 |
+
"instruction": "请给我这个分子的官能团。",
|
2314 |
+
"input": "COc1ccc(-c2cc(=O)c3c(O)cc(O)c(-c4cc(C5CC(=O)c6c(O)cc(O)cc6O5)ccc4O)c3o2)cc1",
|
2315 |
+
"output": "酮-CC(C)=O,醚-COC,醇-O"
|
2316 |
+
},
|
2317 |
+
{
|
2318 |
+
"instruction": "这个分子的官能团是多少?",
|
2319 |
+
"input": "N#CCC1C(=O)Nc2cccc(O)c21",
|
2320 |
+
"output": "胺-N,酰胺-CC(N)=O,醇-O,氰基-C#N"
|
2321 |
+
},
|
2322 |
+
{
|
2323 |
+
"instruction": "请提供该分子的官能团。",
|
2324 |
+
"input": "CCC(C)CCC(C)CC(C)C(C)C",
|
2325 |
+
"output": ""
|
2326 |
+
},
|
2327 |
+
{
|
2328 |
+
"instruction": "我对这个分子的官能团很感兴趣,你能告诉我它是什么吗?",
|
2329 |
+
"input": "CC(C)C(C)C(C)C",
|
2330 |
+
"output": ""
|
2331 |
+
},
|
2332 |
+
{
|
2333 |
+
"instruction": "请提供该分子的官能团。",
|
2334 |
+
"input": "CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC1OC1(C)C",
|
2335 |
+
"output": "醚-C1CO1"
|
2336 |
+
},
|
2337 |
+
{
|
2338 |
+
"instruction": "你能告诉我这个分子的官能团吗?",
|
2339 |
+
"input": "O=c1cc(CCc2ccccc2)oc2ccc(O)c(-c3ccc(O)c4oc(CCc5ccccc5)cc(=O)c34)c12",
|
2340 |
+
"output": "醇-O"
|
2341 |
+
},
|
2342 |
+
{
|
2343 |
+
"instruction": "请提供该分子的官能团。",
|
2344 |
+
"input": "C=CCCCCCCCCCCCC",
|
2345 |
+
"output": ""
|
2346 |
+
},
|
2347 |
+
{
|
2348 |
+
"instruction": "这个分子的官能团是多少?",
|
2349 |
+
"input": "C=C1CCC(C(C)C)=CC2C1CCC2(C)O",
|
2350 |
+
"output": "醇-O"
|
2351 |
+
},
|
2352 |
+
{
|
2353 |
+
"instruction": "我需要知道这个分子的官能团,你能提供吗?",
|
2354 |
+
"input": "CCCC(C)CO",
|
2355 |
+
"output": "醇-O"
|
2356 |
+
},
|
2357 |
+
{
|
2358 |
+
"instruction": "你能告诉我这个分子的官能团值吗?",
|
2359 |
+
"input": "C=CC(O)CCCCCC",
|
2360 |
+
"output": "醇-O"
|
2361 |
+
},
|
2362 |
+
{
|
2363 |
+
"instruction": "你能给我这个分子的官能团吗?",
|
2364 |
+
"input": "Cn1c(=O)[nH]c2c(ncn2C2OC(CO)C(O)C2O)c1=O",
|
2365 |
+
"output": "醚-COC,醇-O"
|
2366 |
+
},
|
2367 |
+
{
|
2368 |
+
"instruction": "这个分子的官能团是多少?",
|
2369 |
+
"input": "CC(=O)OC1CC2(O)C(OC(C)=O)C3C4(CO4)C(OC(C)=O)CC(OC(C)=O)C3(C)C(OC(C)=O)C(OC(C)=O)C(=C1C)C2(C)C",
|
2370 |
+
"output": "醚-COC,醚-C1CO1,酯-COC(C)=O,醇-O"
|
2371 |
+
},
|
2372 |
+
{
|
2373 |
+
"instruction": "你能给我这个分子的官能团?",
|
2374 |
+
"input": "C=C1CCC(O)C2(C)CCC(C(C)C)C=C12",
|
2375 |
+
"output": "醇-O"
|
2376 |
+
},
|
2377 |
+
{
|
2378 |
+
"instruction": "这个分子的官能团是多少?",
|
2379 |
+
"input": "CC1C(=O)CC23CC(=O)OCC1(C)C2(O)C(O)CC3(C)O",
|
2380 |
+
"output": "酮-CC(C)=O,醚-COC,酯-COC(C)=O,醇-O"
|
2381 |
+
},
|
2382 |
+
{
|
2383 |
+
"instruction": "请给我这个分子的官能团。",
|
2384 |
+
"input": "CCCCCCCCCCCCCCCCCCCC(O)CCCCCCCCO",
|
2385 |
+
"output": "醇-O"
|
2386 |
+
},
|
2387 |
+
{
|
2388 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
2389 |
+
"input": "CCC(C)(O)C(=O)NC1CCCN1C(=O)C1C(c2ccccc2)C2(c3ccc(OC)c(OC)c3)Oc3cc(OC)cc(OC)c3C1(O)C2O",
|
2390 |
+
"output": "醚-COC,胺-N,酰胺-CC(N)=O,醇-O"
|
2391 |
+
},
|
2392 |
+
{
|
2393 |
+
"instruction": "你能给我这个分子的官能团吗?",
|
2394 |
+
"input": "COc1cc(O)c(Cc2ccc(O)cc2)c2ccc3c(Cc4ccc(O)cc4)c(O)ccc3c12",
|
2395 |
+
"output": "醚-COC,醇-O"
|
2396 |
+
},
|
2397 |
+
{
|
2398 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
2399 |
+
"input": "O=C(C=C(O)C=Cc1ccccc1)CCc1ccccc1",
|
2400 |
+
"output": "酮-CC(C)=O,醇-O"
|
2401 |
+
},
|
2402 |
+
{
|
2403 |
+
"instruction": "这个分子的官能团是多少?",
|
2404 |
+
"input": "COc1cc(C=CC(=O)OCC2OC(OC(=O)C=Cc3cc(OC)c(O)c(OC)c3)C(O)C(O)C2O)cc(OC)c1O",
|
2405 |
+
"output": "醚-COC,醚-COC,醇-O,酯-CC(=O)OC"
|
2406 |
+
},
|
2407 |
+
{
|
2408 |
+
"instruction": "请提供该分子的官能团值。",
|
2409 |
+
"input": "COC1CC(OC2C(O)CC(OC3C(O)CC(OC4C(C)OC(OC5CCC6(C)C(=CCC7(O)C6CC(O)C6(C)C(C(C)=O)CC(O)C76O)C5)CC4OC)OC3C)OC2C)OC(C)C1O",
|
2410 |
+
"output": "酮-CC(C)=O,醚-COC,醇-O"
|
2411 |
+
},
|
2412 |
+
{
|
2413 |
+
"instruction": "请给我提供这个分子的官能团。",
|
2414 |
+
"input": "CCN1CC2(COC)CCC(O)C34C5CC6C(OC)CC(O)(C5C6OC(=O)c5ccc(OC)c(OC)c5)C(C(OC)C23)C14",
|
2415 |
+
"output": "醚-COC,胺-N,醚-COC,酯-CC(=O)OC,醇-O"
|
2416 |
+
},
|
2417 |
+
{
|
2418 |
+
"instruction": "这个分子的官能团是多少?",
|
2419 |
+
"input": "CCC1NC2CC3(C(=O)N(OC)c4ccccc43)C3OCC2C1C3O",
|
2420 |
+
"output": "醚-COC,胺-N,酰胺-CC(N)=O,醇-O"
|
2421 |
+
},
|
2422 |
+
{
|
2423 |
+
"instruction": "我对这个分子的官能团很感兴趣,你能告诉我它是什么吗?",
|
2424 |
+
"input": "C=CCC=CCCCCCCCCCCCCC(=O)OC",
|
2425 |
+
"output": "醚-COC,酯-COC(C)=O"
|
2426 |
+
},
|
2427 |
+
{
|
2428 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
2429 |
+
"input": "CN1CCCC1CC(=O)CC1CCCN1C",
|
2430 |
+
"output": "酮-CC(C)=O,胺-N"
|
2431 |
+
},
|
2432 |
+
{
|
2433 |
+
"instruction": "请给我这个分子的官能团。",
|
2434 |
+
"input": "CC(C)C1(O)C=C2C(=O)CC3C(C)(C)CCCC3(C)C2CC1",
|
2435 |
+
"output": "酮-CC(C)=O,醇-O"
|
2436 |
+
},
|
2437 |
+
{
|
2438 |
+
"instruction": "请提供该分子的官能团。",
|
2439 |
+
"input": "COC(=O)C(C)(O)C1CCC(C)(CCC2(O)C(C)CCC3C(C)(C)CCCC32C)O1",
|
2440 |
+
"output": "醚-COC,酯-COC(C)=O,醇-O"
|
2441 |
+
},
|
2442 |
+
{
|
2443 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
2444 |
+
"input": "CC(=O)OC1C(OC(C)=O)C2(C)C(OC(=O)C(C)C)OCC3(C1O)C2CC(O)C1(C)C3C(=O)C(O)C2(C)C(c3ccoc3)CC3OC321",
|
2445 |
+
"output": "酮-CC(C)=O,酯-COC(C)=O,醚-C1CO1,醚-COC,醇-O"
|
2446 |
+
},
|
2447 |
+
{
|
2448 |
+
"instruction": "请提供该分子的官能团值。",
|
2449 |
+
"input": "CC(=O)OC1CC(O)C23COC(OC(=O)C(C)C)C1(C)C2CC(O)C1(C)C3C(=O)C(OC(C)=O)C2(C)C(c3ccoc3)CC3OC321",
|
2450 |
+
"output": "酮-CC(C)=O,酯-COC(C)=O,醚-C1CO1,醚-COC,醇-O"
|
2451 |
+
},
|
2452 |
+
{
|
2453 |
+
"instruction": "请提供该分子的官能团。",
|
2454 |
+
"input": "CC(=O)OC1CC(O)C23COC(O)C1(C)C2CC(O)C1(C)C2C(=O)CC(c4ccoc4)C2(C)C(O)C(=O)C13",
|
2455 |
+
"output": "酮-CC(C)=O,醚-COC,酯-COC(C)=O,醇-O"
|
2456 |
+
},
|
2457 |
+
{
|
2458 |
+
"instruction": "你能告诉我这个分子的官能团值吗?",
|
2459 |
+
"input": "CC1CC=CC2=CCC3C(C3(C)C)C21C",
|
2460 |
+
"output": ""
|
2461 |
+
},
|
2462 |
+
{
|
2463 |
+
"instruction": "你能告诉我这个分子的官能团值吗?",
|
2464 |
+
"input": "CCc1ccc(CC)c(CC)c1",
|
2465 |
+
"output": ""
|
2466 |
+
},
|
2467 |
+
{
|
2468 |
+
"instruction": "请给我提供这个分子的官能团值。",
|
2469 |
+
"input": "CC1C2CCC3(C)CC(=O)C=C(CC1(C)O)C23",
|
2470 |
+
"output": "酮-CC(C)=O,醇-O"
|
2471 |
+
},
|
2472 |
+
{
|
2473 |
+
"instruction": "这个分子的官能团是多少?",
|
2474 |
+
"input": "COC1=CC23CCCN2CC(O)c2cc4c(cc2C3C1O)OCO4",
|
2475 |
+
"output": "醚-COC,醚-COC,胺-N,醇-O"
|
2476 |
+
},
|
2477 |
+
{
|
2478 |
+
"instruction": "你能给我这个分子的官能团?",
|
2479 |
+
"input": "C1=CC2C=CC1C13CCC21CC3",
|
2480 |
+
"output": ""
|
2481 |
+
},
|
2482 |
+
{
|
2483 |
+
"instruction": "你能告诉我这个分子的官能团吗?",
|
2484 |
+
"input": "CC1=CC2OC(=O)C(C)C2CCC(C(=O)OC2OC(CO)C(O)C(O)C2O)=CCC1",
|
2485 |
+
"output": "醚-COC,酯-COC(C)=O,醇-O,酯-CC(=O)OC"
|
2486 |
+
},
|
2487 |
+
{
|
2488 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
2489 |
+
"input": "C=C1CCC2C(C3C1CCC3(C)O)C2(C)C",
|
2490 |
+
"output": "醇-O"
|
2491 |
+
},
|
2492 |
+
{
|
2493 |
+
"instruction": "请提供该分子的官能团。",
|
2494 |
+
"input": "COc1cc(OC)c2c3c(cc4ccccc42)NC(=O)c13",
|
2495 |
+
"output": "醚-COC,酰胺-CC(N)=O,胺-N"
|
2496 |
+
},
|
2497 |
+
{
|
2498 |
+
"instruction": "我想知道这个分子的官能团,你能提供吗?",
|
2499 |
+
"input": "CC(C)C1CCC(C)(O)C2CCC(C=O)=CC12",
|
2500 |
+
"output": "醛-CC=O,醇-O"
|
2501 |
+
}
|
2502 |
+
]
|
sft/test/admet_reg.csv
ADDED
@@ -0,0 +1,501 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
1 |
+
smiles,y
|
2 |
+
Cc1nc2c(N[C@H]3c4ccccc4C[C@@H]3O)cc(-n3cncn3)cn2c1C,5.3
|
3 |
+
CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2,8.8
|
4 |
+
Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc([S+](C)[O-])cc2)cc1,26.0
|
5 |
+
COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1,3.0
|
6 |
+
CC(C)Cn1c(=O)n(C)c(=O)c2c(SCCCO)c(Cc3cccc4ccccc34)sc21,0.5
|
7 |
+
COc1cccc(-c2nc(CCOc3cccc(C[C@@H]4C(=O)N(c5ccc(C(C)(C)C)cc5)[C@@H]4C(=O)O)c3)c(C)o2)c1,0.65
|
8 |
+
Cc1cc2cc(N/C(=N\C(=O)c3ccc[n+]([O-])c3)N[C@H]3CCCCN(CC(=O)N4CCCC4)C3=O)ccc2o1,100.0
|
9 |
+
O=C(Nc1nc(C(F)(F)F)co1)C1c2ccccc2Oc2ccccc21,0.6
|
10 |
+
COc1nc(-c2csc(Nc3c4c(nn3CC(F)(F)F)CCC4)n2)ccc1-n1cnc(C)c1,11.0
|
11 |
+
CC(C)(c1cc(-c2cccc(-c3cccnc3)c2)c2ncccc2c1)S(C)(=O)=O,0.63
|
12 |
+
CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N3C[C@H](O)CO3)c(Cc3c[nH]c4ncccc34)sc21,17.0
|
13 |
+
CCn1c(C)c(C)c2cc(-n3ccccc3=O)nc(NCc3c(C)cccc3C)c21,0.7
|
14 |
+
CCCCCCSc1nc2cc(OC)ccc2[nH]1,2.92
|
15 |
+
CCN1C(=O)COc2ccc(CN3CCN(CCOc4cccc5nc(C)ccc45)CC3)cc21,14.0
|
16 |
+
CS(=O)(=O)N1CC[C@H](N(Cc2ccccc2F)c2ccc(C#N)c(Cl)c2)C1,1.7
|
17 |
+
CC(C)c1nc2cccnc2n1-c1ccc(C[C@H](NC2=C(Br)C(=O)C23CCCCC3)C(=O)O)cc1,18.0
|
18 |
+
CCc1c(CCCC(=O)O)cccc1-c1nnc(-c2ccc(OC(C)C)c(C#N)c2)o1,7.94
|
19 |
+
Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O,2.0
|
20 |
+
CCCS(=O)(=O)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3)nc2c1,9.5
|
21 |
+
O=C(NCc1ccc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)c1cnc2[nH]ncc2c1,0.07
|
22 |
+
NC(=O)[C@]12CC3CC(C1)[C@@H](OC(=O)N1CC[C@@H](Nc4ncccc4C(F)(F)F)C1)C(C3)C2,9.4
|
23 |
+
Nc1n[nH]cc1-c1cc(C(F)(F)F)ccc1Oc1cc(F)c(S(=O)(=O)Nc2nncs2)cc1Cl,0.66
|
24 |
+
CN1C[C@@H]2CCC[C@]2(c2ccc(Cl)c(Cl)c2)C1,9.83
|
25 |
+
CC(C)c1cc(Nc2ccc(Cl)cc2Cl)ncc1C(=O)NCC1CCOCC1,40.0
|
26 |
+
N#Cc1ccc(Cl)cc1S[C@H](CCN)c1ccccc1,4.1
|
27 |
+
CNC(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1,1.2
|
28 |
+
CNCC1(O)Cc2ccccc2C1Sc1ccccc1C,0.4
|
29 |
+
CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1,2.0
|
30 |
+
CCc1cc(NC(=O)NCCCN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(-c2nnnn2C)c1,1.3
|
31 |
+
Fc1ccc(O[C@@H](c2ccccc2)[C@H]2CCNC2)c(Cl)c1,0.5
|
32 |
+
COc1nccnc1CC1=C(CCN(C)C)Cc2cc(Cl)ccc21,0.69
|
33 |
+
CN(C)CCCn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)CO)c3n2)c2cc(OC(F)F)ccc21,48.0
|
34 |
+
O=C(NCC1CCOCC1)c1cnc(Nc2ccc(Cl)cc2Cl)cc1C1CC1,55.0
|
35 |
+
Cc1cc(/C=C/C(=O)/C=C/c2cc(C)c(O)c(C)c2)cc(C)c1O,13.2
|
36 |
+
CSc1ccccc1CNc1ncc([N+](=O)[O-])c(NCC2CCC(CN)CC2)n1,4.7
|
37 |
+
CCc1ncnc2cc(OC)c(OCC(O)CNC(C)(C)Cc3cc4ccccc4[nH]3)cc12,0.07
|
38 |
+
CC(=O)N(CC(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1)c1ccccc1,0.3
|
39 |
+
CC(C)N1CCC[C@H](Cn2cnc3ccc(-c4ccc(Cl)cc4)cc3c2=O)C1,0.2
|
40 |
+
CC(c1ccccn1)c1c(CCN(C)C)sc2ccccc12,6.9
|
41 |
+
Clc1cccc(OC(c2cccnc2)[C@@H]2CCCNC2)c1Cl,2.4
|
42 |
+
CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N(CCCCN(Cc2ccccc2)C(=O)OCc2cncs2)Cc2ccccc2)C(C)C)cs1,1.1
|
43 |
+
COC(=O)N1CC[C@H](N(Cc2ccccc2C(F)(F)F)c2ccc(C#N)c(Cl)c2)C1,8.0
|
44 |
+
CN1CC(C)(NC(=O)Nc2nc(C(C)(C)C)cs2)C(CN2CCC[C@@H](Cc3ccc(F)cc3)C2)OC1=O,40.0
|
45 |
+
COc1ccc2[nH]c(SCC(C)C)nc2c1,11.6
|
46 |
+
CN[C@H]1Cc2ccccc2N(c2ccc(Cl)c(Cl)c2)C1,0.1
|
47 |
+
CC(C)c1nc(C(=O)NC2CCN(CCF)CC2)c2ccccn12,93.5
|
48 |
+
CN(C)Cc1cc2c([nH]c(=O)c3cccc(O)c32)s1,100.0
|
49 |
+
CC(C)(Cc1c[nH]c2ccccc12)NCC(O)COc1ccccc1C#N,0.05
|
50 |
+
Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-n3cnnc3)cc2)cc1,5.0
|
51 |
+
O=C(CNCC1(O)CCCCC1)N1CCc2ccccc2[C@@H]1C1CCCCC1,0.6
|
52 |
+
CC(C)C[C@H](C[C@@H](O)N1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cccc(-c2nnnn2C)c1,0.6
|
53 |
+
COc1ncc(F)c(N2Cc3cn(-c4cccc(S(C)(=O)=O)c4)nc3[C@H]2C(C)C)n1,12.71
|
54 |
+
CC[C@H](N)C(=O)N[C@H](C#N)Cc1ccc(-c2ccccc2)cc1,12.61
|
55 |
+
Oc1cccc(-c2ccc3c(-c4cccc(O)c4)c(O)ccc3c2)c1,24.8
|
56 |
+
COc1cnc2ccc(=O)n(CCN3CCC(c4nc5cc(C#N)c(C)cc5[nH]4)CC3)c2c1,28.0
|
57 |
+
O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCCC2CNC2)cc1F,20.0
|
58 |
+
NC(=O)[C@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](Nc4ncccc4C(F)(F)F)C1)C(C3)C2,8.5
|
59 |
+
Cc1cccc(C)c1CNc1nc(N2CCNC2=O)cc2c(C)c(C)[nH]c12,1.6
|
60 |
+
O=C(NCC1CCOCC1)c1cnc(Nc2cc(Cl)ccc2F)nc1C(F)(F)F,68.0
|
61 |
+
O=C(O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3cc(F)c(F)cc32)cc1,37.0
|
62 |
+
CNc1nc2ccccc2n1Cc1sc2c(c1C(=O)N1CCC1)c(=O)n(C)c(=O)n2CC(C)C,1.0
|
63 |
+
O=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1,10.0
|
64 |
+
Cn1c(-c2ccc(Cl)cn2)c(C2CCCC2)c2ccc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)O)cc4)CCCC3)cc21,10.7
|
65 |
+
COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(Br)c(-c2ccc(N=[N+]=[N-])cc2)[nH]1)C(C)C,1.5
|
66 |
+
COc1ccccc1-c1ccc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nn12,9.4
|
67 |
+
COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@]23OC(=O)c2ccccc23)C2CC2)cc(OCCOC)c1,7.2
|
68 |
+
Clc1ccc([C@@]23CCCC[C@@H]2CNC3)cc1Cl,12.8
|
69 |
+
Cc1n[nH]c2ncc(-c3cc(OC[C@@H](N)Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)nc12,0.4
|
70 |
+
CC(C)(CC(O)(Cc1cc2cc(N3CCOCC3)ncc2[nH]1)C(F)(F)F)c1ccccc1S(C)(=O)=O,0.01
|
71 |
+
O=C(Nc1ccc(-c2nnc(NCCCCN3CCOCC3)o2)c(F)c1)c1ccccc1F,64.0
|
72 |
+
CCNc1nc2ccc(C(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)OCc3cncs3)cc2o1,0.03
|
73 |
+
CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2ccc(F)c(F)c2)c(Cl)c1,20.0
|
74 |
+
Cc1nn(C2CCN(C(=O)[C@@H](C)O)CC2)c(C)c1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1,21.0
|
75 |
+
COCc1c(C(=O)NCc2ccncc2)cnn1-c1ncc(C)c(-c2cccs2)n1,2.9
|
76 |
+
O=c1[nH]c2cc(-c3cccnc3)ccc2c2[nH]c(-c3ccccc3Cl)nc12,24.0
|
77 |
+
Cc1c(NC(=O)OC[C@@H]2COCCN2)cn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12,1.6
|
78 |
+
C[C@@H](c1ccc(-c2ccc(F)cc2F)cc1)N1CC[C@](CCCNC(N)=O)(c2ccc(F)cc2)OC1=O,4.0
|
79 |
+
COc1cnc(-c2ccc(CCNc3nc4cc(Cl)ccc4c(=O)n3C)cc2)nc1,8.7
|
80 |
+
Fc1ccc(-c2ccc3c(c2)CCC3c2cccnc2)cc1,1.7
|
81 |
+
COc1ccc2[nH]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1,77.98
|
82 |
+
CC[C@@H](CS(=O)(=O)C(C)(C)C)N1C(=O)[C@@](C)(Cc2noc(=O)[nH]2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1,1.2
|
83 |
+
CCOC(=O)c1cccc(NC(=O)Nc2ccc(-c3ccnc4[nH]cnc34)cc2)c1,0.04
|
84 |
+
Cc1cc(C(=O)N(C)C)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,2.2
|
85 |
+
CCCc1ccc(C(=O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1,7.9
|
86 |
+
COc1ccc(S(=O)(=O)N2CCC(=CC#Cc3cccc(C)n3)CC2)cc1,1.9
|
87 |
+
O=C([C@H]1CNCC[C@@]12OCc1cc(F)c(F)cc12)N(Cc1cccc2cccnc12)C1CC1,8.9
|
88 |
+
COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C,0.39
|
89 |
+
Cn1c(=O)n(-c2cc(-c3ccc(F)cc3F)nc3[nH]ccc23)c2ccncc21,3.98
|
90 |
+
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cncnc4)cc23)c1F,5.0
|
91 |
+
COc1ccc2[nH]c(SCc3ccc(C(C)C)cc3)nc2c1,8.34
|
92 |
+
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCNC(C)=O)CCC2,8.0
|
93 |
+
O=C(C(O)c1ccc(Br)cc1)N1CCC(Nc2ccc3[nH]ncc3c2)CC1,3.5
|
94 |
+
O=c1[nH]c2cc(/C=C3\c4ccccc4COc4cc(F)ccc43)ccc2n1[C@@H]1C[C@@H]2COCCN2C1,5.81
|
95 |
+
[2H]C([2H])(N[C@H]1C[S@+]([O-])C[C@@H](Cc2cc(F)c(N)c(O[C@H](COC)C(F)(F)F)c2)[C@@H]1O)c1cccc(C(C)(C)C)c1,0.1
|
96 |
+
CN(C)CCCOc1cccc(CNC(=O)c2ccc(-c3ccncc3)cc2)c1,2.0
|
97 |
+
C[C@@H]1CN(Cc2ccc(-c3ccccc3C(=O)N3CCC(C(=O)c4ccc(F)cc4)CC3)cc2)C[C@H](C)N1,4.2
|
98 |
+
CC1(C)CN(C(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c2ccccc21,40.0
|
99 |
+
CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(Nc3cc(C)n(C)n3)nc21,3.0
|
100 |
+
N[C@@H](Cc1ccccc1)C(=O)N1CCC(Nc2ccc3[nH]ncc3c2)CC1,1.0
|
101 |
+
Cc1cc(N2CCC(N3CCOCC3)CC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,1.7
|
102 |
+
Cc1cc2c(cc1C(F)(F)F)NC(=O)CC(c1cccc(-c3cccnc3)c1)=N2,1.8
|
103 |
+
CCCN(C)C(=O)CN1Cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2C1=O,5.5
|
104 |
+
O=C(Nc1ccn(-c2cn(Cc3cccc(C(F)(F)F)c3)cn2)c(=O)c1)c1cscn1,1.9
|
105 |
+
CN1CCN(C(=O)[C@@H](COCc2ccc3c(c2)OCCO3)NC(=O)c2cccnc2Oc2ccc(C(F)(F)F)cc2Cl)CC1,3.3
|
106 |
+
Cc1cc(N2CCN(C)CC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,3.5
|
107 |
+
Cc1cc(N2CCNCC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,3.0
|
108 |
+
CC(C)C(O)(c1ccc2cc(-c3cccs3)ccc2c1)c1c[nH]nn1,81.0
|
109 |
+
CC[C@@H]1CCC[C@H](C2(CC(N)=O)CC2)N1S(=O)(=O)c1ccc(Cl)cc1,11.5
|
110 |
+
CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)CC(=O)N3)CC1)c1ccc(Cl)cc1,0.5
|
111 |
+
Cn1nncc1-c1cnn([C@H](CC2CC2)c2ccc(-c3c(-n4cnnn4)ccc(Cl)c3F)c[n+]2[O-])c1,0.8
|
112 |
+
Nc1cc(F)c(S(=O)(=O)N2CCC(O)CC2)cc1C(=O)Nc1ccc(F)c(F)c1,1.0
|
113 |
+
O=C(Nc1cc(-n2cnc3ccccc32)ccn1)C1CC1,0.9
|
114 |
+
C[C@@H]1O[C@@H](NC(=O)c2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O,0.8
|
115 |
+
CC(C)(O)c1cccn2c(C3(c4ccc(Cl)cc4)CC3)nnc12,0.8
|
116 |
+
Cc1cc(Nc2ccc(S(F)(F)(F)(F)F)cc2)n2nc(C(F)(F)F)nc2n1,1.0
|
117 |
+
C[C@H](O)c1nccn1Cc1cc(-c2ccc(C#CC34CC(N)(C3)C4)cc2)on1,1.0
|
118 |
+
CN(C)c1noc(-c2cccc(CNc3ccc4[nH]nc(C(=O)O)c4c3)c2Cl)n1,1.0
|
119 |
+
COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CC(C)(F)F)CC2)c2ccccc12,0.9
|
120 |
+
C=CCOc1ccc(C2CC(=O)Nc3nc(N)[nH]c(=O)c32)cc1OC,0.7
|
121 |
+
Cc1ccc(C(=O)N[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc1,0.3
|
122 |
+
Cc1cn2nc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cc2c(C)n1,0.8
|
123 |
+
O=C(O)c1c(F)ccc2c1OB(O)[C@@H]1C[C@H]21,1.0
|
124 |
+
C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1O,0.9
|
125 |
+
Cc1nnc2n1-c1ccccc1N(c1ccc(Cl)cc1)CC2,0.9
|
126 |
+
CCP(=O)(O)c1ccc2oc(-c3cccc(C(F)(F)F)c3)nc2c1,1.0
|
127 |
+
Cc1nnc2n1-c1ccccc1N(c1ccc(Cl)cc1)CC2C,1.0
|
128 |
+
Cc1nc2c(-c3ccc(S(C)(=O)=O)cc3)cnn2c(NCc2ccccn2)c1C,1.0
|
129 |
+
Nc1nc2c(c(=O)[nH]1)C(c1cccc(OC(F)(F)F)c1)CC(=O)N2,0.9
|
130 |
+
O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(c2ccc3nncn3n2)CC1,1.0
|
131 |
+
COc1ncc(-c2ccc3ncc(Cl)c(=O)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F,1.0
|
132 |
+
O=C(Nc1ccc2nc(S)sc2c1)c1ccc(OC(F)F)c(OCC2CC2)c1,0.5
|
133 |
+
COc1cc(OCc2csc(-c3ccc(C(=O)N(C)C)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1,1.0
|
134 |
+
