diff --git a/chemlactica/config/config_yamls/galactica_125m_sft_config.yaml b/chemlactica/config/config_yamls/galactica_125m_sft_config.yaml index b2041b2..90aa65d 100644 --- a/chemlactica/config/config_yamls/galactica_125m_sft_config.yaml +++ b/chemlactica/config/config_yamls/galactica_125m_sft_config.yaml @@ -6,7 +6,7 @@ train_config: eval_step: 256 global_gradient_norm: 1.0 learning_rate_decay: 0.1 - max_learning_rate: 2.0e-5 + max_learning_rate: 1.0e-4 warmup_steps: 0 weight_decay: 0.1 bf16: true @@ -27,4 +27,5 @@ model_config: block_size: 2048 vocab_size: 50000 separator_token: + separator_token_id: 2 tokenizer_path: "./chemlactica/tokenizer/ChemLacticaTokenizer66" diff --git a/chemlactica/config/config_yamls/gemma_2b_sft_config.yaml b/chemlactica/config/config_yamls/gemma_2b_sft_config.yaml index e0a90c7..f633324 100644 --- a/chemlactica/config/config_yamls/gemma_2b_sft_config.yaml +++ b/chemlactica/config/config_yamls/gemma_2b_sft_config.yaml @@ -6,15 +6,15 @@ train_config: eval_step: 256 global_gradient_norm: 1.0 learning_rate_decay: 0.1 - max_learning_rate: 2.0e-5 - warmup_steps: 0 + max_learning_rate: 1.0e-4 + warmup_steps: 305 weight_decay: 0.1 bf16: true bf16_full_eval: true fp16: false tf32: true evaluation_strategy: "steps" - save_total_limit: 4 + save_total_limit: 8 grad_accumulation_scheduler: false dynamic_grad_accumulation: false grad_accumulation_patience: 4000 diff --git a/chemlactica/config/default_train_config.py b/chemlactica/config/default_train_config.py index 06b83c7..68fde07 100644 --- a/chemlactica/config/default_train_config.py +++ b/chemlactica/config/default_train_config.py @@ -42,5 +42,5 @@ class TrainConfig: @dataclass class SFTTrainConfig: packing: bool = False - max_seq_length: int = 512 - neftune_noise_alpha: int = 0 + max_seq_length: int = 64 + neftune_noise_alpha: int = 10 diff --git a/chemlactica/get_trainer.py b/chemlactica/get_trainer.py index fcb16fd..c55fe21 100644 --- a/chemlactica/get_trainer.py +++ b/chemlactica/get_trainer.py @@ -25,7 +25,7 @@ def get_trainer(train_type, model, dataset, training_args, evaluate_only, slurm_ elif train_type == "sft": sft_config = SFTTrainConfig() tokenizer = get_tokenizer(training_args.tokenizer_path) - response_template = "[PROPERTY]activity " + response_template = tokenizer.encode("[PROPERTY]activity") collator = DataCollatorForCompletionOnlyLM( response_template, tokenizer=tokenizer ) diff --git a/chemlactica/train.py b/chemlactica/train.py index 2b43e34..7a19235 100644 --- a/chemlactica/train.py +++ b/chemlactica/train.py @@ -66,6 +66,7 @@ def train( dir_data_types, valid_data_dir, learning_rate, + warmup_steps, scheduler_max_steps, eval_steps, save_steps, @@ -115,7 +116,6 @@ def train( gradient_checkpointing=gradient_checkpointing, auth_token=auth_token, ) - # special_tokens = get_tokenizer_special_tokens(model_config.tokenizer_path) # print(f"{len(special_tokens)} {special_tokens} additional special tokens.") tokenizer_length = get_tokenizer_length(model_config) @@ -237,7 +237,7 @@ def train( weight_decay=train_config.weight_decay, adam_beta1=train_config.adam_beta1, adam_beta2=train_config.adam_beta2, - warmup_steps=train_config.warmup_steps, + warmup_steps=warmup_steps