NS(=O)(=O)N1CCC(C(=O)/C(=N/O)Nc2ccc(F)c(Br)c2)CC1,1.0
|
135 |
+
CC1(CN2CC[C@H](NC(=O)c3cc(-c4ccc(F)cc4F)on3)[C@@H](C(=O)NC3(c4ncccn4)CC3)C2)CC1,1.0
|
136 |
+
Cn1cnc2ncn(Cc3nn(C[C@H](F)c4ccc(Cl)cc4)c(=O)o3)c(=O)c21,0.7
|
137 |
+
CCP(=O)(OC)c1ccc2nc(-c3ccc4ccccc4c3)oc2c1,1.0
|
138 |
+
COc1cc2ccc(Br)cc2cc1[C@@H](c1ccnc(OC)c1OC)[C@@](O)(CCN(C)C)c1ccnc2c1OCCO2,1.0
|
139 |
+
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC(=S)N(C)C)[C@H](C)[C@H]12,0.9
|
140 |
+
O=C(NCCc1csc(-c2ccccc2)n1)N1CCCC1,0.9
|
141 |
+
CCN1CCN(c2ncc(-c3ccc4c(Nc5cnccn5)ccnc4c3)cn2)CC1,0.9
|
142 |
+
Nc1cccnc1Nc1ncnc2ccc(-c3cccc(N4CCOCC4)c3)cc12,0.9
|
143 |
+
O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cccc(-c2ccccc2)c1,1.0
|
144 |
+
Cc1cc(C)n(-c2cccc([C@H](CC(=O)O)CN3CC[C@@H](CCc4ccc5c(n4)NCCC5)C3)c2)n1,0.9
|
145 |
+
Nc1nc(OCc2ccccc2)c2[nH]nnc2n1,1.0
|
146 |
+
COC(=O)c1cccn1-c1ccc(CNc2nccc(C)c2NC(=O)CC#N)cc1,0.8
|
147 |
+
O=C(Nc1cccnc1)c1ccc(CNS(=O)(=O)c2ccc(N3CCOCC3)cc2)cc1,0.8
|
148 |
+
O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O,1.22
|
149 |
+
O=c1oc2c(O)cccc2cc1-c1ccc(O)cc1,2.8
|
150 |
+
O=c1cc(-c2ccccc2)oc2ccc(O)cc12,3.6
|
151 |
+
O=c1c(-c2ccc(O)c(O)c2)coc2cc(O)ccc12,1.88
|
152 |
+
O=c1[nH]n(C(c2ccccc2)c2ccncc2)c(=O)c2c(O)c3ccc(Cl)cc3nc12,1.1
|
153 |
+
O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4c(Cl)cccc4Cl)c3)c2s1,3.15
|
154 |
+
O=C1CN(C(=O)c2ccco2)C(c2ccccc2)c2cc(Cl)ccc2N1,3.0
|
155 |
+
O=C1CCC(=O)N1C(CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1,3.88
|
156 |
+
O=C(c1ccc(F)cc1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1,3.73
|
157 |
+
O=C(O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12,0.0
|
158 |
+
O=C(Nc1nnc(C(=O)Nc2ccc(N3CCOCC3)cc2)o1)c1ccccc1,1.02
|
159 |
+
O=C(Nc1ccc(Cl)nc1)c1ccc(F)c(Cl)c1,3.64
|
160 |
+
O=C(NCc1ccncn1)c1ccc(Oc2ccc(C#C[C@]3(O)CN4CCC3CC4)cc2)cc1,1.77
|
161 |
+
Nc1scc2c(C(=O)NC3CC3)nn(-c3ccc(F)cc3)c(=O)c12,2.8
|
162 |
+
Nc1nc(SCc2ccccc2)nc2c1ncn2[C@H]1O[C@H](CO)[C@H](O)[C@@H]1O,1.24
|
163 |
+
Nc1nc(O)c2ncn(COCCO)c2n1,1.42
|
164 |
+
Nc1ccccc1NC(=O)c1ccccn1,1.0
|
165 |
+
Nc1ccccc1NC(=O)c1ccc(N2CCOCC2)cc1,1.2
|
166 |
+
Nc1cccc2c1C(=O)N(Cc1cccc(Cl)c1)C2=O,3.18
|
167 |
+
Nc1cc(N2CCCCC2)nc(N)[n+]1[O-],0.77
|
168 |
+
Nc1c2c(nc3ccccc13)CCCC2,0.38
|
169 |
+
NCC(O)(c1ccccc1)c1ccccc1,0.9
|
170 |
+
NC1(c2ccc(-c3nc4ccccn4c3-c3ccccc3)cc2)CCC1,2.8
|
171 |
+
NC(=O)c1cnc2[nH]c(-c3ccc(OCCN4CCCCC4)cc3)nc2c1NCCCNC(=O)C1CCC1,2.48
|
172 |
+
NC(=O)c1ccc(Br)cc1,1.75
|
173 |
+
NC(=O)Nc1sc(-c2ccsc2)cc1C(=O)N[C@H]1CCCNC1,1.06
|
174 |
+
N=C(N)NC(=O)c1nc(Cl)c(NCc2ccncc2)nc1N,0.51
|
175 |
+
N#Cc1ccccc1Oc1ccc(C(=O)NCc2ccncc2)cc1,2.57
|
176 |
+
N#Cc1ccc(OC2CCN(C[C@@H](O)CNC(=O)c3c[nH]c(=O)c4ccccc34)CC2)cc1Cl,2.56
|
177 |
+
N#Cc1c(-c2ccc(-c3ccccc3C(F)(F)F)cc2)nc2ccncc2c1O,3.3
|
178 |
+
Fc1ccc(C2CCN(C(=S)COCc3ccncc3)CC2)c(Cl)c1,4.23
|
179 |
+
FC(F)(F)c1cc(COCC(c2cccc(Cl)c2)N2CCNCC2)cc(C(F)(F)F)c1,4.2
|
180 |
+
Cn1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21,3.8
|
181 |
+
Clc1ccc([C@@H]2CC=CCNC2)cc1Cl,1.95
|
182 |
+
Cc1oc2cc(O)ccc2c(=O)c1-c1ccccc1,2.95
|
183 |
+
Cc1ncc(-c2nc(Nc3ccc(C(=O)N4CCCN(C)CC4)cc3)ncc2F)n1C(C)C,2.02
|
184 |
+
Cc1ncc(-c2ccnc(Nc3ccc(N4CCN(C(=O)[C@@H](C)O)CC4)cc3)n2)n1C(C)C,2.15
|
185 |
+
Cc1ncc(-c2ccnc(Nc3ccc(C(N)=O)c(F)c3)n2)n1C(C)C,2.8
|
186 |
+
Cc1nc(NC(=N)N)nc2ccccc12,0.49
|
187 |
+
Cc1cccc(-c2nc3cc(Cl)ccc3[nH]2)n1,4.1
|
188 |
+
Cc1ccc(Sc2ccccc2CN(C)C)c(N)c1,2.6
|
189 |
+
Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O,3.3
|
190 |
+
Cc1ccc(NC(=O)c2cscn2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O,2.06
|
191 |
+
Cc1ccc(NC(=O)c2ccoc2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O,2.43
|
192 |
+
Cc1ccc(C(=O)Oc2ccc(C(O)CNC(C)(C)C)cc2OC(=O)c2ccc(C)cc2)cc1,3.57
|
193 |
+
Cc1cc2[nH]c(=O)c(O)cc(=O)c2cc1C,1.99
|
194 |
+
Cc1cc(N)nc(CCNC(=O)c2ccc(C#N)cc2)c1,1.62
|
195 |
+
Cc1cc(CNc2nccc(Nc3cc(C)[nH]n3)n2)on1,1.86
|
196 |
+
Cc1cc(C)cc(-c2nnc(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)o2)c1,3.0
|
197 |
+
Cc1cc(C)cc(-c2[nH]c3ccccc3c2CCNCCCCc2ccncc2)c1,3.3
|
198 |
+
Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2CCNCCCCc2ccncc2)c1,4.3
|
199 |
+
Cc1cc(C#N)oc1-c1c2c(=O)n(C)c(=O)n(CC3CC3)c2nn1Cc1ccnc2ccc(Cl)cc12,4.34
|
200 |
+
Cc1cc(=O)oc2cc3c(cc12)CCCN3,2.7
|
201 |
+
C[C@H]1CN(C(=O)OCC(F)(F)F)CCN1c1ncc(OCc2ccncc2C#N)cn1,3.0
|
202 |
+
C[C@H]1CCCN1CCc1cc2cc(-c3ccc(C#N)cc3)ccc2o1,3.51
|
203 |
+
C[C@@H]1C(SC2CN(C3=NCCS3)C2)=C(C(=O)OCOC(=O)C(C)(C)C)N2C(=O)[C@@H]([C@@H](C)O)[C@@H]12,2.1
|
204 |
+
C[C@@H](NC1=CC(=O)CNC1)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1,2.49
|
205 |
+
COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC,0.73
|
206 |
+
COc1cccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)c1,3.9
|
207 |
+
COc1ccc2ncc(=O)n(CCN3CC[C@H](NCc4cc5c(cn4)OCCO5)[C@H](O)C3)c2c1,0.77
|
208 |
+
COc1ccc2c(C)nc(=O)n(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2c1,0.29
|
209 |
+
COc1ccc(CN2CCc3c([nH]c4ccccc34)C2)cc1OC,3.1
|
210 |
+
COc1ccc(-c2nc3c(NCCCNC(C)=O)c(Br)cnc3[nH]2)cc1,3.28
|
211 |
+
COc1ccc(-c2nc(N)s[n+]2-c2ccccc2)cc1,2.19
|
212 |
+
COc1ccc(-c2ccc3nc(N)sc3c2)cn1,3.2
|
213 |
+
COc1ccc(-c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1F,2.8
|
214 |
+
COc1cc2ncnc(Nc3ccc(Cl)c(O)c3)c2cc1OC,3.3
|
215 |
+
COc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1OC,3.4
|
216 |
+
COc1cc(OC)c(S(=O)(=O)N(C)c2ccccc2)cc1NC(C)=O,1.1
|
217 |
+
COc1cc(F)ccc1-c1cncc(CNC2CCCCC2)c1,2.6
|
218 |
+
COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCCC1)CCC(=O)N2C,2.87
|
219 |
+
COc1cc(C(=O)N2CC[C@@](CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC,3.23
|
220 |
+
CO[C@H]1CN(CCn2c(=O)ccc3ccc(C#N)cc32)CC[C@@H]1NCc1cc2c(cn1)OCCO2,1.05
|
221 |
+
CO[C@H]1/C=C/O[C@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C/C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C,1.19
|
222 |
+
COCCOc1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1,3.1
|
223 |
+
COC(=O)c1ccc(CC(=O)N(C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1,4.0
|
224 |
+
CN[C@H](C)C(=O)N[C@H](C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(=O)OC)C(c1ccccc1)c1ccccc1)C1CCCCC1,2.42
|
225 |
+
CN1CCN(c2ccc3ncc(C(N)=O)c(Nc4ccc(Cl)cc4Cl)c3c2)CC1,3.23
|
226 |
+
CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O,2.63
|
227 |
+
CN(C)CC/C=C1/c2ccccc2COc2ccccc21,2.15
|
228 |
+
CN(C(=O)Cc1ccc(Cl)c(Cl)c1)C(CN1CCCC1)c1ccccc1,3.38
|
229 |
+
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,0.83
|
230 |
+
CCn1c(SCC(=O)Nc2c(C#N)cnn2-c2ccccc2)nnc1-c1cccs1,2.1
|
231 |
+
CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1,1.33
|
232 |
+
CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1,3.65
|
233 |
+
CCN(C(=O)NCc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1,2.86
|
234 |
+
CCCc1c(OCc2cccc(NC(=O)c3ccccc3C(=O)O)c2)ccc(C(C)=O)c1O,1.9
|
235 |
+
CCC1(c2ccc(N)cc2)CCC(=O)NC1=O,0.6
|
236 |
+
CCC(CC)NC(=O)c1cnn(-c2ccccn2)c1NS(=O)(=O)c1ccc(C)cc1,0.27
|
237 |
+
CCC(CC)NC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccc(C)cc1,0.79
|
238 |
+
CC(NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1,2.7
|
239 |
+
CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1,0.56
|
240 |
+
CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N(C)C)c(Cc3ccccc3C(F)(F)F)sc21,2.9
|
241 |
+
CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)OCc2ccncc2)c1=O)C(=O)C(F)(F)F,2.41
|
242 |
+
CC(C)(C(N)=O)C(=O)NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1Br,2.32
|
243 |
+
CC(=O)Nc1ccc2nc(-c3cccc(F)c3)cc(O)c2c1,2.41
|
244 |
+
CC(=O)Nc1ccc2c(c1)c(-c1cc(NC3CC3)n3ncc(C#N)c3n1)cn2C,2.94
|
245 |
+
CC(=O)N1CCN(c2ccc(Nc3nccc(-c4cnc(C)n4C(C)C)n3)cc2)CC1,2.39
|
246 |
+
COc1cc(C)ccc1-c1cnc2sc(N3CCC(O)(CN)CC3)nn12,1.8
|
247 |
+
Cc1ccccc1N1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N\C1COC1,2.6
|
248 |
+
O=C([C@H]1C[C@@H](c2cccc(Cl)c2)CN1)N1CCN(c2nccc3ccsc23)CC1,3.9
|
249 |
+
Fc1cc(Cl)ccc1-c1ccc(Cn2nnc3ccccc32)cn1,5.48
|
250 |
+
CN(C)c1nc(=O)n(-c2ccccn2)c2cc(Cl)ccc12,0.84
|
251 |
+
c1ccc2c(c1)CCCC2CCCN1CCN(C2CCCCC2)CC1,3.9
|
252 |
+
CN(C)C(=O)CN1CCC(n2cc(Nc3nc(NC4(C)CC4)c4c(=O)n(C)ccc4n3)cn2)CC1,2.4
|
253 |
+
CC(Nc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(-c2cnco2)cc1,3.7
|
254 |
+
CN1CCC(n2cc(Nc3nc(NC4(C)CC4)c4c(=O)n(C)ccc4n3)cn2)CC1,2.4
|
255 |
+
OC1CC2(CCNCC2)Oc2c1ccc1ccccc21,2.46
|
256 |
+
COc1ccc2c(c1)c(Cc1nonc1O)c(C)n2C(=O)c1ccc(Cl)cc1,1.8
|
257 |
+
COc1cc(N2CCC(N(C)C)CC2)c(-c2cnn(C)c2)cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1,1.9
|
258 |
+
CC1(C)NC(=O)N(c2ccc(F)c(C(F)F)c2)C1=O,2.2
|
259 |
+
CC[C@H](C)[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC1=O,2.32
|
260 |
+
Cc1cnc(C(C)(C)C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(C4CC4)n2C2CC3C2)o1,4.4
|
261 |
+
CC1(c2ccncc2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O,3.04
|
262 |
+
COc1ccc(Nc2ncc3[nH]c(=O)n([C@H]4CC[C@H](O)CC4)c3n2)c(C)c1,2.3
|
263 |
+
Cc1noc(C)c1C(=O)N1CCC(c2cn(C)c3ncc(NC(=O)c4cccc(C#N)c4)c(C)c23)CC1,2.0
|
264 |
+
COc1ccc(NC(=N)c2ccc(Cl)cc2)cc1CSC1CCCC1,3.7
|
265 |
+
COc1cc(CCc2cnc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)c(OC)c3)nc2)c(F)c(OC)c1,3.2
|
266 |
+
CNc1nc2nc3c1[nH]c(=O)n3Cc1cccc(c1)OCCCCO2,3.1
|
267 |
+
COc1ccc(S(N)(=O)=O)cc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1,3.6
|
268 |
+
CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1,2.31
|
269 |
+
Cc1ccc(C(=O)NC2CC2)cc1-n1ccnc(NCCc2ccccc2)c1=O,3.0
|
270 |
+
CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CCc1ccc(Br)cc1)c1ccc(-c2scnc2C)cc1)C(C)(C)C,4.08
|
271 |
+
CC(Nc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(C#N)cc1,4.2
|
272 |
+
COc1ccc2nccc(CCN3CCC(NCc4ccc(I)cc4)CC3)c2n1,2.18
|
273 |
+
CN1CCC(n2cc(Nc3nc(NC4(C)CC4)c4c(=O)n(-c5cnn[nH]5)ccc4n3)cn2)CC1,2.5
|
274 |
+
O=C(COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOCCOCCOCc1ccccc1,2.0
|
275 |
+
CC(=O)Nc1nc(C)c(-c2cc3c(c(S(=O)(=O)CCCO)c2)C(=O)N([C@@H](C)C2CC2)C3)s1,1.9
|
276 |
+
O=c1[nH]c(Oc2cn[nH]c2)nc2cnccc12,0.6
|
277 |
+
CN1C[C@@H]2C[C@H]1C[C@@H]2n1cc(Nc2nc(NC3(C)CC3)c3c(=O)n(C)ccc3n2)cn1,1.4
|
278 |
+
CNC(=O)c1cccc(-c2ccnc(NC(=O)C3CCOC3)c2)c1,1.9
|
279 |
+
CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)ccc4n3CC3CC3)ccc21,3.0
|
280 |
+
CCc1nc(C)cn2nc(-c3cc(=O)n4cc(C5CCN(C)CC5)cc(C)c4n3)cc12,2.3
|
281 |
+
N#Cc1cnn2c3cc(nc12)N1CC[C@@H](C1)OC/C=C/COc1cc(cc2c1NC(=O)CC2)N3,2.4
|
282 |
+
CN(C)CCCO/N=C1/C[C@H]2C(C)(C)O[C@H]3CC(=O)OC[C@]32[C@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]43[C@]12C,0.37
|
283 |
+
COc1cc(C)[nH]c(=O)c1CN1CCc2c(Cl)cc([C@@H](O)C3COC3)c(Cl)c2C1=O,1.3
|
284 |
+
Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-c3nncn3C)cc2)cc1,3.21
|
285 |
+
N#CNC(=O)c1ccc(-c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)cc1,1.1
|
286 |
+
Nc1ncnc2c1sc1cc(-c3cccc(C(=O)NCCc4cccnc4)c3)ccc12,2.7
|
287 |
+
O=C(O)CCCOc1ccc([C@H]2CC[C@]3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1,3.6
|
288 |
+
CCP(=O)(OC)c1ccc2nc(-c3ccccc3C(F)F)oc2c1,3.33
|
289 |
+
N=C(N)NC(=O)c1nc(Cl)c(N)nc1N,0.3
|
290 |
+
CCOc1nc(NC(=O)C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5cncnc5)n(C)c4c3)CCC2)ccc1/C=C/C(=O)O,3.4
|
291 |
+
CN1CCN(C(=O)C(C)(C)C)C(c2ccccc2)C1,4.9
|
292 |
+
O=C(C1CC1)N1C2CCC1CN(c1nc(Nc3cnn(CCO)c3)ncc1F)C2,1.8
|
293 |
+
COCC(=O)N(C)C1CCN(Cc2cc3nc(-c4cnc(N)nc4)nc(N4CCOCC4)c3s2)CC1,2.7
|
294 |
+
CC(=O)N1CCN([C@H]2CC[C@H](Nc3ncnc4[nH]cc(C5CCOCC5)c34)CC2)CC1,1.3
|
295 |
+
COc1ccc(Nc2ncc3c(n2)n([C@H]2CC[C@H](O)CC2)c(=O)n3C)cc1,2.3
|
296 |
+
C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H](O)[C@]1(C)O,3.2
|
297 |
+
O=C(CC1SCCNC1=O)Nc1ccc(O)cc1,0.1
|
298 |
+
CC(C)(C)c1ccc(C(=O)Nc2cc(Cl)cnc2C(=O)O)cc1,2.7
|
299 |
+
CNC(=O)c1c(-c2ccc(O)c(F)c2)oc2ccc(O)c(CN3CCC4(COC4)C3)c12,1.0
|
300 |
+
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O,0.95
|
301 |
+
N=C(N)NC(=O)c1nc(-c2cc3ccccc3o2)c(N2CCCCCC2)nc1N,5.1
|
302 |
+
Cc1cc(-c2nc(C(N)=O)c(C)nc2C)ccc1-c1ccc(CC(=O)O)cc1,0.5
|
303 |
+
CN(C1CCCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)C1)S(C)(=O)=O,4.9
|
304 |
+
Cn1cc(-c2cn(C)c3ccc(Oc4ccc(NC(=O)[C@@H]5CCCN5)cc4)cc23)cn1,1.9
|
305 |
+
CN1CCN(c2cc(Cl)c3nc(Nc4ccc(Br)cn4)[nH]c3c2)CC1,3.0
|
306 |
+
O=S(=O)(Nc1ccncn1)c1cc2c(cc1F)[C@@H](N1CC[C@H](C(F)(F)F)C[C@@H]1c1ccccn1)CCO2,1.4
|
307 |
+
C[C@@H]1[C@@H]2CN(c3nc(Nc4cnn(C)c4)ncc3F)C[C@]12NC(=O)[C@@H]1CC1(F)F,2.65
|
308 |
+
CSc1cccc(N2C(=O)CN(C3CCN(CC4=CC[C@H]5C[C@@H]4C5(C)C)CC3)C2=O)c1,5.0
|
309 |
+
O=c1nc(Nc2ncnc3ccc(-c4cccc(N5CCOCC5)c4)cc23)c(F)c[nH]1,2.2
|
310 |
+
CNC(=O)c1c(-c2ccc(O)cc2C)oc2ccc(O)c(CN3CCC4(COC4)C3)c12,1.0
|
311 |
+
CNC(=O)c1c(-c2ccc(O)cn2)oc2ccc(O)c(CN3CCC4(COC4)C3)c12,0.5
|
312 |
+
Cc1ccc2c(c1)c(-c1cc(C)nc3ccccc13)c(C)n2CC(=O)O,2.89
|
313 |
+
Cc1ccccc1C(=O)Nc1cc(C#Cc2ccccc2)ccn1,4.7
|
314 |
+
CCc1cc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4)CC3)cc2[nH]c1=O,2.8
|
315 |
+
CC(=O)N[C@H]1CCN(Cc2cc3nc(-c4cnc(N)nc4)nc(N4CCOCC4)c3s2)C1,1.8
|
316 |
+
Cn1c(C(=O)NC2(c3ccc(C(CC(=O)O)c4cccnc4)cc3)COC2)cc2c(Cl)c(Cl)ccc21,2.61
|
317 |
+
CCOc1cc2oc(=O)n(CCC(=O)O)c2cc1Cl,1.49
|
318 |
+
CNC(=O)c1cc(C(=O)N[C@H]2[C@@H]3C[C@@H](O)C[C@@H]32)cc(Cc2ccccc2)n1,3.1
|
319 |
+
CC1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(c2cccc(C(=N)N)c2)C1,0.49
|
320 |
+
CCC(C(C)=O)N1CCC(N(c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1,4.6
|
321 |
+
CC(=O)N1C[C@@H]2C[C@H]1C[C@H]2c1ccc(-c2cc(C(=O)O)cc3cc(-c4ccc(C(F)(F)F)cc4)ccc23)cc1,0.74
|
322 |
+
O=C(C1CC1)N1CCC(N(c2ccc(Cl)cc2)c2cccnc2)CC1,3.4
|
323 |
+
CC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1O,3.7
|
324 |
+
COC(=O)N1CC[C@@H](Cc2cccc([C@@H](CC#N)Nc3nc4nc(C)ccc4[nH]3)c2)C1,3.1
|
325 |
+
C[C@H]1[C@H](F)C[C@@H](C(=O)NCc2cc(-c3cnc(C(F)(F)F)cn3)ncn2)N1S(=O)(=O)c1ccc(F)cc1,2.3
|
326 |
+
CCCC(=O)Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12,3.7
|
327 |
+
CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(N2CCC[C@@]3(C2)CC(C)(C)OC3=O)CC1,3.01
|
328 |
+
CC(C)c1cccc(OCC(=O)Nc2ccc(OCC(=O)O)c(F)c2)c1,0.15
|
329 |
+
CCC1CN(Cc2ccccc2)c2cc(Br)ccc2N1C(C)=O,7.4
|
330 |
+
COc1ccccc1[C@H](N)CNc1cc(C)nc2nc(N[C@H](CC#N)c3cccc(Cl)c3)nn12,3.1
|
331 |
+
Cc1cc2c(cc1C)-c1oc(C(=O)N3CCN(Cc4ccccc4)CC3)c(C)c1C(=O)C2=O,4.82
|
332 |
+
O=C(NOCCO)c1ccc2cnsc2c1Nc1ccc(I)cc1F,3.1
|
333 |
+
Cc1c(F)ccc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CCNCC4)cc32)c1F,1.12
|
334 |
+
O=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Cl,1.13
|
335 |
+
O=C(C1CCN(c2ccccn2)CC1)N1N=CC[C@H]1c1ccccc1,5.1
|
336 |
+
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O,1.6
|
337 |
+
CCCc1ccc(N2C[C@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)OC2=O)cc1,1.6
|
338 |
+
CN(CCc1ccc(O)c2nc(O)sc12)CCN(C)C(=O)CCOCCc1ccccc1,2.59
|
339 |
+
CN1CCCN[C@@H](Cc2ccc(Cl)cc2)CC(=O)N[C@H]2CCc3ccccc3N(CC(=O)N[C@H](Cc3ccc(Cl)c(Cl)c3)CC1=O)C2=O,4.3
|
340 |
+
CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCOCC3)cc2C1=O,1.3
|
341 |
+
CC(C)(C)OC(=O)N1CCCC(c2cn3nc(Cl)ccc3n2)C1,4.04
|
342 |
+
CS(=O)(=O)NC(=O)COc1ccc([C@H]2CC[C@]3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1,3.0
|
343 |
+
C=CC(=O)N1C[C@H](COc2nc(Nc3cnn(C)c3)nc3[nH]ccc23)[C@@H](C(F)(F)F)C1,2.7
|
344 |
+
CC(C)(C)CCNc1cc(N2CCN(C3CCCCC3)CC2)ncn1,3.84
|
345 |
+
CCN(CC)C(=O)c1ccc2c(C(=O)O)ccc(O)c2n1,1.5
|
346 |
+
CC(=O)Nc1ccc(Cc2noc(-c3ccc4[nH]cc(CCN)c4c3)n2)cc1,0.48
|
347 |
+
O=C(N[C@H]1C2CC3CC1C[C@](O)(C3)C2)c1cnc(N2CCOCC2)nc1C1CCCC1,3.0
|
348 |
+
c1ccc(CN2CCC(Oc3ncnc4c3ccn4Cc3ccccc3)CC2)cc1,4.96
|
349 |
+
CCC[C@H](c1ccc(C(=O)O)c(Oc2cccc(Cl)c2)c1)N1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1,0.6
|
350 |
+
Cc1cc(-c2cc3[nH]nc(N[C@@H]4CCNC[C@H]4F)c3cc2C2CC2)cc(C)n1,2.7
|
351 |
+
Cc1ccc(S(=O)(=O)NCCc2ccc(Oc3ccc(F)c(F)c3)cc2)cc1C(=O)O,1.6
|
352 |
+
CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2cccc(C(F)(F)F)c2)C2CCN(S(C)(=O)=O)CC2)CC1,1.9
|
353 |
+
CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)C(Oc2ccccc2)c2nnc(-c3ccccc3)n2-c2ccccc21,3.08
|
354 |
+
Cc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)c2cccnc12,2.6
|
355 |
+
CCCC(Nc1cnc(-n2cc(C(F)(F)F)cn2)nc1)c1ccc(C(=O)NCCC(=O)O)cc1,1.3
|
356 |
+
C=CC(=O)CCC(=O)OCC(O)COc1ccc(Cl)cc1,2.44
|
357 |
+
CCCC(Oc1ccc(-n2cc(Cl)cn2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1,2.6
|
358 |
+
CC(C)N(C(=O)CN1C(=O)C(Cc2ccccc2)c2nnc(-c3ccccc3)n2-c2ccccc21)c1ccccc1,3.13
|
359 |
+
CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)C2CCN(S(=O)(=O)CC(F)(F)F)CC2)CC1,2.2
|
360 |
+
c1cc(-c2ccc3ncnc(Nc4ccncn4)c3c2)cc(N2CCOCC2)c1,3.1
|
361 |
+
CC(C)CS(=O)(=O)N[C@H]1C[C@@H](N(C)c2ncnc3[nH]ccc23)C1,2.4
|
362 |
+
O=C(CCCCCNCCc1ccc(O)c2nc(O)sc12)NCCc1ccccc1,1.29
|
363 |
+
CCOc1nc(NC(=O)C(C)(C)NC(=O)c2ccc3c(C4CCCC4)c(-c4ccc(Cl)cn4)n(C)c3c2)ccc1/C=C/C(=O)O,4.4
|
364 |
+
COc1ccc2c(c1Cl)C(=O)N(Cc1c(C)cc(C)[nH]c1=O)CCC2,1.7
|
365 |
+
COc1ccc2cc(CCC(C)=O)ccc2c1,3.18
|
366 |
+
O=C(O)c1cccc(N2CCC(CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)c1,2.19
|
367 |
+
CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(Cl)cn2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1,1.46
|
368 |
+
CNCc1cc(-c2ccccc2CO)n(S(=O)(=O)c2cccnc2)c1,0.3
|
369 |
+
C/C=C1/NC(=O)CC[C@H](C(=O)O)NC(=O)[C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@H](Cc2ccccc2)OC)NC(=O)[C@H](CCC/N=C2/N=C(c3ccccc3)C(O)N2)NC(=O)[C@@H](C)[C@H](C(=O)O)NC1=O,4.8
|
370 |
+
Nc1ccc(-c2ccc(/C=C3\Oc4ccccc4C3=O)cc2)cn1,3.67
|
371 |
+
CCN(CC)CCNC(=O)c1cc(I)c(N)cc1OC,1.62
|
372 |
+
C[n+]1ccn(COCCC[Si](C)(C)C)c1/C=N/O,0.43
|
373 |
+
CC(C)(C)c1ccc(C(=O)Nc2cn3cc(Br)ccc3n2)cc1,4.17
|
374 |
+
Cc1cn([C@H]2CCCN([C@@H](CC(C)(C)C)c3ccc(C(=O)O)c(Oc4cccc(Br)c4)c3)C2)c(=O)[nH]c1=O,1.2
|
375 |
+
CCC(C)(CC)C[C@H](c1ccc(C(=O)O)c(Oc2cccc(Br)c2)c1)N1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1,1.99
|
376 |
+
CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1,5.07
|
377 |
+
Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1,2.77
|
378 |
+
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1,3.8
|
379 |
+
CN(C)CCc1c[nH]c2ccc(Cc3ncn(C)n3)cc12,1.01
|
380 |
+
COc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)c(F)c3)cnc2N)cn1,2.5
|
381 |
+
CCNCCN(CC)c1cc(-c2ccc(C(F)(F)F)cc2)c(C#N)c2nc3ccccc3n12,3.52
|
382 |
+
Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-n3cnc(C)c3)cc2)cc1,4.08
|
383 |
+
Cc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)cn1,1.8
|
384 |
+
Cc1cc(OCCCN2CCCC2=O)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1,3.22
|
385 |
+
CN(Cc1c(C(=O)N[C@@H]2CCC[C@H](O)C2)noc1-c1ccc(C(F)(F)F)cc1)[C@@H]1CCOC1,4.5
|
386 |
+
Cc1c(CN2CCCC2)cc(-c2ccc(Cl)cc2)n1CCCNc1ccnc2cc(Cl)ccc12,2.35
|
387 |
+
COc1cc2c(cc1OC)CN(CCCCNC(=O)c1cc(C)ccc1OC)CC2,2.83
|
388 |
+
COc1cc(O)c2c(c1C)C(=O)OCCCCC(=S)N[C@H](c1nc(C)no1)CSC2,3.09
|
389 |
+
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,1.46
|
390 |
+
O=c1c2c([nH]c3cccc(Cl)c13)CCCC2,1.8
|
391 |
+
COc1ccc2c(=O)c3c([nH]c2c1)CC(C)(C)CC3,2.2
|
392 |
+
CCc1nc2nc(C)cc(Nc3ccc(C(F)(F)F)cc3)n2n1,3.0
|
393 |
+
CC(C)(C)c1cc(C(=O)Nc2cccnc2)n(Cc2ccccc2)n1,3.8
|
394 |
+
C=CC(=O)Nc1cccc(Oc2nc(Nc3cnn(C)c3)nc3[nH]ccc23)c1,3.2
|
395 |
+
N#CC1(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCc3[nH]c4cc(F)ccc4c3C2)CC1,3.0
|
396 |
+
CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](NS(C)(=O)=O)CC4)nc3cc2Cl)CC1,2.5
|
397 |
+
Fc1ccc(-c2ncco2)c(C2Cc3nccn3C2)c1,2.3
|
398 |
+
C[C@@H]1CN(Cc2ccc(-n3ccnc3C(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)C[C@H](C)N1,0.82
|
399 |
+
CS(=O)(=O)Nc1ccc(Cc2noc(-c3ccc4[nH]cc(CCN)c4c3)n2)cc1,0.25
|
400 |
+
Nc1nc(O)c2[nH]c(N)c(Cc3ccsc3)c2n1,1.08
|
401 |
+
COc1cc(OC)c(S(=O)(=O)N2c3ccccc3CCC2C)cc1NC(=O)CCc1nn[nH]n1,0.34
|
402 |
+
COc1ccc(OC)c(S(=O)(=O)N(C)Cc2ccc(F)cc2)c1,3.7
|
403 |
+
O=C(c1csc2ccccc12)N(CCc1ccc(Cl)cc1)C1CCC2(CC1)OCCO2,5.0
|
404 |
+
Cc1ncsc1CCOCCCS(=O)(=O)CCNCCc1ccc(O)c2nc(O)sc12,1.44
|
405 |
+
O=C1c2ccccc2CCN1CCCN1CCN(C2CCCCC2)CC1,1.49
|
406 |
+
O=C(C1CCN(C(=O)C(F)(F)F)CC1)N1N=CCC1c1ccccc1,4.9
|
407 |
+
COc1cc2c(cc1OC)C1CC(N)C(N3CCC(C)CC3=O)CN1CC2,0.2
|
408 |
+
O=C(NCC1CCN(Cc2ccc(NS(=O)(=O)C3CCCCC3)cc2)CC1)c1c[nH]c2ccccc12,0.5
|
409 |
+
O=C(c1c(Cl)cccc1C(F)(F)F)c1nc([C@H]2CC[C@@H](C(=O)O)CC2)c2ccccn12,1.8
|
410 |
+
CCOc1cc(Cl)c(C(=O)NC(=O)Nc2nc3ccc(CN4CCN(C)CC4)cc3s2)cc1-c1ccn[nH]1,3.9
|
411 |
+
COc1cc(O)c2c(c1C)C(=O)OCC(=O)NCC(=S)N[C@H](c1nc(C)no1)CSC2,2.32
|
412 |
+
CCN1Cc2cc(-c3nnn(-c4cccnc4F)c3C)ccc2C1=O,1.8
|
413 |
+
CCN(CCNC(=O)c1cnc2cc(I)ccc2n1)CCOCCOCCOCC[18F],1.52
|
414 |
+
COc1cccc2c(=O)c3c([nH]c12)CC(C)(C)CC3,2.4
|
415 |
+
O=C(c1cc(C(F)(F)F)no1)N1CCC(c2cc3ncccc3[nH]2)C1,3.12
|
416 |
+
CCCC(Oc1cnc(-n2cc(C(F)(F)F)cn2)nc1)c1ccc(C(=O)NCCC(=O)O)cc1,1.5
|
417 |
+
Cc1cccnc1CN1CCC(Oc2ncnc3c2ccn3Cc2ccccc2)CC1,4.15
|
418 |
+
C[C@@H](CO)Oc1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(C(=O)Nc2nccs2)c1,2.67
|
419 |
+
c1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2ccc3[nH]cnc3c2)n1,2.5
|
420 |
+
Cc1nnc(C(C)C)n1C1CCN(C(C)C[C@H](NC(=O)CC2CC2)c2ccccc2)CC1,1.9
|
421 |
+
CCNC(=O)c1ccc(Nc2nccc(N3C[C@H]4CC[C@H](C3)N4C(=O)C3CC3)n2)cc1,1.86
|
422 |
+
O=c1c2c([nH]c3c(F)c(F)ccc13)CCCC2,1.9
|
423 |
+
Cc1cc(NCCN2CCCCC2)nc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc12,2.72
|
424 |
+
Cc1ccc2oc(N3CCN4CCC3CC4)nc2n1,0.36
|
425 |
+
Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1,2.17
|
426 |
+
CNC(=O)c1cccc2c1c(Sc1ccc(Cl)cc1)c(C)n2CC(=O)O,0.9
|
427 |
+
Cc1cnn(CC(=O)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@](C)(O)CC[C@@H]5[C@H]4CC[C@]23C)c1,5.0
|
428 |
+
Cc1cc(N[C@H]2C[C@@H]2c2ccccc2)n2nc(N[C@H](C)c3cccc(Cl)c3)nc2n1,4.9
|
429 |
+
NC(=O)c1ccc(CCOCCCS(=O)(=O)CCNCCc2ccc(O)c3nc(O)sc23)cc1,1.1
|
430 |
+
CC(C)Oc1nc(C2CC2)c(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)s1,3.4
|
431 |
+
CC(C)C[C@H](NC(=O)C1CCCN1c1nc2ccccc2c(=O)o1)C(N)=O,1.0
|
432 |
+
COC(=O)N1CCN([C@H]2CC[C@H](Nc3ncnc4[nH]cc(C5CCOCC5)c34)CC2)CC1,2.0
|
433 |
+
CCc1cc(N)cc2nc(N3CCCC3C(=O)N[C@@H](CC(C)C)C(N)=O)oc(=O)c12,1.6
|
434 |
+
CC(=O)Oc1ccccc1C(=O)O,2.57
|
435 |
+
CC(C)c1nc(-c2cccc(S(C)(=O)=O)c2)c(-c2ccc(F)cc2)n1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-],0.6
|
436 |
+
C=CCN(C(=O)N(CCCl)N=O)C1CCCCC1,0.91
|
437 |
+
CC(C#Cc1cccs1)n1[nH]c(=O)c2[nH]c3cc(Cl)ccc3c(=O)c2c1=O,2.4
|
438 |
+
Fc1cc(-c2cc([C@H]3C[C@H]4CC[C@H]3N4)cnc2Cl)ccn1,0.77
|
439 |
+
CCS(=O)(=O)N(Cc1cccnc1)c1cccc(-c2nc3ccccc3s2)c1,3.6
|
440 |
+
Cc1ncc(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(CC(C)C)n1,1.4
|
441 |
+
Cc1cc(N2CCN(C)CC2)n2nc(N[C@H](CC#N)c3cccc(Cl)c3)nc2n1,2.4
|
442 |
+
CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)N2CCC(Cc3ccccc3)CC2)CC1,3.7
|
443 |
+
CSc1nc2nc(C)cc(Nc3ccc(C(F)(F)F)cc3)n2n1,3.2
|
444 |
+
CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1,4.4
|
445 |
+
COc1ccc(NC(=N)c2cccs2)cc1COC1CCCC1,2.7
|
446 |
+
CN(C)CCc1c[nH]c2ccc(-c3nc(Cc4ccc(NS(C)(=O)=O)cc4)no3)cc12,1.25
|
447 |
+
O=C(c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1,2.1
|
448 |
+
N[C@H]1C[C@]1(F)c1ccc(Cl)cc1,2.23
|
449 |
+
O=C(Nc1cc(Nc2c(Cl)cnc3c2OCO3)ccn1)C1CC1,2.7
|
450 |
+
CNCc1cc(-c2ncccc2C)n(S(=O)(=O)c2cccnc2)c1,0.53
|
451 |
+
Cc1ncc(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(C2CCCC2)n1,2.0
|
452 |
+
CCN1CCN(Cc2cnc(-c3ccc(C(=O)Nc4ccccc4N)cc3)c(C#N)c2)CC1,1.14
|
453 |
+
CC(C)CCc1sc(NC(=O)c2cc(NC(=O)c3cc(NC(=N)c4cccc(F)c4)cn3C)cn2C)nc1C(=O)NCCN1CCOCC1,4.51
|
454 |
+
Cc1ccc(CO)cc1,1.8
|
455 |
+
COc1ccc(-c2cc(-c3cccc(S(C)(=O)=O)c3)cnc2N)cn1,2.3
|
456 |
+
COc1ccc(-c2cc(CC[C@](C)(C(=O)NO)S(C)(=O)=O)on2)c(F)c1,1.23
|
457 |
+
Cc1cc(C(=O)[O-])nn1C(C)c1cc(Cl)ccc1OCc1ccccc1,1.0
|
458 |
+
COc1ccc2[nH]c(C3CCCN(C(=O)c4ccc(F)cc4)C3)cc2n1,3.39
|
459 |
+
COCc1c(Cl)ccc2c1CC[C@H]2c1ncc[nH]1,2.6
|
460 |
+
CN1C(=O)[C@H](NC(=O)Nc2ccc3c(c2)N(c2nn[nH]n2)CC3)N=C(c2ccccc2)c2ccccc21,1.38
|
461 |
+
c1ccc2ccccc2c1,3.33
|
462 |
+
CCCC/C(C)=C/C=C(\C)C(=O)c1c(O)cc(C(C)CC/C=C/NC(=O)OC)oc1=O,0.3
|
463 |
+
COc1ccc(NC(=N)c2ccncc2)cc1CSC1CCCC1,2.9
|
464 |
+
CC1CN(C)C(C)c2cc(C=O)[nH]c21,0.69
|
465 |
+
CCN1C(=O)C2(CCCN(C3CCN(C(=O)c4c(NC(N)=O)sc5ccccc45)CC3)C2)N=C1C,1.77
|
466 |
+
O=C(NC[C@H]1CC[C@]2(CC1)OO[C@]1(O2)C2CC3CC(C2)CC1C3)c1ccccn1,5.6
|
467 |
+
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)O)CC3OC1CC(N2CCOCC2)C(O)C(C)O1,2.03
|
468 |
+
COCC(=O)NC1CCN(Cc2cc3nc(-c4cccc5[nH]ccc45)nc(N4CCOCC4)c3s2)CC1,4.3
|
469 |
+
O=C(O)CCc1ccc(OCc2ccccc2)cc1,1.96
|
470 |
+
Cc1cccc(C)c1CNc1nc(N2CCCC2=O)cc2c(C)c(C)[nH]c12,3.77
|
471 |
+
Cc1cccc(C)c1CNc1nc(-c2ccccc2)cc2c(C)c(C)[nH]c12,5.31
|
472 |
+
CC(Oc1ccccc1F)C(=O)Nc1ccc(OCC(=O)O)c(F)c1,0.07
|
473 |
+
CC1(C)N=C(N)N=C(N)N1c1cccc(O)c1,3.67
|
474 |
+
CCN(CC)CCCNc1cc(-c2ccccc2)c(C#N)c2nc3ccccc3n12,2.0
|
475 |
+
Cc1nnc(C(C)C)n1C1CCN(C(C)C[C@H](NC(=O)C2CCC(F)(F)CC2)c2ccccc2)CC1,2.0
|
476 |
+
N[C@@H]1CCN(c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)C1,0.86
|
477 |
+
CNC(=O)c1cc(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)cc(C(CC#N)c2ccccc2)n1,3.1
|
478 |
+
C[C@@H](Oc1cc2onc(CCC(=O)O)c2cc1Cl)c1ccc(F)cn1,2.47
|
479 |
+
NC(=O)c1cc(NC(=O)c2cc(-c3cccc(C(F)F)n3)ccc2Cl)n(-c2ccccc2)n1,3.5
|
480 |
+
C[C@H](CCC(O)(P(=O)(O)O)P(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,3.34
|
481 |
+
Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cc(-c3ccc4ncccc4c3)[nH]n2)cc1,5.2
|
482 |
+
COc1cc2ncnc(Oc3ccc(NC(=O)Cn4nnc(C(C)C)n4)cc3)c2cc1OC,3.0
|
483 |
+
CN(Cc1nc2ccccc2c(=O)[nH]1)Cc1nc(-c2ccccc2)no1,3.1
|
484 |
+
CCNC(=O)Nc1sc2ncccc2c1C(=O)N1CCC(N2CCCC3(C2)CC(C)(C)OC3=O)CC1,2.08
|
485 |
+
CC(C)(O)C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1-c1cn[nH]c1,1.8
|
486 |
+
CC(C)(O)C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1C#N,1.6
|
487 |
+
CC[C@]1(C)NC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3F)ccc2NC1=O,1.7
|
488 |
+
Cc1cccc(N(C)C(=S)Oc2ccc3ccccc3c2)c1,5.4
|
489 |
+
O=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2CCCC2=O)CC1,1.96
|
490 |
+
Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-n2ccnn2)cc1,1.97
|
491 |
+
COC1CCN(c2nccc(Nc3cc4c(cn3)ncn4C(C)C)n2)CC1,2.5
|
492 |
+
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1,0.97
|
493 |
+
CNc1nc(NCCCN(C)C)c2sc(-c3ccc(C(F)(F)F)cc3Cl)cc2n1,4.5
|
494 |
+
CN1CCN(c2cc(NCC(C)(C)C)ncn2)CC1,1.75
|
495 |
+
CNCc1cc(-c2cccnc2F)n(S(=O)(=O)c2ccsc2)c1,0.83
|
496 |
+
CC(C)=CCc1c(O)cc(O)c2c1O[C@@]13C(=C[C@H]4C(=O)C1(CC=C(C)C)OC[C@@H]3[C@H]4COC(=O)Cc1ccccc1)C2=O,5.1
|
497 |
+
COc1ccc(C(=O)O)cc1-c1ccc(C#CCO)s1,0.79
|
498 |
+
Cc1nn(Cc2ccncc2)c(-c2ccc(F)cc2)c1-c1ccc2c(c1)NC(=O)CO2,2.2
|
499 |
+
Cc1nc2cc3ccccc3cc2c(=O)o1,2.8
|
500 |
+
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cn(C)cn1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1,3.71
|
501 |
+
C[C@@H](Oc1ccc(C(F)(F)F)cc1-c1cccc(C#N)c1)C(=O)O,0.2
|
sft/test/admet_reg.json
ADDED
@@ -0,0 +1,2502 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
1 |
+
[
|
2 |
+
{
|
3 |
+
"instruction": "我想知道这个分子的CYP2C9酶代谢率,你能提供吗?",
|
4 |
+
"input": "Cc1nc2c(N[C@H]3c4ccccc4C[C@@H]3O)cc(-n3cncn3)cn2c1C",
|
5 |
+
"output": "5.3(Log10uM)"
|
6 |
+
},
|
7 |
+
{
|
8 |
+
"instruction": "请提供该分子的CYP2C9酶代谢水平。",
|
9 |
+
"input": "CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2",
|
10 |
+
"output": "8.8(Log10uM)"
|
11 |
+
},
|
12 |
+
{
|
13 |
+
"instruction": "这个分子的CYP2C9酶的活性水平是多少?",
|
14 |
+
"input": "Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc([S+](C)[O-])cc2)cc1",
|
15 |
+
"output": "26.0(Log10uM)"
|
16 |
+
},
|
17 |
+
{
|
18 |
+
"instruction": "你能给我这个分子的CYP2C9酶的活性水平吗?",
|
19 |
+
"input": "COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1",
|
20 |
+
"output": "3.0(Log10uM)"
|
21 |
+
},
|
22 |
+
{
|
23 |
+
"instruction": "请提供该分子的CYP2C9酶代谢率。",
|
24 |
+
"input": "CC(C)Cn1c(=O)n(C)c(=O)c2c(SCCCO)c(Cc3cccc4ccccc34)sc21",
|
25 |
+
"output": "0.5(Log10uM)"
|
26 |
+
},
|
27 |
+
{
|
28 |
+
"instruction": "这个分子的CYP2C9酶代谢率是多少?",
|
29 |
+
"input": "COc1cccc(-c2nc(CCOc3cccc(C[C@@H]4C(=O)N(c5ccc(C(C)(C)C)cc5)[C@@H]4C(=O)O)c3)c(C)o2)c1",
|
30 |
+
"output": "0.65(Log10uM)"
|
31 |
+
},
|
32 |
+
{
|
33 |
+
"instruction": "你能告诉我这个分子的CYP2C9酶的活性水平吗?",
|
34 |
+
"input": "Cc1cc2cc(N/C(=N\\C(=O)c3ccc[n+]([O-])c3)N[C@H]3CCCCN(CC(=O)N4CCCC4)C3=O)ccc2o1",
|
35 |
+
"output": "100.0(Log10uM)"
|
36 |
+
},
|
37 |
+
{
|
38 |
+
"instruction": "这个分子的CYP2C9酶代谢率是多少?",
|
39 |
+
"input": "O=C(Nc1nc(C(F)(F)F)co1)C1c2ccccc2Oc2ccccc21",
|
40 |
+
"output": "0.6(Log10uM)"
|
41 |
+
},
|
42 |
+
{
|
43 |
+
"instruction": "我想知道这个分子的CYP2C9酶代谢水平,你能提供吗?",
|
44 |
+
"input": "COc1nc(-c2csc(Nc3c4c(nn3CC(F)(F)F)CCC4)n2)ccc1-n1cnc(C)c1",
|
45 |
+
"output": "11.0(Log10uM)"
|
46 |
+
},
|
47 |
+
{
|
48 |
+
"instruction": "你能告诉我这个分子的CYP2C9酶的活性水平值吗?",
|
49 |
+
"input": "CC(C)(c1cc(-c2cccc(-c3cccnc3)c2)c2ncccc2c1)S(C)(=O)=O",
|
50 |
+
"output": "0.63(Log10uM)"
|
51 |
+
},
|
52 |
+
{
|
53 |
+
"instruction": "请提供该分子的CYP2C9酶的活性水平。",
|
54 |
+
"input": "CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N3C[C@H](O)CO3)c(Cc3c[nH]c4ncccc34)sc21",
|
55 |
+
"output": "17.0(Log10uM)"
|
56 |
+
},
|
57 |
+
{
|
58 |
+
"instruction": "这个分子的CYP2C9酶代谢水平是多少?",
|
59 |
+
"input": "CCn1c(C)c(C)c2cc(-n3ccccc3=O)nc(NCc3c(C)cccc3C)c21",
|
60 |
+
"output": "0.7(Log10uM)"
|
61 |
+
},
|
62 |
+
{
|
63 |
+
"instruction": "这个分子的CYP2C9酶的活性水平是多少?",
|
64 |
+
"input": "CCCCCCSc1nc2cc(OC)ccc2[nH]1",
|
65 |
+
"output": "2.92(Log10uM)"
|
66 |
+
},
|
67 |
+
{
|
68 |
+
"instruction": "请提供该分子的CYP2C9酶的活性水平。",
|
69 |
+
"input": "CCN1C(=O)COc2ccc(CN3CCN(CCOc4cccc5nc(C)ccc45)CC3)cc21",
|
70 |
+
"output": "14.0(Log10uM)"
|
71 |
+
},
|
72 |
+
{
|
73 |
+
"instruction": "我想知道这个分子的CYP2C9酶代谢水平,你能提供吗?",
|
74 |
+
"input": "CS(=O)(=O)N1CC[C@H](N(Cc2ccccc2F)c2ccc(C#N)c(Cl)c2)C1",
|
75 |
+
"output": "1.7(Log10uM)"
|
76 |
+
},
|
77 |
+
{
|
78 |
+
"instruction": "请给我提供这个分子的CYP2C9酶代谢水平。",
|
79 |
+
"input": "CC(C)c1nc2cccnc2n1-c1ccc(C[C@H](NC2=C(Br)C(=O)C23CCCCC3)C(=O)O)cc1",
|
80 |
+
"output": "18.0(Log10uM)"
|
81 |
+
},
|
82 |
+
{
|
83 |
+
"instruction": "这个分子的CYP2C9酶的活性水平是多少?",
|
84 |
+
"input": "CCc1c(CCCC(=O)O)cccc1-c1nnc(-c2ccc(OC(C)C)c(C#N)c2)o1",
|
85 |
+
"output": "7.94(Log10uM)"
|
86 |
+
},
|
87 |
+
{
|
88 |
+
"instruction": "这个分子的CYP2C9酶的活性水平是多少?",
|
89 |
+
"input": "Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O",
|
90 |
+
"output": "2.0(Log10uM)"
|
91 |
+
},
|
92 |
+
{
|
93 |
+
"instruction": "我想知道这个分子的CYP2C9酶代谢水平,你能提供吗?",
|
94 |
+
"input": "CCCS(=O)(=O)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3)nc2c1",
|
95 |
+
"output": "9.5(Log10uM)"
|
96 |
+
},
|
97 |
+
{
|
98 |
+
"instruction": "我想知道这个分子的CYP2C9酶代谢率,你能提供吗?",
|
99 |
+
"input": "O=C(NCc1ccc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)c1cnc2[nH]ncc2c1",
|
100 |
+
"output": "0.07(Log10uM)"
|
101 |
+
},
|
102 |
+
{
|
103 |
+
"instruction": "我需要知道这个分子的CYP2C9酶代谢率,你能提供吗?",
|
104 |
+
"input": "NC(=O)[C@]12CC3CC(C1)[C@@H](OC(=O)N1CC[C@@H](Nc4ncccc4C(F)(F)F)C1)C(C3)C2",
|
105 |
+
"output": "9.4(Log10uM)"
|
106 |
+
},
|
107 |
+
{
|
108 |
+
"instruction": "请提供该分子的CYP2C9酶代谢率。",
|
109 |
+
"input": "Nc1n[nH]cc1-c1cc(C(F)(F)F)ccc1Oc1cc(F)c(S(=O)(=O)Nc2nncs2)cc1Cl",
|
110 |
+
"output": "0.66(Log10uM)"
|
111 |
+
},
|
112 |
+
{
|
113 |
+
"instruction": "请给我提供这个分子的CYP2C9酶代谢率。",
|
114 |
+
"input": "CN1C[C@@H]2CCC[C@]2(c2ccc(Cl)c(Cl)c2)C1",
|
115 |
+
"output": "9.83(Log10uM)"
|
116 |
+
},
|
117 |
+
{
|
118 |
+
"instruction": "这个分子的CYP2C9酶代谢水平是多少?",
|
119 |
+
"input": "CC(C)c1cc(Nc2ccc(Cl)cc2Cl)ncc1C(=O)NCC1CCOCC1",
|
120 |
+
"output": "40.0(Log10uM)"
|
121 |
+
},
|
122 |
+
{
|
123 |
+
"instruction": "你能给我这个分子的CYP2D6酶代谢水平吗?",
|
124 |
+
"input": "N#Cc1ccc(Cl)cc1S[C@H](CCN)c1ccccc1",
|
125 |
+
"output": "4.1(Log10uM)"
|
126 |
+
},
|
127 |
+
{
|
128 |
+
"instruction": "你能告诉我这个分子CYP2D6酶代谢率吗?",
|
129 |
+
"input": "CNC(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1",
|
130 |
+
"output": "1.2(Log10uM)"
|
131 |
+
},
|
132 |
+
{
|
133 |
+
"instruction": "我想知道这个分子的CYP2D6酶的活性水平,你能提供吗?",
|
134 |
+
"input": "CNCC1(O)Cc2ccccc2C1Sc1ccccc1C",
|
135 |
+
"output": "0.4(Log10uM)"
|
136 |
+
},
|
137 |
+
{
|
138 |
+
"instruction": "请给我提供这个分子的CYP2D6酶代谢率。",
|
139 |
+
"input": "CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1",
|
140 |
+
"output": "2.0(Log10uM)"
|
141 |
+
},
|
142 |
+
{
|
143 |
+
"instruction": "我对这个分子的CYP2D6酶代谢水平很感兴趣,你能告诉我它是什么吗?",
|
144 |
+
"input": "CCc1cc(NC(=O)NCCCN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(-c2nnnn2C)c1",
|
145 |
+
"output": "1.3(Log10uM)"
|
146 |
+
},
|
147 |
+
{
|
148 |
+
"instruction": "这个分子的CYP2D6酶代谢水平是多少?",
|
149 |
+
"input": "Fc1ccc(O[C@@H](c2ccccc2)[C@H]2CCNC2)c(Cl)c1",
|
150 |
+
"output": "0.5(Log10uM)"
|
151 |
+
},
|
152 |
+
{
|
153 |
+
"instruction": "请提供该分子的CYP2D6酶代谢水平。",
|
154 |
+
"input": "COc1nccnc1CC1=C(CCN(C)C)Cc2cc(Cl)ccc21",
|
155 |
+
"output": "0.69(Log10uM)"
|
156 |
+
},
|
157 |
+
{
|
158 |
+
"instruction": "你能给我这个分子的CYP2D6酶的活性水平?",
|
159 |
+
"input": "CN(C)CCCn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)CO)c3n2)c2cc(OC(F)F)ccc21",
|
160 |
+
"output": "48.0(Log10uM)"
|
161 |
+
},
|
162 |
+
{
|
163 |
+
"instruction": "我想知道这个分子的CYP2D6酶代谢率,你能提供吗?",
|
164 |
+
"input": "O=C(NCC1CCOCC1)c1cnc(Nc2ccc(Cl)cc2Cl)cc1C1CC1",
|
165 |
+
"output": "55.0(Log10uM)"
|
166 |
+
},
|
167 |
+
{
|
168 |
+
"instruction": "你能告诉我这个分子CYP2D6酶的活性水平吗?",
|
169 |
+
"input": "Cc1cc(/C=C/C(=O)/C=C/c2cc(C)c(O)c(C)c2)cc(C)c1O",
|
170 |
+
"output": "13.2(Log10uM)"
|
171 |
+
},
|
172 |
+
{
|
173 |
+
"instruction": "这个分子的CYP2D6酶的活性水平是多少?",
|
174 |
+
"input": "CSc1ccccc1CNc1ncc([N+](=O)[O-])c(NCC2CCC(CN)CC2)n1",
|
175 |
+
"output": "4.7(Log10uM)"
|
176 |
+
},
|
177 |
+
{
|
178 |
+
"instruction": "你能告诉我这个分子CYP2D6酶代谢率吗?",
|
179 |
+
"input": "CCc1ncnc2cc(OC)c(OCC(O)CNC(C)(C)Cc3cc4ccccc4[nH]3)cc12",
|
180 |
+
"output": "0.07(Log10uM)"
|
181 |
+
},
|
182 |
+
{
|
183 |
+
"instruction": "你能告诉我这个分子的CYP2D6酶代谢率吗?",
|
184 |
+
"input": "CC(=O)N(CC(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1)c1ccccc1",
|
185 |
+
"output": "0.3(Log10uM)"
|
186 |
+
},
|
187 |
+
{
|
188 |
+
"instruction": "请提供该分子的CYP2D6酶的活性水平。",
|
189 |
+
"input": "CC(C)N1CCC[C@H](Cn2cnc3ccc(-c4ccc(Cl)cc4)cc3c2=O)C1",
|
190 |
+
"output": "0.2(Log10uM)"
|
191 |
+
},
|
192 |
+
{
|
193 |
+
"instruction": "这个分子的CYP2D6酶代谢率是多少?",
|
194 |
+
"input": "CC(c1ccccn1)c1c(CCN(C)C)sc2ccccc12",
|
195 |
+
"output": "6.9(Log10uM)"
|
196 |
+
},
|
197 |
+
{
|
198 |
+
"instruction": "这个分子的CYP2D6酶代谢率是多少?",