if warmup_steps else train_config.warmup_steps, max_grad_norm=train_config.global_gradient_norm, evaluation_strategy=train_config.evaluation_strategy, max_steps=scheduler_max_steps, @@ -285,7 +285,7 @@ def train( ) if train_type == "sft": trainer_callback_dict["SFT numerical evaluation"] = SFTNumericalEval( - dataset, aim_callback + dataset, aim_callback, model_config.separator_token ) elif train_type == "pretrain": if train_config.grad_accumulation_scheduler: diff --git a/chemlactica/utils/callbacks.py b/chemlactica/utils/callbacks.py index 30f98ff..01b96cf 100644 --- a/chemlactica/utils/callbacks.py +++ b/chemlactica/utils/callbacks.py @@ -341,10 +341,11 @@ def on_step_end(self, args, state, control, **kwargs): class SFTNumericalEval(TrainerCallback): - def __init__(self, dataset, aim_callback) -> None: + def __init__(self, dataset, aim_callback, separator_token) -> None: super().__init__() self.dataset = dataset self.aim = aim_callback + self.separator_token = separator_token def on_evaluate( self, @@ -358,11 +359,20 @@ def on_evaluate( super().on_evaluate(args, state, control, **kwargs) model.eval() ground_truths, gens, diffs = [], [], [] + eos_token_id = tokenizer.encode("[/PROPERTY]")[0] for sample in self.dataset["validation"]: ground_truth = round(sample["activity"], 2) - prompt = f"[START_SMILES]{sample['smiles']}[END_SMILES][PROPERTY]activity " + prompt = ( + f"{self.separator_token}[START_SMILES]{sample['smiles']}" + "[END_SMILES][PROPERTY]activity" + ) prompt = tokenizer(prompt, return_tensors="pt").to(model.device) - out = model.generate(prompt.input_ids, do_sample=False, max_length=100) + out = model.generate( + prompt.input_ids, + do_sample=False, + eos_token_id=eos_token_id, + max_new_tokens=100, + ) out = tokenizer.batch_decode(out)[0] try: gen = out[ diff --git a/chemlactica/utils/dataset_utils.py b/chemlactica/utils/dataset_utils.py index 08e77fd..76be8e9 100644 --- a/chemlactica/utils/dataset_utils.py +++ b/chemlactica/utils/dataset_utils.py @@ -203,8 +203,8 @@ def sft_formatting_prompts_func(example): output_texts = [] for i in range(len(example["smiles"])): text = ( - f"[START_SMILES]{example['smiles'][i]}[END_SMILES]" - f"[PROPERTY]activity {round(example['activity'][i], 2)}[/PROPERTY]" + f"[START_SMILES]{example['smiles'][i]}[END_SMILES]" + "[PROPERTY]activity {round(example['activity'][i], 2)}[/PROPERTY]" ) output_texts.append(text) return output_texts diff --git a/chemlactica/utils/parseargs.py b/chemlactica/utils/parseargs.py index 59073a1..8bcd68b 100644 --- a/chemlactica/utils/parseargs.py +++ b/chemlactica/utils/parseargs.py @@ -55,13 +55,22 @@ def init_parser(): ) parser.add_argument( "--learning_rate", - type=int, + type=float, metavar="LR", dest="learning_rate", required=False, default=None, help="learning rate", ) + parser.add_argument( + "--warmup", + type=int, + metavar="WA", + dest="warmup_steps", + required=False, + default=None, + help="warmup steps", + ) parser.add_argument( "--max_steps", type=int, diff --git a/chemlactica/utils/utils.py b/chemlactica/utils/utils.py index 401fed2..fea5ecb 