|
199 |
+
"input": "Clc1cccc(OC(c2cccnc2)[C@@H]2CCCNC2)c1Cl",
|
200 |
+
"output": "2.4(Log10uM)"
|
201 |
+
},
|
202 |
+
{
|
203 |
+
"instruction": "这个分子的CYP2D6酶代谢水平是多少?",
|
204 |
+
"input": "CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N(CCCCN(Cc2ccccc2)C(=O)OCc2cncs2)Cc2ccccc2)C(C)C)cs1",
|
205 |
+
"output": "1.1(Log10uM)"
|
206 |
+
},
|
207 |
+
{
|
208 |
+
"instruction": "请提供该分子的CYP2D6酶的活性水平值。",
|
209 |
+
"input": "COC(=O)N1CC[C@H](N(Cc2ccccc2C(F)(F)F)c2ccc(C#N)c(Cl)c2)C1",
|
210 |
+
"output": "8.0(Log10uM)"
|
211 |
+
},
|
212 |
+
{
|
213 |
+
"instruction": "请提供该分子的CYP2D6酶代谢率值。",
|
214 |
+
"input": "CN1CC(C)(NC(=O)Nc2nc(C(C)(C)C)cs2)C(CN2CCC[C@@H](Cc3ccc(F)cc3)C2)OC1=O",
|
215 |
+
"output": "40.0(Log10uM)"
|
216 |
+
},
|
217 |
+
{
|
218 |
+
"instruction": "我想知道这个分子的CYP2D6酶的活性水平,你能提供吗?",
|
219 |
+
"input": "COc1ccc2[nH]c(SCC(C)C)nc2c1",
|
220 |
+
"output": "11.6(Log10uM)"
|
221 |
+
},
|
222 |
+
{
|
223 |
+
"instruction": "我对这个分子的CYP2D6酶代谢率很感兴趣,你能告诉我它是什么吗?",
|
224 |
+
"input": "CN[C@H]1Cc2ccccc2N(c2ccc(Cl)c(Cl)c2)C1",
|
225 |
+
"output": "0.1(Log10uM)"
|
226 |
+
},
|
227 |
+
{
|
228 |
+
"instruction": "这个分子的CYP2D6酶的活性水平是多少?",
|
229 |
+
"input": "CC(C)c1nc(C(=O)NC2CCN(CCF)CC2)c2ccccn12",
|
230 |
+
"output": "93.5(Log10uM)"
|
231 |
+
},
|
232 |
+
{
|
233 |
+
"instruction": "你能给我这个分子的CYP2D6酶代谢水平?",
|
234 |
+
"input": "CN(C)Cc1cc2c([nH]c(=O)c3cccc(O)c32)s1",
|
235 |
+
"output": "100.0(Log10uM)"
|
236 |
+
},
|
237 |
+
{
|
238 |
+
"instruction": "这个分子的CYP2D6酶代谢水平是多少?",
|
239 |
+
"input": "CC(C)(Cc1c[nH]c2ccccc12)NCC(O)COc1ccccc1C#N",
|
240 |
+
"output": "0.05(Log10uM)"
|
241 |
+
},
|
242 |
+
{
|
243 |
+
"instruction": "这个分子的CYP2D6酶代谢水平是多少?",
|
244 |
+
"input": "Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-n3cnnc3)cc2)cc1",
|
245 |
+
"output": "5.0(Log10uM)"
|
246 |
+
},
|
247 |
+
{
|
248 |
+
"instruction": "请提供该分子的CYP2D6酶代谢水平值。",
|
249 |
+
"input": "O=C(CNCC1(O)CCCCC1)N1CCc2ccccc2[C@@H]1C1CCCCC1",
|
250 |
+
"output": "0.6(Log10uM)"
|
251 |
+
},
|
252 |
+
{
|
253 |
+
"instruction": "你能给我这个分子的CYP2D6酶代谢率吗?",
|
254 |
+
"input": "CC(C)C[C@H](C[C@@H](O)N1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cccc(-c2nnnn2C)c1",
|
255 |
+
"output": "0.6(Log10uM)"
|
256 |
+
},
|
257 |
+
{
|
258 |
+
"instruction": "你能告诉我这个分子的CYP2D6酶代谢率值吗?",
|
259 |
+
"input": "COc1ncc(F)c(N2Cc3cn(-c4cccc(S(C)(=O)=O)c4)nc3[C@H]2C(C)C)n1",
|
260 |
+
"output": "12.71(Log10uM)"
|
261 |
+
},
|
262 |
+
{
|
263 |
+
"instruction": "我想知道这个分子的CYP2D6酶的活性水平,你能提供��?",
|
264 |
+
"input": "CC[C@H](N)C(=O)N[C@H](C#N)Cc1ccc(-c2ccccc2)cc1",
|
265 |
+
"output": "12.61(Log10uM)"
|
266 |
+
},
|
267 |
+
{
|
268 |
+
"instruction": "请提供该分子的CYP2D6酶代谢率。",
|
269 |
+
"input": "Oc1cccc(-c2ccc3c(-c4cccc(O)c4)c(O)ccc3c2)c1",
|
270 |
+
"output": "24.8(Log10uM)"
|
271 |
+
},
|
272 |
+
{
|
273 |
+
"instruction": "这个分子的CYP2D6酶代谢率是多少?",
|
274 |
+
"input": "COc1cnc2ccc(=O)n(CCN3CCC(c4nc5cc(C#N)c(C)cc5[nH]4)CC3)c2c1",
|
275 |
+
"output": "28.0(Log10uM)"
|
276 |
+
},
|
277 |
+
{
|
278 |
+
"instruction": "请提供该分子的CYP3A4酶的活性水平。",
|
279 |
+
"input": "O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCCC2CNC2)cc1F",
|
280 |
+
"output": "20.0(Log10uM)"
|
281 |
+
},
|
282 |
+
{
|
283 |
+
"instruction": "我想知道这个分子的CYP3A4酶代谢率,你能提供吗?",
|
284 |
+
"input": "NC(=O)[C@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](Nc4ncccc4C(F)(F)F)C1)C(C3)C2",
|
285 |
+
"output": "8.5(Log10uM)"
|
286 |
+
},
|
287 |
+
{
|
288 |
+
"instruction": "我想知道这个分子的CYP3A4酶代谢水平,你能提供吗?",
|
289 |
+
"input": "Cc1cccc(C)c1CNc1nc(N2CCNC2=O)cc2c(C)c(C)[nH]c12",
|
290 |
+
"output": "1.6(Log10uM)"
|
291 |
+
},
|
292 |
+
{
|
293 |
+
"instruction": "你能给我这个分子的CYP3A4酶的活性水平吗?",
|
294 |
+
"input": "O=C(NCC1CCOCC1)c1cnc(Nc2cc(Cl)ccc2F)nc1C(F)(F)F",
|
295 |
+
"output": "68.0(Log10uM)"
|
296 |
+
},
|
297 |
+
{
|
298 |
+
"instruction": "我想知道这个分子的CYP3A4酶代谢率,你能提供吗?",
|
299 |
+
"input": "O=C(O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3cc(F)c(F)cc32)cc1",
|
300 |
+
"output": "37.0(Log10uM)"
|
301 |
+
},
|
302 |
+
{
|
303 |
+
"instruction": "这个分子的CYP3A4酶代谢水平是多少?",
|
304 |
+
"input": "CNc1nc2ccccc2n1Cc1sc2c(c1C(=O)N1CCC1)c(=O)n(C)c(=O)n2CC(C)C",
|
305 |
+
"output": "1.0(Log10uM)"
|
306 |
+
},
|
307 |
+
{
|
308 |
+
"instruction": "我想知道这个分子的CYP3A4酶代谢水平,你能提供吗?",
|
309 |
+
"input": "O=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1",
|
310 |
+
"output": "10.0(Log10uM)"
|
311 |
+
},
|
312 |
+
{
|
313 |
+
"instruction": "请提供该分子的CYP3A4酶代谢率。",
|
314 |
+
"input": "Cn1c(-c2ccc(Cl)cn2)c(C2CCCC2)c2ccc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)O)cc4)CCCC3)cc21",
|
315 |
+
"output": "10.7(Log10uM)"
|
316 |
+
},
|
317 |
+
{
|
318 |
+
"instruction": "请提供该分子的CYP3A4酶代谢率值。",
|
319 |
+
"input": "COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(Br)c(-c2ccc(N=[N+]=[N-])cc2)[nH]1)C(C)C",
|
320 |
+
"output": "1.5(Log10uM)"
|
321 |
+
},
|
322 |
+
{
|
323 |
+
"instruction": "这个分子的CYP3A4酶的活性水平是多少?",
|
324 |
+
"input": "COc1ccccc1-c1ccc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nn12",
|
325 |
+
"output": "9.4(Log10uM)"
|
326 |
+
},
|
327 |
+
{
|
328 |
+
"instruction": "这个分子的CYP3A4酶代谢率是多少?",
|
329 |
+
"input": "COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@]23OC(=O)c2ccccc23)C2CC2)cc(OCCOC)c1",
|
330 |
+
"output": "7.2(Log10uM)"
|
331 |
+
},
|
332 |
+
{
|
333 |
+
"instruction": "你能告诉我这个分子的CYP3A4酶的活性水平值吗?",
|
334 |
+
"input": "Clc1ccc([C@@]23CCCC[C@@H]2CNC3)cc1Cl",
|
335 |
+
"output": "12.8(Log10uM)"
|
336 |
+
},
|
337 |
+
{
|
338 |
+
"instruction": "这个分子的CYP3A4酶代谢水平是多少?",
|
339 |
+
"input": "Cc1n[nH]c2ncc(-c3cc(OC[C@@H](N)Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)nc12",
|
340 |
+
"output": "0.4(Log10uM)"
|
341 |
+
},
|
342 |
+
{
|
343 |
+
"instruction": "你能告诉我这个分子的CYP3A4酶代谢水平吗?",
|
344 |
+
"input": "CC(C)(CC(O)(Cc1cc2cc(N3CCOCC3)ncc2[nH]1)C(F)(F)F)c1ccccc1S(C)(=O)=O",
|
345 |
+
"output": "0.01(Log10uM)"
|
346 |
+
},
|
347 |
+
{
|
348 |
+
"instruction": "这个分子的CYP3A4酶代谢率是多少?",
|
349 |
+
"input": "O=C(Nc1ccc(-c2nnc(NCCCCN3CCOCC3)o2)c(F)c1)c1ccccc1F",
|
350 |
+
"output": "64.0(Log10uM)"
|
351 |
+
},
|
352 |
+
{
|
353 |
+
"instruction": "请给我提供这个分子的CYP3A4酶代谢率值。",
|
354 |
+
"input": "CCNc1nc2ccc(C(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)OCc3cncs3)cc2o1",
|
355 |
+
"output": "0.03(Log10uM)"
|
356 |
+
},
|
357 |
+
{
|
358 |
+
"instruction": "请提供该分子的CYP3A4酶代谢水平值。",
|
359 |
+
"input": "CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2ccc(F)c(F)c2)c(Cl)c1",
|
360 |
+
"output": "20.0(Log10uM)"
|
361 |
+
},
|
362 |
+
{
|
363 |
+
"instruction": "这个分子的CYP3A4酶的活性水平是多少?",
|
364 |
+
"input": "Cc1nn(C2CCN(C(=O)[C@@H](C)O)CC2)c(C)c1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1",
|
365 |
+
"output": "21.0(Log10uM)"
|
366 |
+
},
|
367 |
+
{
|
368 |
+
"instruction": "你能给我这个分子的CYP3A4酶代谢水平?",
|
369 |
+
"input": "COCc1c(C(=O)NCc2ccncc2)cnn1-c1ncc(C)c(-c2cccs2)n1",
|
370 |
+
"output": "2.9(Log10uM)"
|
371 |
+
},
|
372 |
+
{
|
373 |
+
"instruction": "请提供该分子的CYP3A4酶代谢率。",
|
374 |
+
"input": "O=c1[nH]c2cc(-c3cccnc3)ccc2c2[nH]c(-c3ccccc3Cl)nc12",
|
375 |
+
"output": "24.0(Log10uM)"
|
376 |
+
},
|
377 |
+
{
|
378 |
+
"instruction": "你能告诉我这个分子的CYP3A4酶代谢率值吗?",
|
379 |
+
"input": "Cc1c(NC(=O)OC[C@@H]2COCCN2)cn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12",
|
380 |
+
"output": "1.6(Log10uM)"
|
381 |
+
},
|
382 |
+
{
|
383 |
+
"instruction": "请提供该分子的CYP3A4酶代谢率值。",
|
384 |
+
"input": "C[C@@H](c1ccc(-c2ccc(F)cc2F)cc1)N1CC[C@](CCCNC(N)=O)(c2ccc(F)cc2)OC1=O",
|
385 |
+
"output": "4.0(Log10uM)"
|
386 |
+
},
|
387 |
+
{
|
388 |
+
"instruction": "我对这个分子的CYP3A4酶代谢率很感兴趣,你能告诉我它是什么吗?",
|
389 |
+
"input": "COc1cnc(-c2ccc(CCNc3nc4cc(Cl)ccc4c(=O)n3C)cc2)nc1",
|
390 |
+
"output": "8.7(Log10uM)"
|
391 |
+
},
|
392 |
+
{
|
393 |
+
"instruction": "这个分子的CYP3A4酶的活性水平是多少?",
|
394 |
+
"input": "Fc1ccc(-c2ccc3c(c2)CCC3c2cccnc2)cc1",
|
395 |
+
"output": "1.7(Log10uM)"
|
396 |
+
},
|
397 |
+
{
|
398 |
+
"instruction": "这个分子的CYP3A4酶代谢率是多少?",
|
399 |
+
"input": "COc1ccc2[nH]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1",
|
400 |
+
"output": "77.98(Log10uM)"
|
401 |
+
},
|
402 |
+
{
|
403 |
+
"instruction": "请提供该分子的CYP3A4酶代谢水平。",
|
404 |
+
"input": "CC[C@@H](CS(=O)(=O)C(C)(C)C)N1C(=O)[C@@](C)(Cc2noc(=O)[nH]2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1",
|
405 |
+
"output": "1.2(Log10uM)"
|
406 |
+
},
|
407 |
+
{
|
408 |
+
"instruction": "请提供该分子的CYP3A4酶的活性水平值。",
|
409 |
+
"input": "CCOC(=O)c1cccc(NC(=O)Nc2ccc(-c3ccnc4[nH]cnc34)cc2)c1",
|
410 |
+
"output": "0.04(Log10uM)"
|
411 |
+
},
|
412 |
+
{
|
413 |
+
"instruction": "这个分子的CYP3A4酶代谢率是多少?",
|
414 |
+
"input": "Cc1cc(C(=O)N(C)C)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12",
|
415 |
+
"output": "2.2(Log10uM)"
|
416 |
+
},
|
417 |
+
{
|
418 |
+
"instruction": "这个分子的CYP3A4酶代谢率是多少?",
|
419 |
+
"input": "CCCc1ccc(C(=O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1",
|
420 |
+
"output": "7.9(Log10uM)"
|
421 |
+
},
|
422 |
+
{
|
423 |
+
"instruction": "这个分子的CYP3A4酶的活性水平是多少?",
|
424 |
+
"input": "COc1ccc(S(=O)(=O)N2CCC(=CC#Cc3cccc(C)n3)CC2)cc1",
|
425 |
+
"output": "1.9(Log10uM)"
|
426 |
+
},
|
427 |
+
{
|
428 |
+
"instruction": "你能给我这个分子的CYP3A4酶代谢率吗?",
|
429 |
+
"input": "O=C([C@H]1CNCC[C@@]12OCc1cc(F)c(F)cc12)N(Cc1cccc2cccnc12)C1CC1",
|
430 |
+
"output": "8.9(Log10uM)"
|
431 |
+
},
|
432 |
+
{
|
433 |
+
"instruction": "请提供该分子的CYP3A4酶的活性水平。",
|
434 |
+
"input": "COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C",
|
435 |
+
"output": "0.39(Log10uM)"
|
436 |
+
},
|
437 |
+
{
|
438 |
+
"instruction": "我想知道这个分子的CYP3A4酶的活性水平,你能提供吗?",
|
439 |
+
"input": "Cn1c(=O)n(-c2cc(-c3ccc(F)cc3F)nc3[nH]ccc23)c2ccncc21",
|
440 |
+
"output": "3.98(Log10uM)"
|
441 |
+
},
|
442 |
+
{
|
443 |
+
"instruction": "请提供该分子的CYP3A4酶的活性水平值。",
|
444 |
+
"input": "CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cncnc4)cc23)c1F",
|
445 |
+
"output": "5.0(Log10uM)"
|
446 |
+
},
|
447 |
+
{
|
448 |
+
"instruction": "你能告诉我这个分子的CYP3A4酶代谢水平吗?",
|
449 |
+
"input": "COc1ccc2[nH]c(SCc3ccc(C(C)C)cc3)nc2c1",
|
450 |
+
"output": "8.34(Log10uM)"
|
451 |
+
},
|
452 |
+
{
|
453 |
+
"instruction": "请提供该分子的CYP3A4酶的活性水平。",
|
454 |
+
"input": "CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCNC(C)=O)CCC2",
|
455 |
+
"output": "8.0(Log10uM)"
|
456 |
+
},
|
457 |
+
{
|
458 |
+
"instruction": "这个分子的CYP3A4酶代谢水平是多少?",
|
459 |
+
"input": "O=C(C(O)c1ccc(Br)cc1)N1CCC(Nc2ccc3[nH]ncc3c2)CC1",
|
460 |
+
"output": "3.5(Log10uM)"
|
461 |
+
},
|
462 |
+
{
|
463 |
+
"instruction": "这个分子的CYP3A4酶代谢水平是多少?",
|
464 |
+
"input": "O=c1[nH]c2cc(/C=C3\\c4ccccc4COc4cc(F)ccc43)ccc2n1[C@@H]1C[C@@H]2COCCN2C1",
|
465 |
+
"output": "5.81(Log10uM)"
|
466 |
+
},
|
467 |
+
{
|
468 |
+
"instruction": "请提供该分子的CYP3A4酶代谢率。",
|
469 |
+
"input": "[2H]C([2H])(N[C@H]1C[S@+]([O-])C[C@@H](Cc2cc(F)c(N)c(O[C@H](COC)C(F)(F)F)c2)[C@@H]1O)c1cccc(C(C)(C)C)c1",
|
470 |
+
"output": "0.1(Log10uM)"
|
471 |
+
},
|
472 |
+
{
|
473 |
+
"instruction": "这个分子的CYP3A4酶代谢率是多少?",
|
474 |
+
"input": "CN(C)CCCOc1cccc(CNC(=O)c2ccc(-c3ccncc3)cc2)c1",
|
475 |
+
"output": "2.0(Log10uM)"
|
476 |
+
},
|
477 |
+
{
|
478 |
+
"instruction": "请提供该分子的CYP3A4酶的活性水平。",
|
479 |
+
"input": "C[C@@H]1CN(Cc2ccc(-c3ccccc3C(=O)N3CCC(C(=O)c4ccc(F)cc4)CC3)cc2)C[C@H](C)N1",
|
480 |
+
"output": "4.2(Log10uM)"
|
481 |
+
},
|
482 |
+
{
|
483 |
+
"instruction": "请提供该分子的CYP3A4酶的活性水平。",
|
484 |
+
"input": "CC1(C)CN(C(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c2ccccc21",
|
485 |
+
"output": "40.0(Log10uM)"
|
486 |
+
},
|
487 |
+
{
|
488 |
+
"instruction": "你能给我这个分子的CYP3A4酶代谢水平吗?",
|
489 |
+
"input": "CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(Nc3cc(C)n(C)n3)nc21",
|
490 |
+
"output": "3.0(Log10uM)"
|
491 |
+
},
|
492 |
+
{
|
493 |
+
"instruction": "请提供该分子的CYP3A4酶代谢水平值。",
|
494 |
+
"input": "N[C@@H](Cc1ccccc1)C(=O)N1CCC(Nc2ccc3[nH]ncc3c2)CC1",
|
495 |
+
"output": "1.0(Log10uM)"
|
496 |
+
},
|
497 |
+
{
|
498 |
+
"instruction": "这个分子的CYP3A4酶代谢水平是多少?",
|
499 |
+
"input": "Cc1cc(N2CCC(N3CCOCC3)CC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12",
|
500 |
+
"output": "1.7(Log10uM)"
|
501 |
+
},
|
502 |
+
{
|
503 |
+
"instruction": "请提供该分子的CYP3A4酶的活性水平。",
|
504 |
+
"input": "Cc1cc2c(cc1C(F)(F)F)NC(=O)CC(c1cccc(-c3cccnc3)c1)=N2",
|
505 |
+
"output": "1.8(Log10uM)"
|
506 |
+
},
|
507 |
+
{
|
508 |
+
"instruction": "这个分子的CYP3A4酶代谢水平是多少?",
|
509 |
+
"input": "CCCN(C)C(=O)CN1Cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2C1=O",
|
510 |
+
"output": "5.5(Log10uM)"
|
511 |
+
},
|
512 |
+
{
|
513 |
+
"instruction": "请提供该分子的CYP3A4酶代谢水平。",
|
514 |
+
"input": "O=C(Nc1ccn(-c2cn(Cc3cccc(C(F)(F)F)c3)cn2)c(=O)c1)c1cscn1",
|
515 |
+
"output": "1.9(Log10uM)"
|
516 |
+
},
|
517 |
+
{
|
518 |
+
"instruction": "请给我这个分子的CYP3A4酶代谢率。",
|
519 |
+
"input": "CN1CCN(C(=O)[C@@H](COCc2ccc3c(c2)OCCO3)NC(=O)c2cccnc2Oc2ccc(C(F)(F)F)cc2Cl)CC1",
|
520 |
+
"output": "3.3(Log10uM)"
|
521 |
+
},
|
522 |
+
{
|
523 |
+
"instruction": "请提供该分子的CYP3A4酶代谢水平值。",
|
524 |
+
"input": "Cc1cc(N2CCN(C)CC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12",
|
525 |
+
"output": "3.5(Log10uM)"
|
526 |
+
},
|
527 |
+
{
|
528 |
+
"instruction": "请给我提供这个分子的CYP3A4酶代谢率。",
|
529 |
+
"input": "Cc1cc(N2CCNCC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12",
|
530 |
+
"output": "3.0(Log10uM)"
|
531 |
+
},
|
532 |
+
{
|
533 |
+
"instruction": "我对这个分子的CYP3A4酶的活性水平很感兴趣,你能告诉我它是多少吗?",
|
534 |
+
"input": "CC(C)C(O)(c1ccc2cc(-c3cccs3)ccc2c1)c1c[nH]nn1",
|
535 |
+
"output": "81.0(Log10uM)"
|
536 |
+
},
|
537 |
+
{
|
538 |
+
"instruction": "我对这个分子的CYP3A4酶代谢水平很感兴趣,你能告诉我它是什么吗?",
|
539 |
+
"input": "CC[C@@H]1CCC[C@H](C2(CC(N)=O)CC2)N1S(=O)(=O)c1ccc(Cl)cc1",
|
540 |
+
"output": "11.5(Log10uM)"
|
541 |
+
},
|
542 |
+
{
|
543 |
+
"instruction": "我想知道这个分子的PPB,你能提供吗?",
|
544 |
+
"input": "CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)CC(=O)N3)CC1)c1ccc(Cl)cc1",
|
545 |
+
"output": "0.5"
|
546 |
+
},
|
547 |
+
{
|
548 |
+
"instruction": "我需要知道这个分子的血浆蛋白结合率,你能提供吗?",
|
549 |
+
"input": "Cn1nncc1-c1cnn([C@H](CC2CC2)c2ccc(-c3c(-n4cnnn4)ccc(Cl)c3F)c[n+]2[O-])c1",
|
550 |
+
"output": "0.8"
|
551 |
+
},
|
552 |
+
{
|
553 |
+
"instruction": "这个分子的PPB结合水平是多少?",
|
554 |
+
"input": "Nc1cc(F)c(S(=O)(=O)N2CCC(O)CC2)cc1C(=O)Nc1ccc(F)c(F)c1",
|
555 |
+
"output": "1.0"
|
556 |
+
},
|
557 |
+
{
|
558 |
+
"instruction": "请提供该分子的血浆蛋白结合率。",
|
559 |
+
"input": "O=C(Nc1cc(-n2cnc3ccccc32)ccn1)C1CC1",
|
560 |
+
"output": "0.9"
|
561 |
+
},
|
562 |
+
{
|
563 |
+
"instruction": "你能给我这个分子的PPB?",
|
564 |
+
"input": "C[C@@H]1O[C@@H](NC(=O)c2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O",
|
565 |
+
"output": "0.8"
|
566 |
+
},
|
567 |
+
{
|
568 |
+
"instruction": "这个分子的血浆蛋白结合率是多少?",
|
569 |
+
"input": "CC(C)(O)c1cccn2c(C3(c4ccc(Cl)cc4)CC3)nnc12",
|
570 |
+
"output": "0.8"
|
571 |
+
},
|
572 |
+
{
|
573 |
+
"instruction": "你能给我这个分子的PPB结合水平?",
|
574 |
+
"input": "Cc1cc(Nc2ccc(S(F)(F)(F)(F)F)cc2)n2nc(C(F)(F)F)nc2n1",
|
575 |
+
"output": "1.0"
|
576 |
+
},
|
577 |
+
{
|
578 |
+
"instruction": "你能告诉我这个分子PPB吗?",
|
579 |
+
"input": "C[C@H](O)c1nccn1Cc1cc(-c2ccc(C#CC34CC(N)(C3)C4)cc2)on1",
|
580 |
+
"output": "1.0"
|
581 |
+
},
|
582 |
+
{
|
583 |
+
"instruction": "我想知道这个分子的PPB结合水平,你能提供吗?",
|
584 |
+
"input": "CN(C)c1noc(-c2cccc(CNc3ccc4[nH]nc(C(=O)O)c4c3)c2Cl)n1",
|
585 |
+
"output": "1.0"
|
586 |
+
},
|
587 |
+
{
|
588 |
+
"instruction": "请提供该分子的血浆蛋白结合率值。",
|
589 |
+
"input": "COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CC(C)(F)F)CC2)c2ccccc12",
|
590 |
+
"output": "0.9"
|
591 |
+
},
|
592 |
+
{
|
593 |
+
"instruction": "你能告诉我这个分子的PPB值吗?",
|
594 |
+
"input": "C=CCOc1ccc(C2CC(=O)Nc3nc(N)[nH]c(=O)c32)cc1OC",
|
595 |
+
"output": "0.7"
|
596 |
+
},
|
597 |
+
{
|
598 |
+
"instruction": "这个分子的PPB结合水平是多少?",
|
599 |
+
"input": "Cc1ccc(C(=O)N[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc1",
|
600 |
+
"output": "0.3"
|
601 |
+
},
|
602 |
+
{
|
603 |
+
"instruction": "我想知道这个分子的PPB结合水平,你能提供吗?",
|
604 |
+
"input": "Cc1cn2nc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cc2c(C)n1",
|
605 |
+
"output": "0.8"
|
606 |
+
},
|
607 |
+
{
|
608 |
+
"instruction": "我想知道这个分子的PPB,你能提供吗?",
|
609 |
+
"input": "O=C(O)c1c(F)ccc2c1OB(O)[C@@H]1C[C@H]21",
|
610 |
+
"output": "1.0"
|
611 |
+
},
|
612 |
+
{
|
613 |
+
"instruction": "我对这个分子的PPB结合水平很感兴趣,你能告诉我它是什么吗?",
|
614 |
+
"input": "C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1O",
|
615 |
+
"output": "0.9"
|
616 |
+
},
|
617 |
+
{
|
618 |
+
"instruction": "你能告诉我这个分子的PPB值吗?",
|
619 |
+
"input": "Cc1nnc2n1-c1ccccc1N(c1ccc(Cl)cc1)CC2",
|
620 |
+
"output": "0.9"
|
621 |
+
},
|
622 |
+
{
|
623 |
+
"instruction": "你能告诉我这个分子的PPB吗?",
|
624 |
+
"input": "CCP(=O)(O)c1ccc2oc(-c3cccc(C(F)(F)F)c3)nc2c1",
|
625 |
+
"output": "1.0"
|
626 |
+
},
|
627 |
+
{
|
628 |
+
"instruction": "这个分子的血浆蛋白结合率是多少?",
|
629 |
+
"input": "Cc1nnc2n1-c1ccccc1N(c1ccc(Cl)cc1)CC2C",
|
630 |
+
"output": "1.0"
|
631 |
+
},
|
632 |
+
{
|
633 |
+
"instruction": "请提供该分子的PPB结合水平值。",
|
634 |
+
"input": "Cc1nc2c(-c3ccc(S(C)(=O)=O)cc3)cnn2c(NCc2ccccn2)c1C",
|
635 |
+
"output": "1.0"
|
636 |
+
},
|
637 |
+
{
|
638 |
+
"instruction": "我想知道这个分子的PPB结合水平,你能提供吗?",
|
639 |
+
"input": "Nc1nc2c(c(=O)[nH]1)C(c1cccc(OC(F)(F)F)c1)CC(=O)N2",
|
640 |
+
"output": "0.9"
|
641 |
+
},
|
642 |
+
{
|
643 |
+
"instruction": "我需要知道这个分子的PPB,你能提供吗?",
|
644 |
+
"input": "O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(c2ccc3nncn3n2)CC1",
|
645 |
+
"output": "1.0"
|
646 |
+
},
|
647 |
+
{
|
648 |
+
"instruction": "这个分子的PPB结合水平是多少?",
|
649 |
+
"input": "COc1ncc(-c2ccc3ncc(Cl)c(=O)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F",
|
650 |
+
"output": "1.0"
|
651 |
+
},
|
652 |
+
{
|
653 |
+
"instruction": "这个分子的血浆蛋白结合率是多少?",
|
654 |
+
"input": "O=C(Nc1ccc2nc(S)sc2c1)c1ccc(OC(F)F)c(OCC2CC2)c1",
|
655 |
+
"output": "0.5"
|
656 |
+
},
|
657 |
+
{
|
658 |
+
"instruction": "请提供该分子的PPB值。",
|
659 |
+
"input": "COc1cc(OCc2csc(-c3ccc(C(=O)N(C)C)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1",
|
660 |
+
"output": "1.0"
|
661 |
+
},
|
662 |
+
{
|
663 |
+
"instruction": "这个分子的PPB是多少?",
|
664 |
+
"input": "NS(=O)(=O)N1CCC(C(=O)/C(=N/O)Nc2ccc(F)c(Br)c2)CC1",
|
665 |
+
"output": "1.0"
|
666 |
+
},
|
667 |
+
{
|
668 |
+
"instruction": "我对这个分子的PPB结合水平很感兴趣,你能告诉我它是什么吗?",
|
669 |
+
"input": "CC1(CN2CC[C@H](NC(=O)c3cc(-c4ccc(F)cc4F)on3)[C@@H](C(=O)NC3(c4ncccn4)CC3)C2)CC1",
|
670 |
+
"output": "1.0"
|
671 |
+
},
|
672 |
+
{
|
673 |
+
"instruction": "我需要知道这个分子的血浆蛋白结合率,你能提供吗?",
|
674 |
+
"input": "Cn1cnc2ncn(Cc3nn(C[C@H](F)c4ccc(Cl)cc4)c(=O)o3)c(=O)c21",
|
675 |
+
"output": "0.7"
|
676 |
+
},
|
677 |
+
{
|
678 |
+
"instruction": "请提供该分子的血浆蛋白结合率值。",
|
679 |
+
"input": "CCP(=O)(OC)c1ccc2nc(-c3ccc4ccccc4c3)oc2c1",
|
680 |
+
"output": "1.0"
|
681 |
+
},
|
682 |
+
{
|
683 |
+
"instruction": "请给我这个分子的PPB结合水平。",
|
684 |
+
"input": "COc1cc2ccc(Br)cc2cc1[C@@H](c1ccnc(OC)c1OC)[C@@](O)(CCN(C)C)c1ccnc2c1OCCO2",
|
685 |
+
"output": "1.0"
|
686 |
+
},
|
687 |
+
{
|
688 |
+
"instruction": "请提供该分子的血浆蛋白结合率。",
|
689 |
+
"input": "C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC(=S)N(C)C)[C@H](C)[C@H]12",
|
690 |
+
"output": "0.9"
|
691 |
+
},
|
692 |
+
{
|
693 |
+
"instruction": "你能给我这个分子的血浆蛋白结合率吗?",
|
694 |
+
"input": "O=C(NCCc1csc(-c2ccccc2)n1)N1CCCC1",
|
695 |
+
"output": "0.9"
|
696 |
+
},
|
697 |
+
{
|
698 |
+
"instruction": "这个分子的PPB是多少?",
|
699 |
+
"input": "CCN1CCN(c2ncc(-c3ccc4c(Nc5cnccn5)ccnc4c3)cn2)CC1",
|
700 |
+
"output": "0.9"
|
701 |
+
},
|
702 |
+
{
|
703 |
+
"instruction": "我想知道这个分子的PPB结合水平,你能提供吗?",
|
704 |
+
"input": "Nc1cccnc1Nc1ncnc2ccc(-c3cccc(N4CCOCC4)c3)cc12",
|
705 |
+
"output": "0.9"
|
706 |
+
},
|
707 |
+
{
|
708 |
+
"instruction": "这个分子的PPB是多少?",
|
709 |
+
"input": "O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cccc(-c2ccccc2)c1",
|
710 |
+
"output": "1.0"
|
711 |
+
},
|
712 |
+
{
|
713 |
+
"instruction": "请提供该分子的PPB结合水平。",
|
714 |
+
"input": "Cc1cc(C)n(-c2cccc([C@H](CC(=O)O)CN3CC[C@@H](CCc4ccc5c(n4)NCCC5)C3)c2)n1",
|
715 |
+
"output": "0.9"
|
716 |
+
},
|
717 |
+
{
|
718 |
+
"instruction": "我想知道这个分子的血浆蛋白结合率,你能提供吗?",
|
719 |
+
"input": "Nc1nc(OCc2ccccc2)c2[nH]nnc2n1",
|
720 |
+
"output": "1.0"
|
721 |
+
},
|
722 |
+
{
|
723 |
+
"instruction": "请提供该分子的PPB。",
|
724 |
+
"input": "COC(=O)c1cccn1-c1ccc(CNc2nccc(C)c2NC(=O)CC#N)cc1",
|
725 |
+
"output": "0.8"
|
726 |
+
},
|
727 |
+
{
|
728 |
+
"instruction": "我对这个分子的血浆蛋白结合率很感兴趣,你能告诉我它是什么吗?",
|
729 |
+
"input": "O=C(Nc1cccnc1)c1ccc(CNS(=O)(=O)c2ccc(N3CCOCC3)cc2)cc1",
|
730 |
+
"output": "0.8"
|
731 |
+
},
|
732 |
+
{
|
733 |
+
"instruction": "这个分子的logD是多少?",
|
734 |
+
"input": "O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O",
|
735 |
+
"output": "1.22"
|
736 |
+
},
|
737 |
+
{
|
738 |
+
"instruction": "请给我这个分子的亲脂性。",
|
739 |
+
"input": "O=c1oc2c(O)cccc2cc1-c1ccc(O)cc1",
|
740 |
+
"output": "2.8"
|
741 |
+
},
|
742 |
+
{
|
743 |
+
"instruction": "请提供该分子的亲脂性。",
|
744 |
+
"input": "O=c1cc(-c2ccccc2)oc2ccc(O)cc12",
|
745 |
+
"output": "3.6"
|
746 |
+
},
|
747 |
+
{
|
748 |
+
"instruction": "这个分子的logD是多少?",
|
749 |
+
"input": "O=c1c(-c2ccc(O)c(O)c2)coc2cc(O)ccc12",
|
750 |
+
"output": "1.88"
|
751 |
+
},
|
752 |
+
{
|
753 |
+
"instruction": "我想知道这个分子的亲脂水平,你能提供吗?",
|
754 |
+
"input": "O=c1[nH]n(C(c2ccccc2)c2ccncc2)c(=O)c2c(O)c3ccc(Cl)cc3nc12",
|
755 |
+
"output": "1.1"
|
756 |
+
},
|
757 |
+
{
|
758 |
+
"instruction": "请提供该分子的logD。",
|
759 |
+
"input": "O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4c(Cl)cccc4Cl)c3)c2s1",
|
760 |
+
"output": "3.15"
|
761 |
+
},
|
762 |
+
{
|
763 |
+
"instruction": "我想知道这个分子的亲脂性,你能提供吗?",
|
764 |
+
"input": "O=C1CN(C(=O)c2ccco2)C(c2ccccc2)c2cc(Cl)ccc2N1",
|
765 |
+
"output": "3.0"
|
766 |
+
},
|
767 |
+
{
|
768 |
+
"instruction": "这个分子的亲脂水平是多少?",
|
769 |
+
"input": "O=C1CCC(=O)N1C(CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1",
|
770 |
+
"output": "3.88"
|
771 |
+
},
|
772 |
+
{
|
773 |
+
"instruction": "这个分子的亲脂水平是多少?",
|
774 |
+
"input": "O=C(c1ccc(F)cc1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1",
|
775 |
+
"output": "3.73"
|
776 |
+
},
|
777 |
+
{
|
778 |
+
"instruction": "这个分子的亲脂性是多少?",
|
779 |
+
"input": "O=C(O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12",
|
780 |
+
"output": "0.0"
|
781 |
+
},
|
782 |
+
{
|
783 |
+
"instruction": "我需要知道这个分子的亲脂水平,你能提供吗?",
|
784 |
+
"input": "O=C(Nc1nnc(C(=O)Nc2ccc(N3CCOCC3)cc2)o1)c1ccccc1",
|
785 |
+
"output": "1.02"
|
786 |
+
},
|
787 |
+
{
|
788 |
+
"instruction": "这个分子的亲脂水平是多少?",
|
789 |
+
"input": "O=C(Nc1ccc(Cl)nc1)c1ccc(F)c(Cl)c1",
|
790 |
+
"output": "3.64"
|
791 |
+
},
|
792 |
+
{
|
793 |
+
"instruction": "请提供该分子的logD。",
|
794 |
+
"input": "O=C(NCc1ccncn1)c1ccc(Oc2ccc(C#C[C@]3(O)CN4CCC3CC4)cc2)cc1",
|
795 |
+
"output": "1.77"
|
796 |
+
},
|
797 |
+
{
|
798 |
+
"instruction": "我对这个分子的logD很感兴趣,你能告诉我它是什么吗?",
|
799 |
+
"input": "Nc1scc2c(C(=O)NC3CC3)nn(-c3ccc(F)cc3)c(=O)c12",
|
800 |
+
"output": "2.8"
|
801 |
+
},
|
802 |
+
{
|
803 |
+
"instruction": "我想知道这个分子的亲脂水平,你能提供吗?",
|
804 |
+
"input": "Nc1nc(SCc2ccccc2)nc2c1ncn2[C@H]1O[C@H](CO)[C@H](O)[C@@H]1O",
|
805 |
+
"output": "1.24"
|
806 |
+
},
|
807 |
+
{
|
808 |
+
"instruction": "你能给我这个分子的亲脂水平吗?",
|
809 |
+
"input": "Nc1nc(O)c2ncn(COCCO)c2n1",
|
810 |
+
"output": "-1.42"
|
811 |
+
},
|
812 |
+
{
|
813 |
+
"instruction": "请提供该分子的亲脂水平。",
|
814 |
+
"input": "Nc1ccccc1NC(=O)c1ccccn1",
|
815 |
+
"output": "1.0"
|
816 |
+
},
|
817 |
+
{
|
818 |
+
"instruction": "请提供该分子的亲脂性。",
|
819 |
+
"input": "Nc1ccccc1NC(=O)c1ccc(N2CCOCC2)cc1",
|
820 |
+
"output": "1.2"
|
821 |
+
},
|
822 |
+
{
|
823 |
+
"instruction": "这个分子的亲脂水平是多少?",
|
824 |
+
"input": "Nc1cccc2c1C(=O)N(Cc1cccc(Cl)c1)C2=O",
|
825 |
+
"output": "3.18"
|
826 |
+
},
|
827 |
+
{
|
828 |
+
"instruction": "你能给我这个分子的logD吗?",
|
829 |
+
"input": "Nc1cc(N2CCCCC2)nc(N)[n+]1[O-]",
|
830 |
+
"output": "0.77"
|
831 |
+
},
|
832 |
+
{
|
833 |
+
"instruction": "请给我提供这个分子的亲脂水平值。",
|
834 |
+
"input": "Nc1c2c(nc3ccccc13)CCCC2",
|
835 |
+
"output": "0.38"
|
836 |
+
},
|
837 |
+
{
|
838 |
+
"instruction": "请给我这个分子的logD。",
|
839 |
+
"input": "NCC(O)(c1ccccc1)c1ccccc1",
|
840 |
+
"output": "0.9"
|
841 |
+
},
|
842 |
+
{
|
843 |
+
"instruction": "这个分子的logD是多少?",
|
844 |
+
"input": "NC1(c2ccc(-c3nc4ccccn4c3-c3ccccc3)cc2)CCC1",
|
845 |
+
"output": "2.8"
|
846 |
+
},
|
847 |
+
{
|
848 |
+
"instruction": "我需要知道这个分子的logD,你能提供吗?",
|
849 |
+
"input": "NC(=O)c1cnc2[nH]c(-c3ccc(OCCN4CCCCC4)cc3)nc2c1NCCCNC(=O)C1CCC1",
|
850 |
+
"output": "2.48"
|
851 |
+
},
|
852 |
+
{
|
853 |
+
"instruction": "我想知道这个分子的亲脂性,你能提供吗?",
|
854 |
+
"input": "NC(=O)c1ccc(Br)cc1",
|
855 |
+
"output": "1.75"
|
856 |
+
},
|
857 |
+
{
|
858 |
+
"instruction": "这个分子的亲脂水平是多少?",
|
859 |
+
"input": "NC(=O)Nc1sc(-c2ccsc2)cc1C(=O)N[C@H]1CCCNC1",
|
860 |
+
"output": "1.06"
|
861 |
+
},
|
862 |
+
{
|
863 |
+
"instruction": "我想知道这个分子的亲脂水平,你能提供吗?",
|
864 |
+
"input": "N=C(N)NC(=O)c1nc(Cl)c(NCc2ccncc2)nc1N",
|
865 |
+
"output": "-0.51"
|
866 |
+
},
|
867 |
+
{
|
868 |
+
"instruction": "请给我提供这个分子的亲脂性。",
|
869 |
+
"input": "N#Cc1ccccc1Oc1ccc(C(=O)NCc2ccncc2)cc1",
|
870 |
+
"output": "2.57"
|
871 |
+
},
|
872 |
+
{
|
873 |
+
"instruction": "请提供该分子的亲脂水平。",
|
874 |
+
"input": "N#Cc1ccc(OC2CCN(C[C@@H](O)CNC(=O)c3c[nH]c(=O)c4ccccc34)CC2)cc1Cl",
|
875 |
+
"output": "2.56"
|
876 |
+
},
|
877 |
+
{
|
878 |
+
"instruction": "请提供该分子的亲脂性。",
|
879 |
+
"input": "N#Cc1c(-c2ccc(-c3ccccc3C(F)(F)F)cc2)nc2ccncc2c1O",
|
880 |
+
"output": "3.3"
|
881 |
+
},
|
882 |
+
{
|
883 |
+
"instruction": "你能告诉我这个分子logD吗?",
|
884 |
+
"input": "Fc1ccc(C2CCN(C(=S)COCc3ccncc3)CC2)c(Cl)c1",
|
885 |
+
"output": "4.23"
|
886 |
+
},
|
887 |
+
{
|
888 |
+
"instruction": "我需要知道这个分子的logD,你能提供吗?",
|
889 |
+
"input": "FC(F)(F)c1cc(COCC(c2cccc(Cl)c2)N2CCNCC2)cc(C(F)(F)F)c1",
|
890 |
+
"output": "4.2"
|
891 |
+
},
|
892 |
+
{
|
893 |
+
"instruction": "我想知道这个分子的亲脂性,你能提供吗?",
|
894 |
+
"input": "Cn1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21",
|
895 |
+
"output": "3.8"
|
896 |
+
},
|
897 |
+
{
|
898 |
+
"instruction": "请给我这个分子的logD。",
|
899 |
+
"input": "Clc1ccc([C@@H]2CC=CCNC2)cc1Cl",
|
900 |
+
"output": "1.95"
|
901 |
+
},
|
902 |
+
{
|
903 |
+
"instruction": "请提供该分子的亲脂水平。",
|
904 |
+
"input": "Cc1oc2cc(O)ccc2c(=O)c1-c1ccccc1",
|
905 |
+
"output": "2.95"
|
906 |
+
},
|
907 |
+
{
|
908 |
+
"instruction": "你能给我这个分子的亲脂性?",
|
909 |
+
"input": "Cc1ncc(-c2nc(Nc3ccc(C(=O)N4CCCN(C)CC4)cc3)ncc2F)n1C(C)C",
|
910 |
+
"output": "2.02"
|
911 |
+
},
|
912 |
+
{
|
913 |
+
"instruction": "这个分子的亲脂性是多少?",
|
914 |
+
"input": "Cc1ncc(-c2ccnc(Nc3ccc(N4CCN(C(=O)[C@@H](C)O)CC4)cc3)n2)n1C(C)C",
|
915 |
+
"output": "2.15"
|
916 |
+
},
|
917 |
+
{
|
918 |
+
"instruction": "请提供该分子的亲脂性。",
|
919 |
+
"input": "Cc1ncc(-c2ccnc(Nc3ccc(C(N)=O)c(F)c3)n2)n1C(C)C",
|
920 |
+
"output": "2.8"
|
921 |
+
},
|
922 |
+
{
|
923 |
+
"instruction": "我对这个分子的亲脂水平很感兴趣,你能告诉我它是多少吗?",
|
924 |
+
"input": "Cc1nc(NC(=N)N)nc2ccccc12",
|
925 |
+
"output": "-0.49"
|
926 |
+
},
|
927 |
+
{
|
928 |
+
"instruction": "请提供该分子的亲脂性。",
|
929 |
+
"input": "Cc1cccc(-c2nc3cc(Cl)ccc3[nH]2)n1",
|
930 |
+
"output": "4.1"
|
931 |
+
},
|
932 |
+
{
|
933 |
+
"instruction": "请给我提供这个分子的logD值。",
|
934 |
+
"input": "Cc1ccc(Sc2ccccc2CN(C)C)c(N)c1",
|
935 |
+
"output": "2.6"
|
936 |
+
},
|
937 |
+
{
|
938 |
+
"instruction": "请提供该分子的亲脂水平。",
|
939 |
+
"input": "Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O",
|
940 |
+
"output": "3.3"
|
941 |
+
},
|
942 |
+
{
|
943 |
+
"instruction": "我需要知道这个分子的亲脂性,你能提供吗?",
|
944 |
+
"input": "Cc1ccc(NC(=O)c2cscn2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O",
|
945 |
+
"output": "2.06"
|
946 |
+
},
|
947 |
+
{
|
948 |
+
"instruction": "请提供该分子的logD。",
|
949 |
+
"input": "Cc1ccc(NC(=O)c2ccoc2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O",
|
950 |
+
"output": "2.43"
|
951 |
+
},
|
952 |
+
{
|
953 |
+
"instruction": "请给我这个分子的亲脂性。",
|
954 |
+
"input": "Cc1ccc(C(=O)Oc2ccc(C(O)CNC(C)(C)C)cc2OC(=O)c2ccc(C)cc2)cc1",
|
955 |
+
"output": "3.57"
|
956 |
+
},
|
957 |
+
{
|
958 |
+
"instruction": "你能告诉我这个分子的logD吗?",
|
959 |
+
"input": "Cc1cc2[nH]c(=O)c(O)cc(=O)c2cc1C",
|
960 |
+
"output": "1.99"
|
961 |
+
},
|
962 |
+
{
|
963 |
+
"instruction": "这个分子的logD是多少?",
|
964 |
+
"input": "Cc1cc(N)nc(CCNC(=O)c2ccc(C#N)cc2)c1",
|
965 |
+
"output": "1.62"
|
966 |
+
},
|
967 |
+
{
|
968 |
+
"instruction": "你能给我这个分子的亲脂性吗?",
|
969 |
+
"input": "Cc1cc(CNc2nccc(Nc3cc(C)[nH]n3)n2)on1",
|
970 |
+
"output": "1.86"
|
971 |
+
},
|
972 |
+
{
|
973 |
+
"instruction": "我需要知道这个分子的logD,你能提供吗?",
|
974 |
+
"input": "Cc1cc(C)cc(-c2nnc(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)o2)c1",
|
975 |
+
"output": "3.0"
|
976 |
+
},
|
977 |
+
{
|
978 |
+
"instruction": "这个分子的亲脂水平是多少?",
|
979 |
+
"input": "Cc1cc(C)cc(-c2[nH]c3ccccc3c2CCNCCCCc2ccncc2)c1",
|
980 |
+
"output": "3.3"
|
981 |
+
},
|
982 |
+
{
|
983 |
+
"instruction": "请提供该分子的亲脂性。",
|
984 |
+
"input": "Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2CCNCCCCc2ccncc2)c1",
|
985 |
+
"output": "4.3"
|
986 |
+
},
|
987 |
+
{
|
988 |
+
"instruction": "你能告诉我这个分子的亲脂性吗?",
|
989 |
+
"input": "Cc1cc(C#N)oc1-c1c2c(=O)n(C)c(=O)n(CC3CC3)c2nn1Cc1ccnc2ccc(Cl)cc12",
|
990 |
+
"output": "4.34"
|
991 |
+
},
|
992 |
+
{
|
993 |
+
"instruction": "你能告诉我这个分子亲脂水平吗?",
|
994 |
+
"input": "Cc1cc(=O)oc2cc3c(cc12)CCCN3",
|
995 |
+
"output": "2.7"
|
996 |
+
},
|
997 |
+
{
|
998 |
+
"instruction": "请提供该分子的亲脂水平值。",
|
999 |
+
"input": "C[C@H]1CN(C(=O)OCC(F)(F)F)CCN1c1ncc(OCc2ccncc2C#N)cn1",
|
1000 |
+
"output": "3.0"
|
1001 |
+
},
|
1002 |
+
{
|
1003 |
+
"instruction": "这个分子的logD是多少?",
|
1004 |
+
"input": "C[C@H]1CCCN1CCc1cc2cc(-c3ccc(C#N)cc3)ccc2o1",
|
1005 |
+
"output": "3.51"
|
1006 |
+
},
|
1007 |
+
{
|
1008 |
+
"instruction": "这个分子的logD是多少?",
|
1009 |
+
"input": "C[C@@H]1C(SC2CN(C3=NCCS3)C2)=C(C(=O)OCOC(=O)C(C)(C)C)N2C(=O)[C@@H]([C@@H](C)O)[C@@H]12",
|
1010 |
+
"output": "2.1"
|
1011 |
+
},
|
1012 |
+
{
|
1013 |
+
"instruction": "你能给我这个分子的logD?",
|
1014 |
+
"input": "C[C@@H](NC1=CC(=O)CNC1)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1",
|
1015 |
+
"output": "2.49"
|
1016 |
+
},
|
1017 |
+
{
|
1018 |
+
"instruction": "请给我提供这个分子的亲脂水平。",
|
1019 |
+
"input": "COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC",
|
1020 |
+
"output": "-0.73"
|
1021 |
+
},
|
1022 |
+
{
|
1023 |
+
"instruction": "我对这个分子的logD很感兴趣,你能告诉我它是多少吗?",
|
1024 |
+
"input": "COc1cccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)c1",
|
1025 |
+
"output": "3.9"
|
1026 |
+
},
|
1027 |
+
{
|
1028 |
+
"instruction": "你能告诉我这个分子logD吗?",
|
1029 |
+
"input": "COc1ccc2ncc(=O)n(CCN3CC[C@H](NCc4cc5c(cn4)OCCO5)[C@H](O)C3)c2c1",
|
1030 |
+
"output": "0.77"
|
1031 |
+
},
|
1032 |
+
{
|
1033 |
+
"instruction": "这个分子的logD是多少?",
|
1034 |
+
"input": "COc1ccc2c(C)nc(=O)n(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2c1",
|
1035 |
+
"output": "0.29"
|
1036 |
+
},
|
1037 |
+
{
|
1038 |
+
"instruction": "请提供该分子的logD。",
|
1039 |
+
"input": "COc1ccc(CN2CCc3c([nH]c4ccccc34)C2)cc1OC",
|
1040 |
+
"output": "3.1"
|
1041 |
+
},
|
1042 |
+
{
|
1043 |
+
"instruction": "这个分子的亲脂性是多少?",
|
1044 |
+
"input": "COc1ccc(-c2nc3c(NCCCNC(C)=O)c(Br)cnc3[nH]2)cc1",
|
1045 |
+
"output": "3.28"
|
1046 |
+
},
|
1047 |
+
{
|
1048 |
+
"instruction": "你能给我这个分子的亲脂性吗?",
|
1049 |
+
"input": "COc1ccc(-c2nc(N)s[n+]2-c2ccccc2)cc1",
|
1050 |
+
"output": "2.19"
|
1051 |
+
},
|
1052 |
+
{
|
1053 |
+
"instruction": "这个分子的亲脂性是多少?",
|
1054 |
+
"input": "COc1ccc(-c2ccc3nc(N)sc3c2)cn1",
|
1055 |
+
"output": "3.2"
|
1056 |
+
},
|
1057 |
+
{
|
1058 |
+
"instruction": "请提供该分子的logD值。",
|
1059 |
+
"input": "COc1ccc(-c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1F",
|
1060 |
+
"output": "2.8"
|
1061 |
+
},
|
1062 |
+
{
|
1063 |
+
"instruction": "我对这个分子的亲脂水平很感兴趣,你能告诉我它是什么吗?",
|
1064 |
+
"input": "COc1cc2ncnc(Nc3ccc(Cl)c(O)c3)c2cc1OC",
|
1065 |
+
"output": "3.3"
|
1066 |
+
},
|
1067 |
+
{
|
1068 |
+
"instruction": "请提供该分子的亲脂水平。",
|
1069 |
+
"input": "COc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1OC",
|
1070 |
+
"output": "3.4"
|
1071 |
+
},
|
1072 |
+
{
|
1073 |
+
"instruction": "请提供该分子的亲脂水平值。",
|
1074 |
+
"input": "COc1cc(OC)c(S(=O)(=O)N(C)c2ccccc2)cc1NC(C)=O",
|
1075 |
+
"output": "1.1"
|
1076 |
+
},
|
1077 |
+
{
|
1078 |
+
"instruction": "我对这个分子的logD很感兴趣,你能告诉我它是什么吗?",
|
1079 |
+
"input": "COc1cc(F)ccc1-c1cncc(CNC2CCCCC2)c1",
|
1080 |
+
"output": "2.6"
|
1081 |
+
},
|
1082 |
+
{
|
1083 |
+
"instruction": "我想知道这个分子的亲脂水平,你能提供吗?",
|
1084 |
+
"input": "COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCCC1)CCC(=O)N2C",
|
1085 |
+
"output": "2.87"
|
1086 |
+
},
|
1087 |
+
{
|
1088 |
+
"instruction": "请给我提供这个分子的亲脂性。",
|
1089 |
+
"input": "COc1cc(C(=O)N2CC[C@@](CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC",
|
1090 |
+
"output": "3.23"
|
1091 |
+
},
|
1092 |
+
{
|
1093 |
+
"instruction": "这个分子的亲脂性是多少?",
|
1094 |
+
"input": "CO[C@H]1CN(CCn2c(=O)ccc3ccc(C#N)cc32)CC[C@@H]1NCc1cc2c(cn1)OCCO2",
|
1095 |
+
"output": "1.05"
|
1096 |
+
},
|
1097 |
+
{
|
1098 |
+
"instruction": "这个分子的logD是多少?",
|
1099 |
+
"input": "CO[C@H]1/C=C/O[C@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C/C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C",
|
1100 |
+
"output": "1.19"
|
1101 |
+
},
|
1102 |
+
{
|
1103 |
+
"instruction": "我想知道这个分子的亲脂水平,你能提供吗?",
|
1104 |
+
"input": "COCCOc1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1",
|
1105 |
+
"output": "3.1"
|
1106 |
+
},
|
1107 |
+
{
|
1108 |
+
"instruction": "这个分子的logD是多少?",
|
1109 |
+
"input": "COC(=O)c1ccc(CC(=O)N(C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1",
|
1110 |
+
"output": "4.0"
|
1111 |
+
},
|
1112 |
+
{
|
1113 |
+
"instruction": "你能告诉我这个分子的亲脂水平值吗?",
|
1114 |
+
"input": "CN[C@H](C)C(=O)N[C@H](C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(=O)OC)C(c1ccccc1)c1ccccc1)C1CCCCC1",
|
1115 |
+
"output": "2.42"
|
1116 |
+
},
|
1117 |
+
{
|
1118 |
+
"instruction": "我对这个分子的logD很感兴趣,你能告诉我它是多少吗?",
|
1119 |
+
"input": "CN1CCN(c2ccc3ncc(C(N)=O)c(Nc4ccc(Cl)cc4Cl)c3c2)CC1",
|
1120 |
+
"output": "3.23"
|
1121 |
+
},
|
1122 |
+
{
|
1123 |
+
"instruction": "你能给我这个分子的logD吗?",
|
1124 |
+
"input": "CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O",
|
1125 |
+
"output": "2.63"
|
1126 |
+
},
|
1127 |
+
{
|
1128 |
+
"instruction": "请提供该分子的亲脂性值。",
|
1129 |
+
"input": "CN(C)CC/C=C1/c2ccccc2COc2ccccc21",
|
1130 |
+
"output": "2.15"
|
1131 |
+
},
|
1132 |
+
{
|
1133 |
+
"instruction": "你能告诉我这个分子亲脂性吗?",
|
1134 |
+
"input": "CN(C(=O)Cc1ccc(Cl)c(Cl)c1)C(CN1CCCC1)c1ccccc1",
|
1135 |
+
"output": "3.38"
|
1136 |
+
},
|
1137 |
+
{
|
1138 |
+
"instruction": "这个分子的亲脂水平是多少?",
|
1139 |
+
"input": "CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21",
|
1140 |
+
"output": "-0.83"
|
1141 |
+
},
|
1142 |
+
{
|
1143 |
+
"instruction": "这个分子的logD是多少?",
|
1144 |
+
"input": "CCn1c(SCC(=O)Nc2c(C#N)cnn2-c2ccccc2)nnc1-c1cccs1",
|
1145 |
+
"output": "2.1"
|
1146 |
+
},
|
1147 |
+
{
|
1148 |
+
"instruction": "请给我提供这个分子的亲脂性值。",
|
1149 |
+
"input": "CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1",
|
1150 |
+
"output": "1.33"
|
1151 |
+
},
|
1152 |
+
{
|
1153 |
+
"instruction": "你能告诉我这个分子亲脂性吗?",
|
1154 |
+
"input": "CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1",
|
1155 |
+
"output": "3.65"
|
1156 |
+
},
|
1157 |
+
{
|
1158 |
+
"instruction": "我对这个分子的亲脂水平很感兴趣,你能告诉我它是什么吗?",
|
1159 |
+
"input": "CCN(C(=O)NCc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1",
|
1160 |
+
"output": "2.86"
|
1161 |
+
},
|
1162 |
+
{
|
1163 |
+
"instruction": "这个分子的logD是多少?",
|
1164 |
+
"input": "CCCc1c(OCc2cccc(NC(=O)c3ccccc3C(=O)O)c2)ccc(C(C)=O)c1O",
|
1165 |
+
"output": "1.9"
|
1166 |
+
},
|
1167 |
+
{
|
1168 |
+
"instruction": "请给我提供这个分子的亲脂水平值。",
|
1169 |
+
"input": "CCC1(c2ccc(N)cc2)CCC(=O)NC1=O",
|
1170 |
+
"output": "0.6"
|
1171 |
+
},
|
1172 |
+
{
|
1173 |
+
"instruction": "我想知道这个分子的logD,你能提供吗?",
|
1174 |
+
"input": "CCC(CC)NC(=O)c1cnn(-c2ccccn2)c1NS(=O)(=O)c1ccc(C)cc1",
|
1175 |
+
"output": "0.27"
|
1176 |
+
},
|
1177 |
+
{
|
1178 |
+
"instruction": "我对这个分子的logD很感兴趣,你能告诉我它是什么吗?",
|
1179 |
+
"input": "CCC(CC)NC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccc(C)cc1",
|
1180 |
+
"output": "0.79"
|
1181 |
+
},
|
1182 |
+
{
|
1183 |
+
"instruction": "这个分子的logD是多少?",
|
1184 |
+
"input": "CC(NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1",
|
1185 |
+
"output": "2.7"
|
1186 |
+
},
|
1187 |
+
{
|
1188 |
+
"instruction": "我想知道这个分子的亲脂性,你能提供吗?",
|
1189 |
+
"input": "CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1",
|
1190 |
+
"output": "0.56"
|
1191 |
+
},
|
1192 |
+
{
|
1193 |
+
"instruction": "这个分子的logD是多少?",
|
1194 |
+
"input": "CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N(C)C)c(Cc3ccccc3C(F)(F)F)sc21",
|
1195 |
+
"output": "2.9"
|
1196 |
+
},
|
1197 |
+
{
|
1198 |
+
"instruction": "这个分子的logD是多少?",
|
1199 |
+
"input": "CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)OCc2ccncc2)c1=O)C(=O)C(F)(F)F",
|
1200 |
+
"output": "2.41"
|
1201 |
+
},
|
1202 |
+
{
|
1203 |
+
"instruction": "请提供该分子的亲脂水平值。",
|
1204 |
+
"input": "CC(C)(C(N)=O)C(=O)NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1Br",
|
1205 |
+
"output": "2.32"
|
1206 |
+
},
|
1207 |
+
{
|
1208 |
+
"instruction": "请给我提供这个分子的logD值。",
|
1209 |
+
"input": "CC(=O)Nc1ccc2nc(-c3cccc(F)c3)cc(O)c2c1",
|
1210 |
+
"output": "2.41"
|
1211 |
+
},
|
1212 |
+
{
|
1213 |
+
"instruction": "请给我提供这个分子的亲脂性值。",
|
1214 |
+
"input": "CC(=O)Nc1ccc2c(c1)c(-c1cc(NC3CC3)n3ncc(C#N)c3n1)cn2C",
|
1215 |
+
"output": "2.94"
|
1216 |
+
},
|
1217 |
+
{
|
1218 |
+
"instruction": "请提供该分子的亲脂性。",
|
1219 |
+
"input": "CC(=O)N1CCN(c2ccc(Nc3nccc(-c4cnc(C)n4C(C)C)n3)cc2)CC1",
|
1220 |
+
"output": "2.39"
|
1221 |
+
},
|
1222 |
+
{
|
1223 |
+
"instruction": "请提供该分子的logD。",
|
1224 |
+
"input": "COc1cc(C)ccc1-c1cnc2sc(N3CCC(O)(CN)CC3)nn12",
|
1225 |
+
"output": "1.8"
|
1226 |
+
},
|
1227 |
+
{
|
1228 |
+
"instruction": "我想知道这个分子的logD,你能提供吗?",
|
1229 |
+
"input": "Cc1ccccc1N1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N\\C1COC1",
|
1230 |
+
"output": "2.6"
|
1231 |
+
},
|
1232 |
+
{
|
1233 |
+
"instruction": "我想知道这个分子的亲脂性,你能提供吗?",
|
1234 |
+
"input": "O=C([C@H]1C[C@@H](c2cccc(Cl)c2)CN1)N1CCN(c2nccc3ccsc23)CC1",
|
1235 |
+
"output": "3.9"
|
1236 |
+
},
|
1237 |
+
{
|
1238 |
+
"instruction": "请提供该分子的亲脂性值。",
|
1239 |
+
"input": "Fc1cc(Cl)ccc1-c1ccc(Cn2nnc3ccccc32)cn1",
|
1240 |
+
"output": "5.48"
|
1241 |
+
},
|
1242 |
+
{
|
1243 |
+
"instruction": "我想知道这个分子的亲脂性,你能提供吗?",
|
1244 |
+
"input": "CN(C)c1nc(=O)n(-c2ccccn2)c2cc(Cl)ccc12",
|
1245 |
+
"output": "0.84"
|
1246 |
+
},
|
1247 |
+
{
|
1248 |
+
"instruction": "你能告诉我这个分子的亲脂水平吗?",
|
1249 |
+
"input": "c1ccc2c(c1)CCCC2CCCN1CCN(C2CCCCC2)CC1",
|
1250 |
+
"output": "3.9"
|
1251 |
+
},
|
1252 |
+
{
|
1253 |
+
"instruction": "这个分子的亲脂性是多少?",
|
1254 |
+
"input": "CN(C)C(=O)CN1CCC(n2cc(Nc3nc(NC4(C)CC4)c4c(=O)n(C)ccc4n3)cn2)CC1",
|
1255 |
+
"output": "2.4"
|
1256 |
+
},
|
1257 |
+
{
|
1258 |
+
"instruction": "你能告诉我这个分子亲脂性吗?",
|
1259 |
+
"input": "CC(Nc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(-c2cnco2)cc1",
|
1260 |
+
"output": "3.7"
|
1261 |
+
},
|
1262 |
+
{
|
1263 |
+
"instruction": "你能告诉我这个分子的亲脂性值吗?",
|
1264 |
+
"input": "CN1CCC(n2cc(Nc3nc(NC4(C)CC4)c4c(=O)n(C)ccc4n3)cn2)CC1",
|
1265 |
+
"output": "2.4"
|
1266 |
+
},
|
1267 |
+
{
|
1268 |
+
"instruction": "我对这个分子的亲脂水平很感兴趣,你能告诉我它是多少吗?",
|
1269 |
+
"input": "OC1CC2(CCNCC2)Oc2c1ccc1ccccc21",
|
1270 |
+
"output": "2.46"
|
1271 |
+
},
|
1272 |
+
{
|
1273 |
+
"instruction": "我想知道这个分子的logD,你能提供吗?",
|
1274 |
+
"input": "COc1ccc2c(c1)c(Cc1nonc1O)c(C)n2C(=O)c1ccc(Cl)cc1",
|
1275 |
+
"output": "1.8"
|
1276 |
+
},
|
1277 |
+
{
|
1278 |
+
"instruction": "我想知道这个分子的亲脂性,你能提供吗?",
|
1279 |
+
"input": "COc1cc(N2CCC(N(C)C)CC2)c(-c2cnn(C)c2)cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1",
|
1280 |
+
"output": "1.9"
|
1281 |
+
},
|
1282 |
+
{
|
1283 |
+
"instruction": "你能告诉我这个分子的亲脂性值吗?",
|
1284 |
+
"input": "CC1(C)NC(=O)N(c2ccc(F)c(C(F)F)c2)C1=O",
|
1285 |
+
"output": "2.2"
|
1286 |
+
},
|
1287 |
+
{
|
1288 |
+
"instruction": "你能给我这个分子的logD?",
|
1289 |
+
"input": "CC[C@H](C)[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC1=O",
|
1290 |
+
"output": "2.32"
|
1291 |
+
},
|
1292 |
+
{
|
1293 |
+
"instruction": "你能告诉我这个分子的亲脂水平吗?",
|
1294 |
+
"input": "Cc1cnc(C(C)(C)C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(C4CC4)n2C2CC3C2)o1",
|
1295 |
+
"output": "4.4"
|
1296 |
+
},
|
1297 |
+
{
|
1298 |
+
"instruction": "请提供该分子的logD值。",
|
1299 |
+
"input": "CC1(c2ccncc2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O",
|
1300 |
+
"output": "3.04"
|
1301 |
+
},
|
1302 |
+
{
|
1303 |
+
"instruction": "这个分子的logD是多少?",
|
1304 |
+
"input": "COc1ccc(Nc2ncc3[nH]c(=O)n([C@H]4CC[C@H](O)CC4)c3n2)c(C)c1",
|
1305 |
+
"output": "2.3"
|
1306 |
+
},
|
1307 |
+
{
|
1308 |
+
"instruction": "请提供该分子的亲脂性。",
|
1309 |
+
"input": "Cc1noc(C)c1C(=O)N1CCC(c2cn(C)c3ncc(NC(=O)c4cccc(C#N)c4)c(C)c23)CC1",
|
1310 |
+
"output": "2.0"
|
1311 |
+
},
|
1312 |
+
{
|
1313 |
+
"instruction": "我想知道这个分子的亲脂性,你能提供吗?",
|
1314 |
+
"input": "COc1ccc(NC(=N)c2ccc(Cl)cc2)cc1CSC1CCCC1",
|
1315 |
+
"output": "3.7"
|
1316 |
+
},
|
1317 |
+
{
|
1318 |
+
"instruction": "我想知道这个分子的亲脂性,你能提供吗?",
|
1319 |
+
"input": "COc1cc(CCc2cnc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)c(OC)c3)nc2)c(F)c(OC)c1",
|
1320 |
+
"output": "3.2"
|
1321 |
+
},
|
1322 |
+
{
|
1323 |
+
"instruction": "你能告诉我这个分子亲脂性吗?",
|
1324 |
+
"input": "CNc1nc2nc3c1[nH]c(=O)n3Cc1cccc(c1)OCCCCO2",
|
1325 |
+
"output": "3.1"
|
1326 |
+
},
|
1327 |
+
{
|
1328 |
+
"instruction": "请提供该分子的亲脂水平值。",
|
1329 |
+
"input": "COc1ccc(S(N)(=O)=O)cc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1",
|
1330 |
+
"output": "3.6"
|
1331 |
+
},
|
1332 |
+
{
|
1333 |
+
"instruction": "请给我提供这个分子的logD值。",
|
1334 |
+
"input": "CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1",
|
1335 |
+
"output": "2.31"
|
1336 |
+
},
|
1337 |
+
{
|
1338 |
+
"instruction": "请提供该分子的亲脂性。",
|
1339 |
+
"input": "Cc1ccc(C(=O)NC2CC2)cc1-n1ccnc(NCCc2ccccc2)c1=O",
|
1340 |
+
"output": "3.0"
|
1341 |
+
},
|
1342 |
+
{
|
1343 |
+
"instruction": "这个分子的亲脂水平是多少?",
|
1344 |
+
"input": "CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CCc1ccc(Br)cc1)c1ccc(-c2scnc2C)cc1)C(C)(C)C",
|
1345 |
+
"output": "4.08"
|
1346 |
+
},
|
1347 |
+
{
|
1348 |
+
"instruction": "你能给我这个分子的亲脂水平吗?",
|
1349 |
+
"input": "CC(Nc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(C#N)cc1",
|
1350 |
+
"output": "4.2"
|
1351 |
+
},
|
1352 |
+
{
|
1353 |
+
"instruction": "我对这个分子的亲脂水平很感兴趣,你能告诉我它是什么吗?",
|
1354 |
+
"input": "COc1ccc2nccc(CCN3CCC(NCc4ccc(I)cc4)CC3)c2n1",
|
1355 |
+
"output": "2.18"
|
1356 |
+
},
|
1357 |
+
{
|
1358 |
+
"instruction": "请提供该分子的logD。",
|
1359 |
+
"input": "CN1CCC(n2cc(Nc3nc(NC4(C)CC4)c4c(=O)n(-c5cnn[nH]5)ccc4n3)cn2)CC1",
|
1360 |
+
"output": "2.5"
|
1361 |
+
},
|
1362 |
+
{
|
1363 |
+
"instruction": "你能告诉我这个分子的亲脂水平值吗?",
|
1364 |
+
"input": "O=C(COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOCCOCCOCc1ccccc1",
|
1365 |
+
"output": "2.0"
|
1366 |
+
},
|
1367 |
+
{
|
1368 |
+
"instruction": "请提供该分子的亲脂水平。",
|
1369 |
+
"input": "CC(=O)Nc1nc(C)c(-c2cc3c(c(S(=O)(=O)CCCO)c2)C(=O)N([C@@H](C)C2CC2)C3)s1",
|
1370 |
+
"output": "1.9"
|
1371 |
+
},
|
1372 |
+
{
|
1373 |
+
"instruction": "你能给我这个分子的亲脂水平吗?",
|
1374 |
+
"input": "O=c1[nH]c(Oc2cn[nH]c2)nc2cnccc12",
|
1375 |
+
"output": "-0.6"
|
1376 |
+
},
|
1377 |
+
{
|
1378 |
+
"instruction": "这个分子的logD是多少?",
|
1379 |
+
"input": "CN1C[C@@H]2C[C@H]1C[C@@H]2n1cc(Nc2nc(NC3(C)CC3)c3c(=O)n(C)ccc3n2)cn1",
|
1380 |
+
"output": "1.4"
|
1381 |
+
},
|
1382 |
+
{
|
1383 |
+
"instruction": "这个分子的亲脂性是多少?",
|
1384 |
+
"input": "CNC(=O)c1cccc(-c2ccnc(NC(=O)C3CCOC3)c2)c1",
|
1385 |
+
"output": "1.9"
|
1386 |
+
},
|
1387 |
+
{
|
1388 |
+
"instruction": "我需要知道这个分子的logD,你能提供吗?",
|
1389 |
+
"input": "CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)ccc4n3CC3CC3)ccc21",
|
1390 |
+
"output": "3.0"
|
1391 |
+
},
|
1392 |
+
{
|
1393 |
+
"instruction": "我对这个分子的亲脂水平很感兴趣,你能告诉我它是什么吗?",
|
1394 |
+
"input": "CCc1nc(C)cn2nc(-c3cc(=O)n4cc(C5CCN(C)CC5)cc(C)c4n3)cc12",
|
1395 |
+
"output": "2.3"
|
1396 |
+
},
|
1397 |
+
{
|
1398 |
+
"instruction": "请提供该分子的亲脂水平。",
|
1399 |
+
"input": "N#Cc1cnn2c3cc(nc12)N1CC[C@@H](C1)OC/C=C/COc1cc(cc2c1NC(=O)CC2)N3",
|
1400 |
+
"output": "2.4"
|
1401 |
+
},
|
1402 |
+
{
|
1403 |
+
"instruction": "请提供该分子的亲脂性。",
|
1404 |
+
"input": "CN(C)CCCO/N=C1/C[C@H]2C(C)(C)O[C@H]3CC(=O)OC[C@]32[C@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]43[C@]12C",
|
1405 |
+
"output": "0.37"
|
1406 |
+
},
|
1407 |
+
{
|
1408 |
+
"instruction": "这个分子的亲脂水平是多少?",
|
1409 |
+
"input": "COc1cc(C)[nH]c(=O)c1CN1CCc2c(Cl)cc([C@@H](O)C3COC3)c(Cl)c2C1=O",
|
1410 |
+
"output": "1.3"
|
1411 |
+
},
|
1412 |
+
{
|
1413 |
+
"instruction": "你能给我这个分子的亲脂水平?",
|
1414 |
+
"input": "Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-c3nncn3C)cc2)cc1",
|
1415 |
+
"output": "3.21"
|
1416 |
+
},
|
1417 |
+
{
|
1418 |
+
"instruction": "请提供该分子的亲脂水平。",
|
1419 |
+
"input": "N#CNC(=O)c1ccc(-c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)cc1",
|
1420 |
+
"output": "-1.1"
|
1421 |
+
},
|
1422 |
+
{
|
1423 |
+
"instruction": "请提供该分子的logD。",
|
1424 |
+
"input": "Nc1ncnc2c1sc1cc(-c3cccc(C(=O)NCCc4cccnc4)c3)ccc12",
|
1425 |
+
"output": "2.7"
|
1426 |
+
},
|
1427 |
+
{
|
1428 |
+
"instruction": "请提供该分子的logD。",
|
1429 |
+
"input": "O=C(O)CCCOc1ccc([C@H]2CC[C@]3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1",
|
1430 |
+
"output": "3.6"
|
1431 |
+
},
|
1432 |
+
{
|
1433 |
+
"instruction": "我对这个分子的亲脂性很感兴趣,你能告诉我它是什么吗?",
|
1434 |
+
"input": "CCP(=O)(OC)c1ccc2nc(-c3ccccc3C(F)F)oc2c1",
|
1435 |
+
"output": "3.33"
|
1436 |
+
},
|
1437 |
+
{
|
1438 |
+
"instruction": "你能告诉我这个分子的亲脂性值吗?",
|
1439 |
+
"input": "N=C(N)NC(=O)c1nc(Cl)c(N)nc1N",
|
1440 |
+
"output": "0.3"
|
1441 |
+
},
|
1442 |
+
{
|
1443 |
+
"instruction": "我想知道这个分子的亲脂性,你能提供吗?",
|
1444 |
+
"input": "CCOc1nc(NC(=O)C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5cncnc5)n(C)c4c3)CCC2)ccc1/C=C/C(=O)O",
|
1445 |
+
"output": "3.4"
|
1446 |
+
},
|
1447 |
+
{
|
1448 |
+
"instruction": "你能给我这个分子的亲脂水平吗?",
|
1449 |
+
"input": "CN1CCN(C(=O)C(C)(C)C)C(c2ccccc2)C1",
|
1450 |
+
"output": "4.9"
|
1451 |
+
},
|
1452 |
+
{
|
1453 |
+
"instruction": "我对这个分子的亲脂性很感兴趣,你能告诉我它是多少吗?",
|
1454 |
+
"input": "O=C(C1CC1)N1C2CCC1CN(c1nc(Nc3cnn(CCO)c3)ncc1F)C2",
|
1455 |
+
"output": "1.8"
|
1456 |
+
},
|
1457 |
+
{
|
1458 |
+
"instruction": "这个分子的亲脂性是多少?",
|
1459 |
+
"input": "COCC(=O)N(C)C1CCN(Cc2cc3nc(-c4cnc(N)nc4)nc(N4CCOCC4)c3s2)CC1",
|
1460 |
+
"output": "2.7"
|
1461 |
+
},
|
1462 |
+
{
|
1463 |
+
"instruction": "请提供该分子的亲脂性。",
|
1464 |
+
"input": "CC(=O)N1CCN([C@H]2CC[C@H](Nc3ncnc4[nH]cc(C5CCOCC5)c34)CC2)CC1",
|
1465 |
+
"output": "1.3"
|
1466 |
+
},
|
1467 |
+
{
|
1468 |
+
"instruction": "请提供该分子的亲脂水平。",
|
1469 |
+
"input": "COc1ccc(Nc2ncc3c(n2)n([C@H]2CC[C@H](O)CC2)c(=O)n3C)cc1",
|
1470 |
+
"output": "2.3"
|
1471 |
+
},
|
1472 |
+
{
|
1473 |
+
"instruction": "这个分子的亲脂性是多少?",
|
1474 |
+
"input": "C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H](O)[C@]1(C)O",
|
1475 |
+
"output": "3.2"
|
1476 |
+
},
|
1477 |
+
{
|
1478 |
+
"instruction": "我想知道这个分子的亲脂水平,你能提供吗?",
|
1479 |
+
"input": "O=C(CC1SCCNC1=O)Nc1ccc(O)cc1",
|
1480 |
+
"output": "0.1"
|
1481 |
+
},
|
1482 |
+
{
|
1483 |
+
"instruction": "请提供该分子的亲脂性。",
|
1484 |
+
"input": "CC(C)(C)c1ccc(C(=O)Nc2cc(Cl)cnc2C(=O)O)cc1",
|
1485 |
+
"output": "2.7"
|
1486 |
+
},
|
1487 |
+
{
|
1488 |
+
"instruction": "这个分子的logD是多少?",
|
1489 |
+
"input": "CNC(=O)c1c(-c2ccc(O)c(F)c2)oc2ccc(O)c(CN3CCC4(COC4)C3)c12",
|
1490 |
+
"output": "1.0"
|
1491 |
+
},
|
1492 |
+
{
|
1493 |
+
"instruction": "这个分子的亲脂性是多少?",
|
1494 |
+
"input": "CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O",
|
1495 |
+
"output": "-0.95"
|
1496 |
+
},
|
1497 |
+
{
|
1498 |
+
"instruction": "请提供该分子的亲脂性。",
|
1499 |
+
"input": "N=C(N)NC(=O)c1nc(-c2cc3ccccc3o2)c(N2CCCCCC2)nc1N",
|
1500 |
+
"output": "5.1"
|
1501 |
+
},
|
1502 |
+
{
|
1503 |
+
"instruction": "请提供该分子的亲脂性。",
|
1504 |
+
"input": "Cc1cc(-c2nc(C(N)=O)c(C)nc2C)ccc1-c1ccc(CC(=O)O)cc1",
|
1505 |
+
"output": "0.5"
|
1506 |
+
},
|
1507 |
+
{
|
1508 |
+
"instruction": "你能告诉我这个分子的亲脂水平吗?",
|
1509 |
+
"input": "CN(C1CCCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)C1)S(C)(=O)=O",
|
1510 |
+
"output": "4.9"
|
1511 |
+
},
|
1512 |
+
{
|
1513 |
+
"instruction": "这个分子的logD是多少?",
|
1514 |
+
"input": "Cn1cc(-c2cn(C)c3ccc(Oc4ccc(NC(=O)[C@@H]5CCCN5)cc4)cc23)cn1",
|
1515 |
+
"output": "1.9"
|
1516 |
+
},
|
1517 |
+
{
|
1518 |
+
"instruction": "请提供该分子的亲脂性。",
|
1519 |
+
"input": "CN1CCN(c2cc(Cl)c3nc(Nc4ccc(Br)cn4)[nH]c3c2)CC1",
|
1520 |
+
"output": "3.0"
|
1521 |
+
},
|
1522 |
+
{
|
1523 |
+
"instruction": "你能告诉我这个分子的亲脂性值吗?",
|
1524 |
+
"input": "O=S(=O)(Nc1ccncn1)c1cc2c(cc1F)[C@@H](N1CC[C@H](C(F)(F)F)C[C@@H]1c1ccccn1)CCO2",
|
1525 |
+
"output": "1.4"
|
1526 |
+
},
|
1527 |
+
{
|
1528 |
+
"instruction": "这个分子的亲脂水平是多少?",
|
1529 |
+
"input": "C[C@@H]1[C@@H]2CN(c3nc(Nc4cnn(C)c4)ncc3F)C[C@]12NC(=O)[C@@H]1CC1(F)F",
|
1530 |
+
"output": "2.65"
|
1531 |
+
},
|
1532 |
+
{
|
1533 |
+
"instruction": "这个分子的logD是多少?",
|
1534 |
+
"input": "CSc1cccc(N2C(=O)CN(C3CCN(CC4=CC[C@H]5C[C@@H]4C5(C)C)CC3)C2=O)c1",
|
1535 |
+
"output": "5.0"
|
1536 |
+
},
|
1537 |
+
{
|
1538 |
+
"instruction": "这个分子的亲脂水平是多少?",
|
1539 |
+
"input": "O=c1nc(Nc2ncnc3ccc(-c4cccc(N5CCOCC5)c4)cc23)c(F)c[nH]1",
|
1540 |
+
"output": "2.2"
|
1541 |
+
},
|
1542 |
+
{
|
1543 |
+
"instruction": "这个分子的亲脂水平是多少?",
|
1544 |
+
"input": "CNC(=O)c1c(-c2ccc(O)cc2C)oc2ccc(O)c(CN3CCC4(COC4)C3)c12",
|
1545 |
+
"output": "1.0"
|
1546 |
+
},
|
1547 |
+
{
|
1548 |
+
"instruction": "请提供该分子的亲脂水平。",
|
1549 |
+
"input": "CNC(=O)c1c(-c2ccc(O)cn2)oc2ccc(O)c(CN3CCC4(COC4)C3)c12",
|
1550 |
+
"output": "0.5"
|
1551 |
+
},
|
1552 |
+
{
|
1553 |
+
"instruction": "这个分子的亲脂性是多少?",
|
1554 |
+
"input": "Cc1ccc2c(c1)c(-c1cc(C)nc3ccccc13)c(C)n2CC(=O)O",
|
1555 |
+
"output": "2.89"
|
1556 |
+
},
|
1557 |
+
{
|
1558 |
+
"instruction": "请提供该分子的亲脂水平。",
|
1559 |
+
"input": "Cc1ccccc1C(=O)Nc1cc(C#Cc2ccccc2)ccn1",
|
1560 |
+
"output": "4.7"
|
1561 |
+
},
|
1562 |
+
{
|
1563 |
+
"instruction": "请提供该分子的亲脂水平。",
|
1564 |
+
"input": "CCc1cc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4)CC3)cc2[nH]c1=O",
|
1565 |
+
"output": "2.8"
|
1566 |
+
},
|
1567 |
+
{
|
1568 |
+
"instruction": "我想知道这个分子的亲脂性,你能提供吗?",
|
1569 |
+
"input": "CC(=O)N[C@H]1CCN(Cc2cc3nc(-c4cnc(N)nc4)nc(N4CCOCC4)c3s2)C1",
|
1570 |
+
"output": "1.8"
|
1571 |
+
},
|
1572 |
+
{
|
1573 |
+
"instruction": "这个分子的亲脂水平是多少?",
|
1574 |
+
"input": "Cn1c(C(=O)NC2(c3ccc(C(CC(=O)O)c4cccnc4)cc3)COC2)cc2c(Cl)c(Cl)ccc21",
|
1575 |
+
"output": "2.61"
|
1576 |
+
},
|
1577 |
+
{
|
1578 |
+
"instruction": "请给我这个分子的亲脂水平。",
|
1579 |
+
"input": "CCOc1cc2oc(=O)n(CCC(=O)O)c2cc1Cl",
|
1580 |
+
"output": "1.49"
|
1581 |
+
},
|
1582 |
+
{
|
1583 |
+
"instruction": "你能告诉我这个分子logD吗?",
|
1584 |
+
"input": "CNC(=O)c1cc(C(=O)N[C@H]2[C@@H]3C[C@@H](O)C[C@@H]32)cc(Cc2ccccc2)n1",
|
1585 |
+
"output": "3.1"
|
1586 |
+
},
|
1587 |
+
{
|
1588 |
+
"instruction": "你能告诉我这个分子的亲脂性吗?",
|
1589 |
+
"input": "CC1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(c2cccc(C(=N)N)c2)C1",
|
1590 |
+
"output": "-0.49"
|
1591 |
+
},
|
1592 |
+
{
|
1593 |
+
"instruction": "你能告诉我这个分子的logD值吗?",
|
1594 |
+
"input": "CCC(C(C)=O)N1CCC(N(c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1",
|
1595 |
+
"output": "4.6"
|
1596 |
+
},
|
1597 |
+
{
|
1598 |
+
"instruction": "这个分子的亲脂性是多少?",
|
1599 |
+
"input": "CC(=O)N1C[C@@H]2C[C@H]1C[C@H]2c1ccc(-c2cc(C(=O)O)cc3cc(-c4ccc(C(F)(F)F)cc4)ccc23)cc1",
|
1600 |
+
"output": "0.74"
|
1601 |
+
},
|
1602 |
+
{
|
1603 |
+
"instruction": "你能给我这个分子的亲脂性?",
|
1604 |
+
"input": "O=C(C1CC1)N1CCC(N(c2ccc(Cl)cc2)c2cccnc2)CC1",
|
1605 |
+
"output": "3.4"
|
1606 |
+
},
|
1607 |
+
{
|
1608 |
+
"instruction": "你能告诉我这个分子亲脂水平吗?",
|
1609 |
+
"input": "CC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1O",
|
1610 |
+
"output": "3.7"
|
1611 |
+
},
|
1612 |
+
{
|
1613 |
+
"instruction": "这个分子的亲脂性是多少?",
|
1614 |
+
"input": "COC(=O)N1CC[C@@H](Cc2cccc([C@@H](CC#N)Nc3nc4nc(C)ccc4[nH]3)c2)C1",
|
1615 |
+
"output": "3.1"
|
1616 |
+
},
|
1617 |
+
{
|
1618 |
+
"instruction": "你能告诉我这个分子的logD吗?",
|
1619 |
+
"input": "C[C@H]1[C@H](F)C[C@@H](C(=O)NCc2cc(-c3cnc(C(F)(F)F)cn3)ncn2)N1S(=O)(=O)c1ccc(F)cc1",
|
1620 |
+
"output": "2.3"
|
1621 |
+
},
|
1622 |
+
{
|
1623 |
+
"instruction": "这个分子的亲脂水平是多少?",
|
1624 |
+
"input": "CCCC(=O)Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12",
|
1625 |
+
"output": "3.7"
|
1626 |
+
},
|
1627 |
+
{
|
1628 |
+
"instruction": "请提供该分子的logD。",
|
1629 |
+
"input": "CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(N2CCC[C@@]3(C2)CC(C)(C)OC3=O)CC1",
|
1630 |
+
"output": "3.01"
|
1631 |
+
},
|
1632 |
+
{
|
1633 |
+
"instruction": "这个分子的logD是多少?",
|
1634 |
+
"input": "CC(C)c1cccc(OCC(=O)Nc2ccc(OCC(=O)O)c(F)c2)c1",
|
1635 |
+
"output": "0.15"
|
1636 |
+
},
|
1637 |
+
{
|
1638 |
+
"instruction": "我想知道这个分子的亲脂水平,你能提供吗?",
|
1639 |
+
"input": "CCC1CN(Cc2ccccc2)c2cc(Br)ccc2N1C(C)=O",
|
1640 |
+
"output": "7.4"
|
1641 |
+
},
|
1642 |
+
{
|
1643 |
+
"instruction": "这个分子的亲脂水平是多少?",
|
1644 |
+
"input": "COc1ccccc1[C@H](N)CNc1cc(C)nc2nc(N[C@H](CC#N)c3cccc(Cl)c3)nn12",
|
1645 |
+
"output": "3.1"
|
1646 |
+
},
|
1647 |
+
{
|
1648 |
+
"instruction": "我对这个分子的亲脂性很感兴趣,你能告诉我它是多少吗?",
|
1649 |
+
"input": "Cc1cc2c(cc1C)-c1oc(C(=O)N3CCN(Cc4ccccc4)CC3)c(C)c1C(=O)C2=O",
|
1650 |
+
"output": "4.82"
|
1651 |
+
},
|
1652 |
+
{
|
1653 |
+
"instruction": "这个分子的logD是多少?",
|
1654 |
+
"input": "O=C(NOCCO)c1ccc2cnsc2c1Nc1ccc(I)cc1F",
|
1655 |
+
"output": "3.1"
|
1656 |
+
},
|
1657 |
+
{
|
1658 |
+
"instruction": "请提供该分子的logD。",
|
1659 |
+
"input": "Cc1c(F)ccc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CCNCC4)cc32)c1F",
|
1660 |
+
"output": "-1.12"
|
1661 |
+
},
|
1662 |
+
{
|
1663 |
+
"instruction": "请提供该分子的logD值。",
|
1664 |
+
"input": "O=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Cl",
|
1665 |
+
"output": "1.13"
|
1666 |
+
},
|
1667 |
+
{
|
1668 |
+
"instruction": "请给我提供这个分子的亲脂水平。",
|
1669 |
+
"input": "O=C(C1CCN(c2ccccn2)CC1)N1N=CC[C@H]1c1ccccc1",
|
1670 |
+
"output": "5.1"
|
1671 |
+
},
|
1672 |
+
{
|
1673 |
+
"instruction": "你能给我这个分子的亲脂性吗?",
|
1674 |
+
"input": "CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O",
|
1675 |
+
"output": "-1.6"
|
1676 |
+
},
|
1677 |
+
{
|
1678 |
+
"instruction": "请给我提供这个分子的亲脂性。",
|
1679 |
+
"input": "CCCc1ccc(N2C[C@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)OC2=O)cc1",
|
1680 |
+
"output": "1.6"
|
1681 |
+
},
|
1682 |
+
{
|
1683 |
+
"instruction": "你能给我这个分子的亲脂性吗?",
|
1684 |
+
"input": "CN(CCc1ccc(O)c2nc(O)sc12)CCN(C)C(=O)CCOCCc1ccccc1",
|
1685 |
+
"output": "2.59"
|
1686 |
+
},
|
1687 |
+
{
|
1688 |
+
"instruction": "你能给我这个分子的logD吗?",
|
1689 |
+
"input": "CN1CCCN[C@@H](Cc2ccc(Cl)cc2)CC(=O)N[C@H]2CCc3ccccc3N(CC(=O)N[C@H](Cc3ccc(Cl)c(Cl)c3)CC1=O)C2=O",
|
1690 |
+
"output": "4.3"
|
1691 |
+
},
|
1692 |
+
{
|
1693 |
+
"instruction": "我想知道这个分子的logD,你能提供吗?",
|
1694 |
+
"input": "CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCOCC3)cc2C1=O",
|
1695 |
+
"output": "1.3"
|
1696 |
+
},
|
1697 |
+
{
|
1698 |
+
"instruction": "你能给我这个分子的亲脂水平吗?",
|
1699 |
+
"input": "CC(C)(C)OC(=O)N1CCCC(c2cn3nc(Cl)ccc3n2)C1",
|
1700 |
+
"output": "4.04"
|
1701 |
+
},
|
1702 |
+
{
|
1703 |
+
"instruction": "请提供该分子的亲脂性。",
|
1704 |
+
"input": "CS(=O)(=O)NC(=O)COc1ccc([C@H]2CC[C@]3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1",
|
1705 |
+
"output": "3.0"
|
1706 |
+
},
|
1707 |
+
{
|
1708 |
+
"instruction": "请提供该分子的亲脂水平。",
|
1709 |
+
"input": "C=CC(=O)N1C[C@H](COc2nc(Nc3cnn(C)c3)nc3[nH]ccc23)[C@@H](C(F)(F)F)C1",
|
1710 |
+
"output": "2.7"
|
1711 |
+
},
|
1712 |
+
{
|
1713 |
+
"instruction": "这个分子的亲脂水平是多少?",
|
1714 |
+
"input": "CC(C)(C)CCNc1cc(N2CCN(C3CCCCC3)CC2)ncn1",
|
1715 |
+
"output": "3.84"
|
1716 |
+
},
|
1717 |
+
{
|
1718 |
+
"instruction": "请提供该分子的亲脂水平。",
|
1719 |
+
"input": "CCN(CC)C(=O)c1ccc2c(C(=O)O)ccc(O)c2n1",
|
1720 |
+
"output": "1.5"
|
1721 |
+
},
|
1722 |
+
{
|
1723 |
+
"instruction": "这个分子的亲脂水平是多少?",
|
1724 |
+
"input": "CC(=O)Nc1ccc(Cc2noc(-c3ccc4[nH]cc(CCN)c4c3)n2)cc1",
|
1725 |
+
"output": "0.48"
|
1726 |
+
},
|
1727 |
+
{
|
1728 |
+
"instruction": "这个分子的亲脂性是多少?",
|
1729 |
+
"input": "O=C(N[C@H]1C2CC3CC1C[C@](O)(C3)C2)c1cnc(N2CCOCC2)nc1C1CCCC1",
|
1730 |
+
"output": "3.0"
|
1731 |
+
},
|
1732 |
+
{
|
1733 |
+
"instruction": "我需要知道这个分子的logD,你能提供吗?",
|
1734 |
+
"input": "c1ccc(CN2CCC(Oc3ncnc4c3ccn4Cc3ccccc3)CC2)cc1",
|
1735 |
+
"output": "4.96"
|
1736 |
+
},
|
1737 |
+
{
|
1738 |
+
"instruction": "你能给我这个分子的亲脂水平吗?",
|
1739 |
+
"input": "CCC[C@H](c1ccc(C(=O)O)c(Oc2cccc(Cl)c2)c1)N1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1",
|
1740 |
+
"output": "0.6"
|
1741 |
+
},
|
1742 |
+
{
|
1743 |
+
"instruction": "我想知道这个分子的logD,你能提供吗?",
|
1744 |
+
"input": "Cc1cc(-c2cc3[nH]nc(N[C@@H]4CCNC[C@H]4F)c3cc2C2CC2)cc(C)n1",
|
1745 |
+
"output": "2.7"
|
1746 |
+
},
|
1747 |
+
{
|
1748 |
+
"instruction": "请给我提供这个分子的logD值。",
|
1749 |
+
"input": "Cc1ccc(S(=O)(=O)NCCc2ccc(Oc3ccc(F)c(F)c3)cc2)cc1C(=O)O",
|
1750 |
+
"output": "1.6"
|
1751 |
+
},
|
1752 |
+
{
|
1753 |
+
"instruction": "你能告诉我这个分子的logD值吗?",
|
1754 |
+
"input": "CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2cccc(C(F)(F)F)c2)C2CCN(S(C)(=O)=O)CC2)CC1",
|
1755 |
+
"output": "1.9"
|
1756 |
+
},
|
1757 |
+
{
|
1758 |
+
"instruction": "你能给我这个分子的亲脂性吗?",
|
1759 |
+
"input": "CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)C(Oc2ccccc2)c2nnc(-c3ccccc3)n2-c2ccccc21",
|
1760 |
+
"output": "3.08"
|
1761 |
+
},
|
1762 |
+
{
|
1763 |
+
"instruction": "你能给我这个分子的logD吗?",
|
1764 |
+
"input": "Cc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)c2cccnc12",
|
1765 |
+
"output": "2.6"
|
1766 |
+
},
|
1767 |
+
{
|
1768 |
+
"instruction": "我想知道这个分子的亲脂性,你能提供吗?",
|
1769 |
+
"input": "CCCC(Nc1cnc(-n2cc(C(F)(F)F)cn2)nc1)c1ccc(C(=O)NCCC(=O)O)cc1",
|
1770 |
+
"output": "1.3"
|
1771 |
+
},
|
1772 |
+
{
|
1773 |
+
"instruction": "我想知道这个分子的logD,你能提供吗?",
|
1774 |
+
"input": "C=CC(=O)CCC(=O)OCC(O)COc1ccc(Cl)cc1",
|
1775 |
+
"output": "2.44"
|
1776 |
+
},
|
1777 |
+
{
|
1778 |
+
"instruction": "请提供该分子的亲脂性。",
|
1779 |
+
"input": "CCCC(Oc1ccc(-n2cc(Cl)cn2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1",
|
1780 |
+
"output": "2.6"
|
1781 |
+
},
|
1782 |
+
{
|
1783 |
+
"instruction": "这个分子的亲脂水平是多少?",
|
1784 |
+
"input": "CC(C)N(C(=O)CN1C(=O)C(Cc2ccccc2)c2nnc(-c3ccccc3)n2-c2ccccc21)c1ccccc1",
|
1785 |
+
"output": "3.13"
|
1786 |
+
},
|
1787 |
+
{
|
1788 |
+
"instruction": "请给我这个分子的亲脂水平。",
|
1789 |
+
"input": "CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)C2CCN(S(=O)(=O)CC(F)(F)F)CC2)CC1",
|
1790 |
+
"output": "2.2"
|
1791 |
+
},
|
1792 |
+
{
|
1793 |
+
"instruction": "这个分子的logD是多少?",
|
1794 |
+
"input": "c1cc(-c2ccc3ncnc(Nc4ccncn4)c3c2)cc(N2CCOCC2)c1",
|
1795 |
+
"output": "3.1"
|
1796 |
+
},
|
1797 |
+
{
|
1798 |
+
"instruction": "我想知道这个分子的亲脂性,你能提供吗?",
|
1799 |
+
"input": "CC(C)CS(=O)(=O)N[C@H]1C[C@@H](N(C)c2ncnc3[nH]ccc23)C1",
|
1800 |
+
"output": "2.4"
|
1801 |
+
},
|
1802 |
+
{
|
1803 |
+
"instruction": "你能告诉我这个分子的亲脂性值吗?",
|
1804 |
+
"input": "O=C(CCCCCNCCc1ccc(O)c2nc(O)sc12)NCCc1ccccc1",
|
1805 |
+
"output": "1.29"
|
1806 |
+
},
|
1807 |
+
{
|
1808 |
+
"instruction": "我想知道这个分子的亲脂性,你能提供吗?",
|
1809 |
+
"input": "CCOc1nc(NC(=O)C(C)(C)NC(=O)c2ccc3c(C4CCCC4)c(-c4ccc(Cl)cn4)n(C)c3c2)ccc1/C=C/C(=O)O",
|
1810 |
+
"output": "4.4"
|
1811 |
+
},
|
1812 |
+
{
|
1813 |
+
"instruction": "请给我提供这个分子的logD。",
|
1814 |
+
"input": "COc1ccc2c(c1Cl)C(=O)N(Cc1c(C)cc(C)[nH]c1=O)CCC2",
|
1815 |
+
"output": "1.7"
|
1816 |
+
},
|
1817 |
+
{
|
1818 |
+
"instruction": "这个分子的亲脂性是多少?",
|
1819 |
+
"input": "COc1ccc2cc(CCC(C)=O)ccc2c1",
|
1820 |
+
"output": "3.18"
|
1821 |
+
},
|
1822 |
+
{
|
1823 |
+
"instruction": "你能告诉我这个分子的亲脂水平吗?",
|
1824 |
+
"input": "O=C(O)c1cccc(N2CCC(CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)c1",
|
1825 |
+
"output": "2.19"
|
1826 |
+
},
|
1827 |
+
{
|
1828 |
+
"instruction": "你能给我这个分子的亲脂性?",
|
1829 |
+
"input": "CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(Cl)cn2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1",
|
1830 |
+
"output": "1.46"
|
1831 |
+
},
|
1832 |
+
{
|
1833 |
+
"instruction": "这个分子的logD是多少?",
|
1834 |
+
"input": "CNCc1cc(-c2ccccc2CO)n(S(=O)(=O)c2cccnc2)c1",
|
1835 |
+
"output": "-0.3"
|
1836 |
+
},
|
1837 |
+
{
|
1838 |
+
"instruction": "请提供该分子的亲脂性。",
|
1839 |
+
"input": "C/C=C1/NC(=O)CC[C@H](C(=O)O)NC(=O)[C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@H](Cc2ccccc2)OC)NC(=O)[C@H](CCC/N=C2/N=C(c3ccccc3)C(O)N2)NC(=O)[C@@H](C)[C@H](C(=O)O)NC1=O",
|
1840 |
+
"output": "-4.8"
|
1841 |
+
},
|
1842 |
+
{
|
1843 |
+
"instruction": "你能给我这个分子的logD吗?",
|
1844 |
+
"input": "Nc1ccc(-c2ccc(/C=C3\\Oc4ccccc4C3=O)cc2)cn1",
|
1845 |
+
"output": "3.67"
|
1846 |
+
},
|
1847 |
+
{
|
1848 |
+
"instruction": "请提供该分子的亲脂水平。",
|
1849 |
+
"input": "CCN(CC)CCNC(=O)c1cc(I)c(N)cc1OC",
|
1850 |
+
"output": "1.62"
|
1851 |
+
},
|
1852 |
+
{
|
1853 |
+
"instruction": "这个分子的亲脂水平是多少?",
|
1854 |
+
"input": "C[n+]1ccn(COCCC[Si](C)(C)C)c1/C=N/O",
|
1855 |
+
"output": "0.43"
|
1856 |
+
},
|
1857 |
+
{
|
1858 |
+
"instruction": "我对这个分子的亲脂性很感兴趣,你能告诉我它是什么吗?",
|
1859 |
+
"input": "CC(C)(C)c1ccc(C(=O)Nc2cn3cc(Br)ccc3n2)cc1",
|
1860 |
+
"output": "4.17"
|
1861 |
+
},
|
1862 |
+
{
|
1863 |
+
"instruction": "你能给我这个分子的亲脂性?",
|
1864 |
+
"input": "Cc1cn([C@H]2CCCN([C@@H](CC(C)(C)C)c3ccc(C(=O)O)c(Oc4cccc(Br)c4)c3)C2)c(=O)[nH]c1=O",
|
1865 |
+
"output": "1.2"
|
1866 |
+
},
|
1867 |
+
{
|
1868 |
+
"instruction": "请提供该分子的logD。",
|
1869 |
+
"input": "CCC(C)(CC)C[C@H](c1ccc(C(=O)O)c(Oc2cccc(Br)c2)c1)N1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1",
|
1870 |
+
"output": "1.99"
|
1871 |
+
},
|
1872 |
+
{
|
1873 |
+
"instruction": "这个分子的logD是多少?",
|
1874 |
+
"input": "CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1",
|
1875 |
+
"output": "5.07"
|
1876 |
+
},
|
1877 |
+
{
|
1878 |
+
"instruction": "你能给我这个分子的亲脂水平吗?",
|
1879 |
+
"input": "Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1",
|
1880 |
+
"output": "2.77"
|
1881 |
+
},
|
1882 |
+
{
|
1883 |
+
"instruction": "我想知道这个分子的亲脂水平,你能提供吗?",
|
1884 |
+
"input": "CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1",
|
1885 |
+
"output": "3.8"
|
1886 |
+
},
|
1887 |
+
{
|
1888 |
+
"instruction": "这个分子的亲脂水平是多少?",
|
1889 |
+
"input": "CN(C)CCc1c[nH]c2ccc(Cc3ncn(C)n3)cc12",
|
1890 |
+
"output": "-1.01"
|
1891 |
+
},
|
1892 |
+
{
|
1893 |
+
"instruction": "你能告诉我这个分子的亲脂性吗?",
|
1894 |
+
"input": "COc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)c(F)c3)cnc2N)cn1",
|
1895 |
+
"output": "2.5"
|
1896 |
+
},
|
1897 |
+
{
|
1898 |
+
"instruction": "我对这个分子的logD很感兴趣,你能告诉我它是什么吗?",
|
1899 |
+
"input": "CCNCCN(CC)c1cc(-c2ccc(C(F)(F)F)cc2)c(C#N)c2nc3ccccc3n12",
|
1900 |
+
"output": "3.52"
|
1901 |
+
},
|
1902 |
+
{
|
1903 |
+
"instruction": "请提供该分子的logD。",
|
1904 |
+
"input": "Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-n3cnc(C)c3)cc2)cc1",
|
1905 |
+
"output": "4.08"
|
1906 |
+
},
|
1907 |
+
{
|
1908 |
+
"instruction": "你能给我这个分子的logD吗?",
|
1909 |
+
"input": "Cc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)cn1",
|
1910 |
+
"output": "1.8"
|
1911 |
+
},
|
1912 |
+
{
|
1913 |
+
"instruction": "这个分子的亲脂性是多少?",
|
1914 |
+
"input": "Cc1cc(OCCCN2CCCC2=O)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1",
|
1915 |
+
"output": "3.22"
|
1916 |
+
},
|
1917 |
+
{
|
1918 |
+
"instruction": "我对这个分子的亲脂性很感兴趣,你能告诉我它是什么吗?",
|
1919 |
+
"input": "CN(Cc1c(C(=O)N[C@@H]2CCC[C@H](O)C2)noc1-c1ccc(C(F)(F)F)cc1)[C@@H]1CCOC1",
|
1920 |
+
"output": "4.5"
|
1921 |
+
},
|
1922 |
+
{
|
1923 |
+
"instruction": "我对这个分子的logD很感兴趣,你能告诉我它是什么吗?",
|
1924 |
+
"input": "Cc1c(CN2CCCC2)cc(-c2ccc(Cl)cc2)n1CCCNc1ccnc2cc(Cl)ccc12",
|
1925 |
+
"output": "2.35"
|
1926 |
+
},
|
1927 |
+
{
|
1928 |
+
"instruction": "这个分子的logD是多少?",
|
1929 |
+
"input": "COc1cc2c(cc1OC)CN(CCCCNC(=O)c1cc(C)ccc1OC)CC2",
|
1930 |
+
"output": "2.83"
|
1931 |
+
},
|
1932 |
+
{
|
1933 |
+
"instruction": "我想知道这个分子的logD,你能提供吗?",
|
1934 |
+
"input": "COc1cc(O)c2c(c1C)C(=O)OCCCCC(=S)N[C@H](c1nc(C)no1)CSC2",
|
1935 |
+
"output": "3.09"
|
1936 |
+
},
|
1937 |
+
{
|
1938 |
+
"instruction": "我想知道这个分子的logD,你能提供吗?",
|
1939 |
+
"input": "C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO",
|
1940 |
+
"output": "1.46"
|
1941 |
+
},
|
1942 |
+
{
|
1943 |
+
"instruction": "你能告诉我这个分子亲脂性吗?",
|
1944 |
+
"input": "O=c1c2c([nH]c3cccc(Cl)c13)CCCC2",
|
1945 |
+
"output": "1.8"
|
1946 |
+
},
|
1947 |
+
{
|
1948 |
+
"instruction": "这个分子的logD是多少?",
|
1949 |
+
"input": "COc1ccc2c(=O)c3c([nH]c2c1)CC(C)(C)CC3",
|
1950 |
+
"output": "2.2"
|
1951 |
+
},
|
1952 |
+
{
|
1953 |
+
"instruction": "我对这个分子的亲脂水平很感兴趣,你能告诉我它是多少吗?",
|
1954 |
+
"input": "CCc1nc2nc(C)cc(Nc3ccc(C(F)(F)F)cc3)n2n1",
|
1955 |
+
"output": "3.0"
|
1956 |
+
},
|
1957 |
+
{
|
1958 |
+
"instruction": "你能给我这个分子的亲脂水平?",
|
1959 |
+
"input": "CC(C)(C)c1cc(C(=O)Nc2cccnc2)n(Cc2ccccc2)n1",
|
1960 |
+
"output": "3.8"
|
1961 |
+
},
|
1962 |
+
{
|
1963 |
+
"instruction": "请给我这个分子的亲脂水平。",
|
1964 |
+
"input": "C=CC(=O)Nc1cccc(Oc2nc(Nc3cnn(C)c3)nc3[nH]ccc23)c1",
|
1965 |
+
"output": "3.2"
|
1966 |
+
},
|
1967 |
+
{
|
1968 |
+
"instruction": "请给我提供这个分子的logD。",
|
1969 |
+
"input": "N#CC1(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCc3[nH]c4cc(F)ccc4c3C2)CC1",
|
1970 |
+
"output": "3.0"
|
1971 |
+
},
|
1972 |
+
{
|
1973 |
+
"instruction": "你能给我这个分子的亲脂水平吗?",
|
1974 |
+
"input": "CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](NS(C)(=O)=O)CC4)nc3cc2Cl)CC1",
|
1975 |
+
"output": "2.5"
|
1976 |
+
},
|
1977 |
+
{
|
1978 |
+
"instruction": "这个分子的亲脂性是多少?",
|
1979 |
+
"input": "Fc1ccc(-c2ncco2)c(C2Cc3nccn3C2)c1",
|
1980 |
+
"output": "2.3"
|
1981 |
+
},
|
1982 |
+
{
|
1983 |
+
"instruction": "我想知道这个分子的亲脂水平,你能提供吗?",
|
1984 |
+
"input": "C[C@@H]1CN(Cc2ccc(-n3ccnc3C(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)C[C@H](C)N1",
|
1985 |
+
"output": "0.82"
|
1986 |
+
},
|
1987 |
+
{
|
1988 |
+
"instruction": "这个分子的亲脂水平是多少?",
|
1989 |
+
"input": "CS(=O)(=O)Nc1ccc(Cc2noc(-c3ccc4[nH]cc(CCN)c4c3)n2)cc1",
|
1990 |
+
"output": "0.25"
|
1991 |
+
},
|
1992 |
+
{
|
1993 |
+
"instruction": "我想知道这个分子的logD,你能提供吗?",
|
1994 |
+
"input": "Nc1nc(O)c2[nH]c(N)c(Cc3ccsc3)c2n1",
|
1995 |
+
"output": "1.08"
|
1996 |
+
},
|
1997 |
+
{
|
1998 |
+
"instruction": "这个分子的亲脂水平是多少?",
|
1999 |
+
"input": "COc1cc(OC)c(S(=O)(=O)N2c3ccccc3CCC2C)cc1NC(=O)CCc1nn[nH]n1",
|
2000 |
+
"output": "-0.34"
|
2001 |
+
},
|
2002 |
+
{
|
2003 |
+
"instruction": "请提供该分子的亲脂水平。",
|
2004 |
+
"input": "COc1ccc(OC)c(S(=O)(=O)N(C)Cc2ccc(F)cc2)c1",
|
2005 |
+
"output": "3.7"
|
2006 |
+
},
|
2007 |
+
{
|
2008 |
+
"instruction": "请提供该分子的logD。",
|
2009 |
+
"input": "O=C(c1csc2ccccc12)N(CCc1ccc(Cl)cc1)C1CCC2(CC1)OCCO2",
|
2010 |
+
"output": "5.0"
|
2011 |
+
},
|
2012 |
+
{
|
2013 |
+
"instruction": "我想知道这个分子的logD,你能提供吗?",
|
2014 |
+
"input": "Cc1ncsc1CCOCCCS(=O)(=O)CCNCCc1ccc(O)c2nc(O)sc12",
|
2015 |
+
"output": "1.44"
|
2016 |
+
},
|
2017 |
+
{
|
2018 |
+
"instruction": "我���知道这个分子的logD,你能提供吗?",
|
2019 |
+
"input": "O=C1c2ccccc2CCN1CCCN1CCN(C2CCCCC2)CC1",
|
2020 |
+
"output": "1.49"
|
2021 |
+
},
|
2022 |
+
{
|
2023 |
+
"instruction": "我想知道这个分子的亲脂水平,你能提供吗?",
|
2024 |
+
"input": "O=C(C1CCN(C(=O)C(F)(F)F)CC1)N1N=CCC1c1ccccc1",
|
2025 |
+
"output": "4.9"
|
2026 |
+
},
|
2027 |
+
{
|
2028 |
+
"instruction": "这个分子的亲脂水平是多少?",
|
2029 |
+
"input": "COc1cc2c(cc1OC)C1CC(N)C(N3CCC(C)CC3=O)CN1CC2",
|
2030 |
+
"output": "-0.2"
|
2031 |
+
},
|
2032 |
+
{
|
2033 |
+
"instruction": "请提供该分子的亲脂水平。",
|
2034 |
+
"input": "O=C(NCC1CCN(Cc2ccc(NS(=O)(=O)C3CCCCC3)cc2)CC1)c1c[nH]c2ccccc12",
|
2035 |
+
"output": "0.5"
|
2036 |
+
},
|
2037 |
+
{
|
2038 |
+
"instruction": "你能给我这个分子的亲脂水平吗?",
|
2039 |
+
"input": "O=C(c1c(Cl)cccc1C(F)(F)F)c1nc([C@H]2CC[C@@H](C(=O)O)CC2)c2ccccn12",
|
2040 |
+
"output": "1.8"
|
2041 |
+
},
|
2042 |
+
{
|
2043 |
+
"instruction": "你能告诉我这个分子的亲脂水平值吗?",
|
2044 |
+
"input": "CCOc1cc(Cl)c(C(=O)NC(=O)Nc2nc3ccc(CN4CCN(C)CC4)cc3s2)cc1-c1ccn[nH]1",
|
2045 |
+
"output": "3.9"
|
2046 |
+
},
|
2047 |
+
{
|
2048 |
+
"instruction": "这个分子的亲脂水平是多少?",
|
2049 |
+
"input": "COc1cc(O)c2c(c1C)C(=O)OCC(=O)NCC(=S)N[C@H](c1nc(C)no1)CSC2",
|
2050 |
+
"output": "2.32"
|
2051 |
+
},
|
2052 |
+
{
|
2053 |
+
"instruction": "你能给我这个分子的亲脂水平?",
|
2054 |
+
"input": "CCN1Cc2cc(-c3nnn(-c4cccnc4F)c3C)ccc2C1=O",
|
2055 |
+
"output": "1.8"
|
2056 |
+
},
|
2057 |
+
{
|
2058 |
+
"instruction": "这个分子的亲脂水平是多少?",
|
2059 |
+
"input": "CCN(CCNC(=O)c1cnc2cc(I)ccc2n1)CCOCCOCCOCC[18F]",
|
2060 |
+
"output": "1.52"
|
2061 |
+
},
|
2062 |
+
{
|
2063 |
+
"instruction": "我对这个分子的亲脂水平很感兴趣,你能告诉我它是什么吗?",
|
2064 |
+
"input": "COc1cccc2c(=O)c3c([nH]c12)CC(C)(C)CC3",
|
2065 |
+
"output": "2.4"
|
2066 |
+
},
|
2067 |
+
{
|
2068 |
+
"instruction": "请给我这个分子的亲脂水平。",
|
2069 |
+
"input": "O=C(c1cc(C(F)(F)F)no1)N1CCC(c2cc3ncccc3[nH]2)C1",
|
2070 |
+
"output": "3.12"
|
2071 |
+
},
|
2072 |
+
{
|
2073 |
+
"instruction": "我想知道这个分子的亲脂水平,你能提供吗?",
|
2074 |
+
"input": "CCCC(Oc1cnc(-n2cc(C(F)(F)F)cn2)nc1)c1ccc(C(=O)NCCC(=O)O)cc1",
|
2075 |
+
"output": "1.5"
|
2076 |
+
},
|
2077 |
+
{
|
2078 |
+
"instruction": "请提供该分子的亲脂性。",
|
2079 |
+
"input": "Cc1cccnc1CN1CCC(Oc2ncnc3c2ccn3Cc2ccccc2)CC1",
|
2080 |
+
"output": "4.15"
|
2081 |
+
},
|
2082 |
+
{
|
2083 |
+
"instruction": "请提供该分子的logD。",
|
2084 |
+
"input": "C[C@@H](CO)Oc1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(C(=O)Nc2nccs2)c1",
|
2085 |
+
"output": "2.67"
|
2086 |
+
},
|
2087 |
+
{
|
2088 |
+
"instruction": "我需要知道这个分子的logD,你能提供吗?",
|
2089 |
+
"input": "c1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2ccc3[nH]cnc3c2)n1",
|
2090 |
+
"output": "2.5"
|
2091 |
+
},
|
2092 |
+
{
|
2093 |
+
"instruction": "我想知道这个分子的亲脂水平,你能提供吗?",
|
2094 |
+
"input": "Cc1nnc(C(C)C)n1C1CCN(C(C)C[C@H](NC(=O)CC2CC2)c2ccccc2)CC1",
|
2095 |
+
"output": "1.9"
|
2096 |
+
},
|
2097 |
+
{
|
2098 |
+
"instruction": "请给我提供这个分子的亲脂水平值。",
|
2099 |
+
"input": "CCNC(=O)c1ccc(Nc2nccc(N3C[C@H]4CC[C@H](C3)N4C(=O)C3CC3)n2)cc1",
|
2100 |
+
"output": "1.86"
|
2101 |
+
},
|
2102 |
+
{
|
2103 |
+
"instruction": "我想知道这个分子的亲脂水平,你能提供吗?",
|
2104 |
+
"input": "O=c1c2c([nH]c3c(F)c(F)ccc13)CCCC2",
|
2105 |
+
"output": "1.9"
|
2106 |
+
},
|
2107 |
+
{
|
2108 |
+
"instruction": "这个分子的亲脂性是多少?",
|
2109 |
+
"input": "Cc1cc(NCCN2CCCCC2)nc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc12",
|
2110 |
+
"output": "2.72"
|
2111 |
+
},
|
2112 |
+
{
|
2113 |
+
"instruction": "请提供该分子的亲脂性。",
|
2114 |
+
"input": "Cc1ccc2oc(N3CCN4CCC3CC4)nc2n1",
|
2115 |
+
"output": "0.36"
|
2116 |
+
},
|
2117 |
+
{
|
2118 |
+
"instruction": "这个分子的亲脂性是多少?",
|
2119 |
+
"input": "Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1",
|
2120 |
+
"output": "-2.17"
|
2121 |
+
},
|
2122 |
+
{
|
2123 |
+
"instruction": "我想知道这个分子的亲脂水平,你能提供吗?",
|
2124 |
+
"input": "CNC(=O)c1cccc2c1c(Sc1ccc(Cl)cc1)c(C)n2CC(=O)O",
|
2125 |
+
"output": "-0.9"
|
2126 |
+
},
|
2127 |
+
{
|
2128 |
+
"instruction": "我想知道这个分子的logD,你能提供吗?",
|
2129 |
+
"input": "Cc1cnn(CC(=O)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@](C)(O)CC[C@@H]5[C@H]4CC[C@]23C)c1",
|
2130 |
+
"output": "5.0"
|
2131 |
+
},
|
2132 |
+
{
|
2133 |
+
"instruction": "我需要知道这个分子的亲脂水平,你能提供吗?",
|
2134 |
+
"input": "Cc1cc(N[C@H]2C[C@@H]2c2ccccc2)n2nc(N[C@H](C)c3cccc(Cl)c3)nc2n1",
|
2135 |
+
"output": "4.9"
|
2136 |
+
},
|
2137 |
+
{
|
2138 |
+
"instruction": "请提供该分子的亲脂性值。",
|
2139 |
+
"input": "NC(=O)c1ccc(CCOCCCS(=O)(=O)CCNCCc2ccc(O)c3nc(O)sc23)cc1",
|
2140 |
+
"output": "1.1"
|
2141 |
+
},
|
2142 |
+
{
|
2143 |
+
"instruction": "这个分子的logD是多少?",
|
2144 |
+
"input": "CC(C)Oc1nc(C2CC2)c(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)s1",
|
2145 |
+
"output": "3.4"
|
2146 |
+
},
|
2147 |
+
{
|
2148 |
+
"instruction": "请给我提供这个分子的亲脂水平值。",
|
2149 |
+
"input": "CC(C)C[C@H](NC(=O)C1CCCN1c1nc2ccccc2c(=O)o1)C(N)=O",
|
2150 |
+
"output": "1.0"
|
2151 |
+
},
|
2152 |
+
{
|
2153 |
+
"instruction": "我需要知道这个分子的亲脂性,你能提供吗?",
|
2154 |
+
"input": "COC(=O)N1CCN([C@H]2CC[C@H](Nc3ncnc4[nH]cc(C5CCOCC5)c34)CC2)CC1",
|
2155 |
+
"output": "2.0"
|
2156 |
+
},
|
2157 |
+
{
|
2158 |
+
"instruction": "我想知道这个分子的亲脂水平,你能提供吗?",
|
2159 |
+
"input": "CCc1cc(N)cc2nc(N3CCCC3C(=O)N[C@@H](CC(C)C)C(N)=O)oc(=O)c12",
|
2160 |
+
"output": "1.6"
|
2161 |
+
},
|
2162 |
+
{
|
2163 |
+
"instruction": "这个分子的亲脂性是多少?",
|
2164 |
+
"input": "CC(=O)Oc1ccccc1C(=O)O",
|
2165 |
+
"output": "-2.57"
|
2166 |
+
},
|
2167 |
+
{
|
2168 |
+
"instruction": "你能给我这个分子的logD吗?",
|
2169 |
+
"input": "CC(C)c1nc(-c2cccc(S(C)(=O)=O)c2)c(-c2ccc(F)cc2)n1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-]",
|
2170 |
+
"output": "-0.6"
|
2171 |
+
},
|
2172 |
+
{
|
2173 |
+
"instruction": "我想知道这个分子的亲脂水平,你能提供吗?",
|
2174 |
+
"input": "C=CCN(C(=O)N(CCCl)N=O)C1CCCCC1",
|
2175 |
+
"output": "0.91"
|
2176 |
+
},
|
2177 |
+
{
|
2178 |
+
"instruction": "你能给我这个分子的亲脂水平吗?",
|
2179 |
+
"input": "CC(C#Cc1cccs1)n1[nH]c(=O)c2[nH]c3cc(Cl)ccc3c(=O)c2c1=O",
|
2180 |
+
"output": "2.4"
|
2181 |
+
},
|
2182 |
+
{
|
2183 |
+
"instruction": "请提供该分子的亲脂性。",
|
2184 |
+
"input": "Fc1cc(-c2cc([C@H]3C[C@H]4CC[C@H]3N4)cnc2Cl)ccn1",
|
2185 |
+
"output": "0.77"
|
2186 |
+
},
|
2187 |
+
{
|
2188 |
+
"instruction": "请提供该分子的logD值。",
|
2189 |
+
"input": "CCS(=O)(=O)N(Cc1cccnc1)c1cccc(-c2nc3ccccc3s2)c1",
|
2190 |
+
"output": "3.6"
|
2191 |
+
},
|
2192 |
+
{
|
2193 |
+
"instruction": "这个分子的logD是多少?",
|
2194 |
+
"input": "Cc1ncc(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(CC(C)C)n1",
|
2195 |
+
"output": "1.4"
|
2196 |
+
},
|
2197 |
+
{
|
2198 |
+
"instruction": "这个分子的亲脂水平是多少?",
|
2199 |
+
"input": "Cc1cc(N2CCN(C)CC2)n2nc(N[C@H](CC#N)c3cccc(Cl)c3)nc2n1",
|
2200 |
+
"output": "2.4"
|
2201 |
+
},
|
2202 |
+
{
|
2203 |
+
"instruction": "你能告诉我这个分子的logD值吗?",
|
2204 |
+
"input": "CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)N2CCC(Cc3ccccc3)CC2)CC1",
|
2205 |
+
"output": "3.7"
|
2206 |
+
},
|
2207 |
+
{
|
2208 |
+
"instruction": "这个分子的亲脂水平是多少?",
|
2209 |
+
"input": "CSc1nc2nc(C)cc(Nc3ccc(C(F)(F)F)cc3)n2n1",
|
2210 |
+
"output": "3.2"
|
2211 |
+
},
|
2212 |
+
{
|
2213 |
+
"instruction": "请提供该分子的logD。",
|
2214 |
+
"input": "CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1",
|
2215 |
+
"output": "4.4"
|
2216 |
+
},
|
2217 |
+
{
|
2218 |
+
"instruction": "这个分子的亲脂性是多少?",
|
2219 |
+
"input": "COc1ccc(NC(=N)c2cccs2)cc1COC1CCCC1",
|
2220 |
+
"output": "2.7"
|
2221 |
+
},
|
2222 |
+
{
|
2223 |
+
"instruction": "请提供该分子的logD。",
|
2224 |
+
"input": "CN(C)CCc1c[nH]c2ccc(-c3nc(Cc4ccc(NS(C)(=O)=O)cc4)no3)cc12",
|
2225 |
+
"output": "1.25"
|
2226 |
+
},
|
2227 |
+
{
|
2228 |
+
"instruction": "你能告诉我这个分子logD吗?",
|
2229 |
+
"input": "O=C(c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1",
|
2230 |
+
"output": "2.1"
|
2231 |
+
},
|
2232 |
+
{
|
2233 |
+
"instruction": "这个分子的亲脂性是多少?",
|
2234 |
+
"input": "N[C@H]1C[C@]1(F)c1ccc(Cl)cc1",
|
2235 |
+
"output": "2.23"
|
2236 |
+
},
|
2237 |
+
{
|
2238 |
+
"instruction": "你能告诉我这个分子亲脂性吗?",
|
2239 |
+
"input": "O=C(Nc1cc(Nc2c(Cl)cnc3c2OCO3)ccn1)C1CC1",
|
2240 |
+
"output": "2.7"
|
2241 |
+
},
|
2242 |
+
{
|
2243 |
+
"instruction": "请提供该分子的亲脂性。",
|
2244 |
+
"input": "CNCc1cc(-c2ncccc2C)n(S(=O)(=O)c2cccnc2)c1",
|
2245 |
+
"output": "0.53"
|
2246 |
+
},
|
2247 |
+
{
|
2248 |
+
"instruction": "请给我提供这个分子的亲脂性。",
|
2249 |
+
"input": "Cc1ncc(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(C2CCCC2)n1",
|
2250 |
+
"output": "2.0"
|
2251 |
+
},
|
2252 |
+
{
|
2253 |
+
"instruction": "你能给我这个分子的亲脂性?",
|
2254 |
+
"input": "CCN1CCN(Cc2cnc(-c3ccc(C(=O)Nc4ccccc4N)cc3)c(C#N)c2)CC1",
|
2255 |
+
"output": "1.14"
|
2256 |
+
},
|
2257 |
+
{
|
2258 |
+
"instruction": "我想知道这个分子的亲脂性,你能提供吗?",
|
2259 |
+
"input": "CC(C)CCc1sc(NC(=O)c2cc(NC(=O)c3cc(NC(=N)c4cccc(F)c4)cn3C)cn2C)nc1C(=O)NCCN1CCOCC1",
|
2260 |
+
"output": "4.51"
|
2261 |
+
},
|
2262 |
+
{
|
2263 |
+
"instruction": "你能给我这个分子的亲脂水平吗?",
|
2264 |
+
"input": "Cc1ccc(CO)cc1",
|
2265 |
+
"output": "1.8"
|
2266 |
+
},
|
2267 |
+
{
|
2268 |
+
"instruction": "你能给我这个分子的亲脂性吗?",
|
2269 |
+
"input": "COc1ccc(-c2cc(-c3cccc(S(C)(=O)=O)c3)cnc2N)cn1",
|
2270 |
+
"output": "2.3"
|
2271 |
+
},
|
2272 |
+
{
|
2273 |
+
"instruction": "请提供该分子的亲脂性。",
|
2274 |
+
"input": "COc1ccc(-c2cc(CC[C@](C)(C(=O)NO)S(C)(=O)=O)on2)c(F)c1",
|
2275 |
+
"output": "1.23"
|
2276 |
+
},
|
2277 |
+
{
|
2278 |
+
"instruction": "请提供该分子的logD值。",
|
2279 |
+
"input": "Cc1cc(C(=O)[O-])nn1C(C)c1cc(Cl)ccc1OCc1ccccc1",
|
2280 |
+
"output": "1.0"
|
2281 |
+
},
|
2282 |
+
{
|
2283 |
+
"instruction": "请提供该分子的亲脂性。",
|
2284 |
+
"input": "COc1ccc2[nH]c(C3CCCN(C(=O)c4ccc(F)cc4)C3)cc2n1",
|
2285 |
+
"output": "3.39"
|
2286 |
+
},
|
2287 |
+
{
|
2288 |
+
"instruction": "这个分子的亲脂性是多少?",
|
2289 |
+
"input": "COCc1c(Cl)ccc2c1CC[C@H]2c1ncc[nH]1",
|
2290 |
+
"output": "2.6"
|
2291 |
+
},
|
2292 |
+
{
|
2293 |
+
"instruction": "我想知道这个分子的logD,你能提供吗?",
|
2294 |
+
"input": "CN1C(=O)[C@H](NC(=O)Nc2ccc3c(c2)N(c2nn[nH]n2)CC3)N=C(c2ccccc2)c2ccccc21",
|
2295 |
+
"output": "1.38"
|
2296 |
+
},
|
2297 |
+
{
|
2298 |
+
"instruction": "我对这个分子的logD很感兴趣,你能告诉我它是多少吗?",
|
2299 |
+
"input": "c1ccc2ccccc2c1",
|
2300 |
+
"output": "3.33"
|
2301 |
+
},
|
2302 |
+
{
|
2303 |
+
"instruction": "我想知道这个分子的logD,你能提供吗?",
|
2304 |
+
"input": "CCCC/C(C)=C/C=C(\\C)C(=O)c1c(O)cc(C(C)CC/C=C/NC(=O)OC)oc1=O",
|
2305 |
+
"output": "-0.3"
|
2306 |
+
},
|
2307 |
+
{
|
2308 |
+
"instruction": "请提供该分子的logD值。",
|
2309 |
+
"input": "COc1ccc(NC(=N)c2ccncc2)cc1CSC1CCCC1",
|
2310 |
+
"output": "2.9"
|
2311 |
+
},
|
2312 |
+
{
|
2313 |
+
"instruction": "请提供该分子的logD。",
|
2314 |
+
"input": "CC1CN(C)C(C)c2cc(C=O)[nH]c21",
|
2315 |
+
"output": "0.69"
|
2316 |
+
},
|
2317 |
+
{
|
2318 |
+
"instruction": "请给我这个分子的logD。",
|
2319 |
+
"input": "CCN1C(=O)C2(CCCN(C3CCN(C(=O)c4c(NC(N)=O)sc5ccccc45)CC3)C2)N=C1C",
|
2320 |
+
"output": "1.77"
|
2321 |
+
},
|
2322 |
+
{
|
2323 |
+
"instruction": "这个分子的亲脂性是多少?",
|
2324 |
+
"input": "O=C(NC[C@H]1CC[C@]2(CC1)OO[C@]1(O2)C2CC3CC(C2)CC1C3)c1ccccn1",
|
2325 |
+
"output": "5.6"
|
2326 |
+
},
|
2327 |
+
{
|
2328 |
+
"instruction": "请给我提供这个分子的亲脂水平。",
|
2329 |
+
"input": "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)O)CC3OC1CC(N2CCOCC2)C(O)C(C)O1",
|
2330 |
+
"output": "2.03"
|
2331 |
+
},
|
2332 |
+
{
|
2333 |
+
"instruction": "我想知道这个分子的亲脂水平,你能提供吗?",
|
2334 |
+
"input": "COCC(=O)NC1CCN(Cc2cc3nc(-c4cccc5[nH]ccc45)nc(N4CCOCC4)c3s2)CC1",
|
2335 |
+
"output": "4.3"
|
2336 |
+
},
|
2337 |
+
{
|
2338 |
+
"instruction": "你能给我这个分子的logD吗?",
|
2339 |
+
"input": "O=C(O)CCc1ccc(OCc2ccccc2)cc1",
|
2340 |
+
"output": "1.96"
|
2341 |
+
},
|
2342 |
+
{
|
2343 |
+
"instruction": "这个分子的logD是多少?",
|
2344 |
+
"input": "Cc1cccc(C)c1CNc1nc(N2CCCC2=O)cc2c(C)c(C)[nH]c12",
|
2345 |
+
"output": "3.77"
|
2346 |
+
},
|
2347 |
+
{
|
2348 |
+
"instruction": "你能给我这个分子的logD吗?",
|
2349 |
+
"input": "Cc1cccc(C)c1CNc1nc(-c2ccccc2)cc2c(C)c(C)[nH]c12",
|
2350 |
+
"output": "5.31"
|
2351 |
+
},
|
2352 |
+
{
|
2353 |
+
"instruction": "这个分子的亲脂性是多少?",
|
2354 |
+
"input": "CC(Oc1ccccc1F)C(=O)Nc1ccc(OCC(=O)O)c(F)c1",
|
2355 |
+
"output": "0.07"
|
2356 |
+
},
|
2357 |
+
{
|
2358 |
+
"instruction": "我想知道这个分子的亲脂性,你能提供吗?",
|
2359 |
+
"input": "CC1(C)N=C(N)N=C(N)N1c1cccc(O)c1",
|
2360 |
+
"output": "-3.67"
|
2361 |
+
},
|
2362 |
+
{
|
2363 |
+
"instruction": "请提供该分子的logD。",
|
2364 |
+
"input": "CCN(CC)CCCNc1cc(-c2ccccc2)c(C#N)c2nc3ccccc3n12",
|
2365 |
+
"output": "2.0"
|
2366 |
+
},
|
2367 |
+
{
|
2368 |
+
"instruction": "我想知道这个分子的logD,你能提供吗?",
|
2369 |
+
"input": "Cc1nnc(C(C)C)n1C1CCN(C(C)C[C@H](NC(=O)C2CCC(F)(F)CC2)c2ccccc2)CC1",
|
2370 |
+
"output": "2.0"
|
2371 |
+
},
|
2372 |
+
{
|
2373 |
+
"instruction": "请给我这个分子的亲脂性。",
|
2374 |
+
"input": "N[C@@H]1CCN(c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)C1",
|
2375 |
+
"output": "0.86"
|
2376 |
+
},
|
2377 |
+
{
|
2378 |
+
"instruction": "请给我这个分子的logD。",
|
2379 |
+
"input": "CNC(=O)c1cc(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)cc(C(CC#N)c2ccccc2)n1",
|
2380 |
+
"output": "3.1"
|
2381 |
+
},
|
2382 |
+
{
|
2383 |
+
"instruction": "你能告诉我这个分子的logD值吗?",
|
2384 |
+
"input": "C[C@@H](Oc1cc2onc(CCC(=O)O)c2cc1Cl)c1ccc(F)cn1",
|
2385 |
+
"output": "2.47"
|
2386 |
+
},
|
2387 |
+
{
|
2388 |
+
"instruction": "你能给我这个分子的亲脂水平吗?",
|
2389 |
+
"input": "NC(=O)c1cc(NC(=O)c2cc(-c3cccc(C(F)F)n3)ccc2Cl)n(-c2ccccc2)n1",
|
2390 |
+
"output": "3.5"
|
2391 |
+
},
|
2392 |
+
{
|
2393 |
+
"instruction": "请给我提供这个分子的亲脂水平。",
|
2394 |
+
"input": "C[C@H](CCC(O)(P(=O)(O)O)P(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C",
|
2395 |
+
"output": "-3.34"
|
2396 |
+
},
|
2397 |
+
{
|
2398 |
+
"instruction": "请提供该分子的亲脂水平。",
|
2399 |
+
"input": "Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cc(-c3ccc4ncccc4c3)[nH]n2)cc1",
|
2400 |
+
"output": "5.2"
|
2401 |
+
},
|
2402 |
+
{
|
2403 |
+
"instruction": "这个分子的logD是多少?",
|
2404 |
+
"input": "COc1cc2ncnc(Oc3ccc(NC(=O)Cn4nnc(C(C)C)n4)cc3)c2cc1OC",
|
2405 |
+
"output": "3.0"
|
2406 |
+
},
|
2407 |
+
{
|
2408 |
+
"instruction": "我想知道这个分子的logD,你能提供吗?",
|
2409 |
+
"input": "CN(Cc1nc2ccccc2c(=O)[nH]1)Cc1nc(-c2ccccc2)no1",
|
2410 |
+
"output": "3.1"
|
2411 |
+
},
|
2412 |
+
{
|
2413 |
+
"instruction": "你能给我这个分子的亲脂水平?",
|
2414 |
+
"input": "CCNC(=O)Nc1sc2ncccc2c1C(=O)N1CCC(N2CCCC3(C2)CC(C)(C)OC3=O)CC1",
|
2415 |
+
"output": "2.08"
|
2416 |
+
},
|
2417 |
+
{
|
2418 |
+
"instruction": "我需要知道这个分子的亲脂性,你能提供吗?",
|
2419 |
+
"input": "CC(C)(O)C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1-c1cn[nH]c1",
|
2420 |
+
"output": "1.8"
|
2421 |
+
},
|
2422 |
+
{
|
2423 |
+
"instruction": "我对这个分子的logD很感兴趣,你能告诉我它是多少吗?",
|
2424 |
+
"input": "CC(C)(O)C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1C#N",
|
2425 |
+
"output": "1.6"
|
2426 |
+
},
|
2427 |
+
{
|
2428 |
+
"instruction": "你能给我这个分子的亲脂性吗?",
|
2429 |
+
"input": "CC[C@]1(C)NC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3F)ccc2NC1=O",
|
2430 |
+
"output": "1.7"
|
2431 |
+
},
|
2432 |
+
{
|
2433 |
+
"instruction": "这个分子的亲脂性是多少?",
|
2434 |
+
"input": "Cc1cccc(N(C)C(=S)Oc2ccc3ccccc3c2)c1",
|
2435 |
+
"output": "5.4"
|
2436 |
+
},
|
2437 |
+
{
|
2438 |
+
"instruction": "请提供该分子的logD。",
|
2439 |
+
"input": "O=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2CCCC2=O)CC1",
|
2440 |
+
"output": "1.96"
|
2441 |
+
},
|
2442 |
+
{
|
2443 |
+
"instruction": "请给我这个分子的logD。",
|
2444 |
+
"input": "Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-n2ccnn2)cc1",
|
2445 |
+
"output": "1.97"
|
2446 |
+
},
|
2447 |
+
{
|
2448 |
+
"instruction": "我需要知道这个分子的logD,你能提供吗?",
|
2449 |
+
"input": "COC1CCN(c2nccc(Nc3cc4c(cn3)ncn4C(C)C)n2)CC1",
|
2450 |
+
"output": "2.5"
|
2451 |
+
},
|
2452 |
+
{
|
2453 |
+
"instruction": "这个分子的亲脂水平是多少?",
|
2454 |
+
"input": "CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1",
|
2455 |
+
"output": "0.97"
|
2456 |
+
},
|
2457 |
+
{
|
2458 |
+
"instruction": "我对这个分子的亲脂性很感兴趣,你能告诉我它是什么吗?",
|
2459 |
+
"input": "CNc1nc(NCCCN(C)C)c2sc(-c3ccc(C(F)(F)F)cc3Cl)cc2n1",
|
2460 |
+
"output": "4.5"
|
2461 |
+
},
|
2462 |
+
{
|
2463 |
+
"instruction": "我想知道这个分子的亲脂水平,你能提供吗?",
|
2464 |
+
"input": "CN1CCN(c2cc(NCC(C)(C)C)ncn2)CC1",
|
2465 |
+
"output": "1.75"
|
2466 |
+
},
|
2467 |
+
{
|
2468 |
+
"instruction": "这个分子的亲脂水平是多少?",
|
2469 |
+
"input": "CNCc1cc(-c2cccnc2F)n(S(=O)(=O)c2ccsc2)c1",
|
2470 |
+
"output": "-0.83"
|
2471 |
+
},
|
2472 |
+
{
|
2473 |
+
"instruction": "你能告诉我这个分子的亲脂水平值吗?",
|
2474 |
+
"input": "CC(C)=CCc1c(O)cc(O)c2c1O[C@@]13C(=C[C@H]4C(=O)C1(CC=C(C)C)OC[C@@H]3[C@H]4COC(=O)Cc1ccccc1)C2=O",
|
2475 |
+
"output": "5.1"
|
2476 |
+
},
|
2477 |
+
{
|
2478 |
+
"instruction": "请给我提供这个分子的logD。",
|
2479 |
+
"input": "COc1ccc(C(=O)O)cc1-c1ccc(C#CCO)s1",
|
2480 |
+
"output": "0.79"
|
2481 |
+
},
|
2482 |
+
{
|
2483 |
+
"instruction": "我想知道这个分子的亲脂性,你能提供吗?",
|
2484 |
+
"input": "Cc1nn(Cc2ccncc2)c(-c2ccc(F)cc2)c1-c1ccc2c(c1)NC(=O)CO2",
|
2485 |
+
"output": "2.2"
|
2486 |
+
},
|
2487 |
+
{
|
2488 |
+
"instruction": "我想知道这个分子的亲脂性,你能提供吗?",
|
2489 |
+
"input": "Cc1nc2cc3ccccc3cc2c(=O)o1",
|
2490 |
+
"output": "2.8"
|
2491 |
+
},
|
2492 |
+
{
|
2493 |
+
"instruction": "这个分子的logD是多少?",
|
2494 |
+
"input": "CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cn(C)cn1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1",
|
2495 |
+
"output": "3.71"
|
2496 |
+
},
|
2497 |
+
{
|
2498 |
+
"instruction": "我想知道这个分子的亲脂水平,你能提供吗?",
|
2499 |
+
"input": "C[C@@H](Oc1ccc(C(F)(F)F)cc1-c1cccc(C#N)c1)C(=O)O",
|
2500 |
+
"output": "0.2"
|
2501 |
+
}
|
2502 |
+
]
|
sft/test/admet_reg_en.json
ADDED
The diff for this file is too large to render.
See raw diff
|
|
sft/test/choice_formula_500_val.csv
ADDED
The diff for this file is too large to render.
See raw diff
|
|
sft/test/choice_herb_500_custom_20240407.csv
ADDED
The diff for this file is too large to render.
See raw diff
|
|
sft/test/medical_case_500_val.json
ADDED
The diff for this file is too large to render.
See raw diff
|
|
sft/test/ner_480.json
ADDED
The diff for this file is too large to render.
See raw diff
|
|
sft/test/rc_500.json
ADDED
The diff for this file is too large to render.
See raw diff
|
|
sft/test/recommend_500.json
ADDED
The diff for this file is too large to render.
See raw diff
|
|