100644 --- a/chemlactica/utils/utils.py +++ b/chemlactica/utils/utils.py @@ -43,6 +43,7 @@ def get_tokenizer(tokenizer_path): def create_tokenizer(tokenizer_path): tok = AutoTokenizer.from_pretrained(tokenizer_path) tok.add_bos_token = False + tok.padding_side = "right" print(f"Process {os.getpid()} created a tokenizer") return tok diff --git a/environment.yml b/environment.yml index 5d80ec2..21b05d3 100644 --- a/environment.yml +++ b/environment.yml @@ -1,4 +1,4 @@ -name: cl11.9_t_4.39 +name: gemma_env_new channels: - pytorch - nvidia @@ -180,6 +180,8 @@ dependencies: - backoff==2.2.1 - base58==2.0.1 - bitsandbytes==0.43.0 + - boto3==1.34.84 + - botocore==1.34.84 - cachetools==5.3.3 - certifi==2024.2.2 - cffi==1.16.0 @@ -208,6 +210,7 @@ dependencies: - huggingface-hub==0.22.2 - identify==2.5.35 - idna==3.6 + - jmespath==1.0.1 - joblib==1.3.2 - kiwisolver==1.4.5 - mako==1.3.2 @@ -239,6 +242,7 @@ dependencies: - requests==2.31.0 - restrictedpython==7.1 - rich==13.7.1 + - s3transfer==0.10.1 - safetensors==0.4.2 - scikit-learn==1.4.1.post1 - scipy==1.12.0 @@ -253,7 +257,7 @@ dependencies: - tokenizers==0.15.2 - tqdm==4.66.2 - transformers==4.39.0 - - trl==0.8.1 + - trl==0.8.6 - tyro==0.7.3 - tzdata==2024.1 - urllib3==2.2.1 @@ -262,4 +266,4 @@ dependencies: - xmltodict==0.13.0 - xxhash==3.4.1 - yarl==1.9.4 -prefix: /home/philipp/miniforge3/envs/cl11.9_t_4.39 +prefix: /auto/home/menuab/miniforge3/envs/gemma_env_new diff --git a/local_submit_files/submit_run_HLM.py b/local_submit_files/submit_run_HLM.py new file mode 100644 index 0000000..1bdbe9e --- /dev/null +++ b/local_submit_files/submit_run_HLM.py @@ -0,0 +1,133 @@ +import sys +from contextlib import contextmanager +from datetime import datetime +import submitit + +use_accelerate = False +rsync_enabled = False +executor_name = "slurm" # options are ["slurm", "local"] +root_path = "" +num_gpus = 1 +# model_name = "gemma" +# model_size = "2b" +model_name = "galactica" +model_size = "125m" +train_type = "sft" +train_name = "_".join([model_name, model_size, train_type]) +job_name = "HLM_chem_3wu_32bs_15ep_1e4_nef20" + +slurm_params = { + "slurm_job_name": job_name, + "timeout_min": 60 * 3, + "nodes": 1, + "tasks_per_node": 1, + "gpus_per_node": num_gpus, + "cpus_per_task": num_gpus * 8, + "mem_gb": num_gpus * 40.0 + 20.0, + "stderr_to_stdout": True, +} + +accelerate_config = {"num_processes": num_gpus} + +env_variables = { + "TOKENIZERS_PARALLELISM": "true", + "CUDA_VISIBLE_DEVICES": "0, 1, 2, 3, 4, 5, 6, 7", + # "CUDA_VISIBLE_DEVICES": "3", +} + +cli_arguments = { + "train_type": train_type, + # "from_pretrained": "/nfs/dgx/raid/chem/checkpoints/facebook/"\ + # "galactica-125m/9954e52e400b43d18d3a40f6/checkpoint-20480", + # "from_pretrained": "/nfs/dgx/raid/chem/checkpoints/facebook/"\ + # "galactica-125m/1f289ff103034364bd27e1c3/checkpoint-18000/", + # "from_pretrained": "/nfs/dgx/raid/chem/checkpoints/google/"\ + # "gemma-2b/d6e6a76e91814ad68d5fa264/checkpoint-11000", + # "from_pretrained": "/nfs/dgx/raid/chem/checkpoints/h100/"\ + # "google/gemma-2b/0717d445bcf44e31b2887892/checkpoint-12000", + "from_pretrained": "/nfs/dgx/raid/chem/checkpoints/h100/" + "google/gemma-2b/0717d445bcf44e31b2887892/checkpoint-18000", + "model_config": train_name, + "dir_data_types": "computed", + "training_data_dirs": "/auto/home/menuab/code/sft_data/ADME_HLM", + "valid_data_dir": "", + # "max_steps":120000, + "num_train_epochs": 15, + "learning_rate": 0.0001, + "warmup": 180, + "eval_steps": 60, + "save_steps": 2440, + "train_batch_size": 32, + "valid_batch_size": 32, + "dataloader_num_workers": 1, + "experiment_name": job_name, + "checkpoints_root_dir": "/nfs/dgx/raid/chem/checkpoints/", + "flash_attn": False, + "track": True, + "track_dir": "/nfs/dgx/raid/chem/aim/", + # "profile":, + # "profile_dir":, + # "gradient_accumulation_steps":, + # "gradient_checkpointing":, + # "evaluate_only":, + # "check_reproducability":, +} + + +def get_command(use_accelerate): + python_executable = sys.executable + command = [python_executable] + if use_accelerate: + accelerate_path = "chemlactica/config/accelerate_config.yaml" + command.extend( + f"-m accelerate.commands.launch --config_file {accelerate_path}".split(" ") + ) + for k, v in accelerate_config.items(): + command.append(f"--{k}={v}") + command.append("chemlactica/train.py") + for x, y in cli_arguments.items(): + if isinstance(y, bool): + if y: + command.append(f"--{x}") + else: + command.append(f"--{x}={y}") + + print(f'command being executed: {" ".join(command)}') + return command + + +@contextmanager +def conditional_context_manager(rsync_enabled, repo_path): + if rsync_enabled: + with submitit.helpers.RsyncSnapshot(repo_path) as cm: + yield cm + else: + yield None + + +def get_executor(executor_name, logs_path): + if executor_name == "slurm": + executor = submitit.AutoExecutor(folder=logs_path) + elif executor_name == "local": + executor = submitit.local.local.LocalExecutor(folder=logs_path) + return executor + + +if __name__ == "__main__": + logs_path = "submitit_logs/%j" + logs_path = "/nfs/dgx/raid/chem/" + logs_path if rsync_enabled else logs_path + repo_path = ( + "/nfs/dgx/raid/chem/rsyncsnapshots/" + f"{train_name}-{datetime.now().strftime('%Y-%m-%d-%H:%M')}" + ) + + with conditional_context_manager(rsync_enabled, repo_path): + command = get_command(use_accelerate) + executor = get_executor(executor_name, logs_path) + executor.update_parameters(**slurm_params) + print("train_name: ", train_name) + print("logs_path: ", logs_path) + print("repo path: ", repo_path) + function = submitit.helpers.CommandFunction(command, env=env_variables) + job = executor.submit(function) + # print(job.result()) diff --git a/local_submit_files/submit_run_MD1.py b/local_submit_files/submit_run_MD1.py new file mode 100644 index 0000000..1b0ee5e --- /dev/null +++ b/local_submit_files/submit_run_MD1.py @@ -0,0 +1,133 @@ +import sys +from contextlib import contextmanager +from datetime import datetime +import submitit + +use_accelerate = False +rsync_enabled = False +executor_name = "slurm" # options are ["slurm", "local"] +root_path = "" +num_gpus = 1 +# model_name = "gemma" +# model_size = "2b" +model_name = "galactica" +model_size = "125m" +train_type = "sft" +train_name = "_".join([model_name, model_size, train_type]) +job_name = "MD1_chem_3wu_32bs_15ep_1e4_nef20" + +slurm_params = { + "slurm_job_name": job_name, + "timeout_min": 60 * 3, + "nodes": 1, + "tasks_per_node": 1, + "gpus_per_node": num_gpus, + "cpus_per_task": num_gpus * 8, + "mem_gb": num_gpus * 40.0 + 20.0, + "stderr_to_stdout": True, +} + +accelerate_config = {"num_processes": num_gpus} + +env_variables = { + "TOKENIZERS_PARALLELISM": "true", + "CUDA_VISIBLE_DEVICES": "0, 1, 2, 3, 4, 5, 6, 7", + # "CUDA_VISIBLE_DEVICES": "4", +} + +cli_arguments = { + "train_type": train_type, + # "from_pretrained": "/nfs/dgx/raid/chem/checkpoints/facebook/"\ + # "galactica-125m/9954e52e400b43d18d3a40f6/checkpoint-20480", + # "from_pretrained": "/nfs/dgx/raid/chem/checkpoints/facebook/"\ + # "galactica-125m/1f289ff103034364bd27e1c3/checkpoint-18000/", + # "from_pretrained": "/nfs/dgx/raid/chem/checkpoints/google/"\ + # "gemma-2b/d6e6a76e91814ad68d5fa264/checkpoint-11000", + # "from_pretrained": "/nfs/dgx/raid/chem/checkpoints/h100/"\ + # "google/gemma-2b/0717d445bcf44e31b2887892/checkpoint-12000", + "from_pretrained": "/nfs/dgx/raid/chem/checkpoints/h100/" + "google/gemma-2b/0717d445bcf44e31b2887892/checkpoint-18000", + "model_config": train_name, + "dir_data_types": "computed", + "training_data_dirs": "/auto/home/menuab/code/sft_data/ADME_MD1", + "valid_data_dir": "", + # "max_steps":120000, + "num_train_epochs": 15, + "learning_rate": 0.0001, + "warmup": 160, + "eval_steps": 105, + "save_steps": 2440, + "train_batch_size": 32, + "valid_batch_size": 32, + "dataloader_num_workers": 1, + "experiment_name": job_name, + "checkpoints_root_dir": "/nfs/dgx/raid/chem/checkpoints/", + "flash_attn": False, + "track": True, + "track_dir": "/nfs/dgx/raid/chem/aim/", + # "profile":, + # "profile_dir":, + # "gradient_accumulation_steps":, + # "gradient_checkpointing":, + # "evaluate_only":, + # "check_reproducability":, +} + + +def get_command(use_accelerate): + python_executable = sys.executable + command = [python_executable] + if use_accelerate: + accelerate_path = "chemlactica/config/accelerate_config.yaml" + command.extend( + f"-m accelerate.commands.launch --config_file {accelerate_path}".split(" ") + ) + for k, v in accelerate_config.items(): + command.append(f"--{k}={v}") + command.append("chemlactica/train.py") + for x, y in cli_arguments.items(): + if isinstance(y, bool): + if y: + command.append(f"--{x}") + else: + command.append(f"--{x}={y}") + + print(f'command being executed: {" ".join(command)}') + return command + + +@contextmanager +def conditional_context_manager(rsync_enabled, repo_path): + if rsync_enabled: + with submitit.helpers.RsyncSnapshot(repo_path) as cm: + yield cm + else: + yield None + + +def get_executor(executor_name, logs_path): + if executor_name == "slurm": + executor = submitit.AutoExecutor(folder=logs_path) + elif executor_name == "local": + executor = submitit.local.local.LocalExecutor(folder=logs_path) + return executor + + +if __name__ == "__main__": + logs_path = "submitit_logs/%j" + logs_path = "/nfs/dgx/raid/chem/" + logs_path if rsync_enabled else logs_path + repo_path = ( + "/nfs/dgx/raid/chem/rsyncsnapshots/" + f"{train_name}-{datetime.now().strftime('%Y-%m-%d-%H:%M')}" + ) + + with conditional_context_manager(rsync_enabled, repo_path): + command = get_command(use_accelerate) + executor = get_executor(executor_name, logs_path) + executor.update_parameters(**slurm_params) + print("train_name: ", train_name) + print("logs_path: ", logs_path) + print("repo path: ", repo_path) + function = submitit.helpers.CommandFunction(command, env=env_variables) + job = executor.submit(function) + # print(job.result()) diff --git a/local_submit_files/submit_run_RLM.py b/local_submit_files/submit_run_RLM.py new file mode 100644 index 0000000..2c15c03 --- /dev/null +++ b/local_submit_files/submit_run_RLM.py @@ -0,0 +1,133 @@ +import sys +from contextlib import contextmanager +from datetime import datetime +import submitit + +use_accelerate = False +rsync_enabled = False +executor_name = "slurm" # options are ["slurm", "local"] +root_path = "" +num_gpus = 1 +# model_name = "gemma" +# model_size = "2b" +model_name = "galactica" +model_size = "125m" +train_type = "sft" +train_name = "_".join([model_name, model_size, train_type]) +job_name = "RLM_chem_3wu_32bs_15ep_1e4_nef20" + +slurm_params = { + "slurm_job_name": job_name, + "timeout_min": 60 * 3, + "nodes": 1, + "tasks_per_node": 1, + "gpus_per_node": num_gpus, + "cpus_per_task": num_gpus * 8, + "mem_gb": num_gpus * 40.0 + 20.0, + "stderr_to_stdout": True, +} + +accelerate_config = {"num_processes": num_gpus} + +env_variables = { + "TOKENIZERS_PARALLELISM": "true", + "CUDA_VISIBLE_DEVICES": "0, 1, 2, 3, 4, 5, 6, 7", + # "CUDA_VISIBLE_DEVICES": "3", +} + +cli_arguments = { + "train_type": train_type, + # "from_pretrained": "/nfs/dgx/raid/chem/checkpoints/facebook/"\ + # "galactica-125m/9954e52e400b43d18d3a40f6/checkpoint-20480", + # "from_pretrained": "/nfs/dgx/raid/chem/checkpoints/facebook/"\ + # "galactica-125m/1f289ff103034364bd27e1c3/checkpoint-18000/", + # "from_pretrained": "/nfs/dgx/raid/chem/checkpoints/google/"\ + # "gemma-2b/d6e6a76e91814ad68d5fa264/checkpoint-11000", + # "from_pretrained": "/nfs/dgx/raid/chem/checkpoints/h100/"\ + # "google/gemma-2b/0717d445bcf44e31b2887892/checkpoint-12000", + "from_pretrained": "/nfs/dgx/raid/chem/checkpoints/h100/" + "google/gemma-2b/0717d445bcf44e31b2887892/checkpoint-18000", + "model_config": train_name, + "dir_data_types": "computed", + "training_data_dirs": "/auto/home/menuab/code/sft_data/ADME_RLM", + "valid_data_dir": "", + # "max_steps":120000, + "num_train_epochs": 15, + "learning_rate": 0.0001, + "warmup": 180, + "eval_steps": 120, + "save_steps": 2440, + "train_batch_size": 32, + "valid_batch_size": 32, + "dataloader_num_workers": 1, + "experiment_name": job_name, + "checkpoints_root_dir": "/nfs/dgx/raid/chem/checkpoints/", + "flash_attn": False, + "track": True, + "track_dir": "/nfs/dgx/raid/chem/aim/", + # "profile":, + # "profile_dir":, + # "gradient_accumulation_steps":, + # "gradient_checkpointing":, + # "evaluate_only":, + # "check_reproducability":, +} + + +def get_command(use_accelerate): + python_executable = sys.executable + command = [python_executable] + if use_accelerate: + accelerate_path = "chemlactica/config/accelerate_config.yaml" + command.extend( + f"-m accelerate.commands.launch --config_file {accelerate_path}".split(" ") + ) + for k, v in accelerate_config.items(): + command.append(f"--{k}={v}") + command.append("chemlactica/train.py") + for x, y in cli_arguments.items(): + if isinstance(y, bool): + if y: + command.append(f"--{x}") + else: + command.append(f"--{x}={y}") + + print(f'command being executed: {" ".join(command)}') + return command + + +@contextmanager +def conditional_context_manager(rsync_enabled, repo_path): + if rsync_enabled: + with submitit.helpers.RsyncSnapshot(repo_path) as cm: + yield cm + else: + yield None + + +def get_executor(executor_name, logs_path): + if executor_name == "slurm": + executor = submitit.AutoExecutor(folder=logs_path) + elif executor_name == "local": + executor = submitit.local.local.LocalExecutor(folder=logs_path) + return executor + + +if __name__ == "__main__": + logs_path = "submitit_logs/%j" + logs_path = "/nfs/dgx/raid/chem/" + logs_path if rsync_enabled else logs_path + repo_path = ( + "/nfs/dgx/raid/chem/rsyncsnapshots/" + f"{train_name}-{datetime.now().strftime('%Y-%m-%d-%H:%M')}" + ) + + with conditional_context_manager(rsync_enabled, repo_path): + command = get_command(use_accelerate) + executor = get_executor(executor_name, logs_path) + executor.update_parameters(**slurm_params) + print("train_name: ", train_name) + print("logs_path: ", logs_path) + print("repo path: ", repo_path) + function = submitit.helpers.CommandFunction(command, env=env_variables) + job = executor.submit(function) + # print(job.result()) diff --git a/local_submit_files/submit_run_Sol.py b/local_submit_files/submit_run_Sol.py new file mode 100644 index 0000000..49cf312 --- /dev/null +++ b/local_submit_files/submit_run_Sol.py @@ -0,0 +1,132 @@ +import sys +from contextlib import contextmanager +from datetime import datetime +import submitit + +use_accelerate = False +rsync_enabled = False +executor_name = "slurm" # options are ["slurm", "local"] +root_path = "" +num_gpus = 1 +# model_name = "gemma" +# model_size = "2b" +model_name = "galactica" +model_size = "125m" +train_type = "sft" +train_name = "_".join([model_name, model_size, train_type]) +job_name = "Sol_chem_3wu_32bs_15ep_1e4_nef20" + +slurm_params = { + "slurm_job_name": job_name, + "timeout_min": 60 * 3, + "nodes": 1, + "tasks_per_node": 1, + "gpus_per_node": num_gpus, + "cpus_per_task": num_gpus * 8, + "mem_gb": num_gpus * 40.0 + 20.0, + "stderr_to_stdout": True, +} + +accelerate_config = {"num_processes": num_gpus} + +env_variables = { + "TOKENIZERS_PARALLELISM": "true", + "CUDA_VISIBLE_DEVICES": "0, 1, 2, 3, 4, 5, 6, 7", + # "CUDA_VISIBLE_DEVICES": "7", +} + +cli_arguments = { + "train_type": train_type, + # "from_pretrained": "/nfs/dgx/raid/chem/checkpoints/facebook/"\ + # "galactica-125m/9954e52e400b43d18d3a40f6/checkpoint-20480", + # "from_pretrained": "/nfs/dgx/raid/chem/checkpoints/facebook/"\ + # "galactica-125m/1f289ff103034364bd27e1c3/checkpoint-18000/", + # "from_pretrained": "/nfs/dgx/raid/chem/checkpoints/google/"\ + # "gemma-2b/d6e6a76e91814ad68d5fa264/checkpoint-11000", + # "from_pretrained": "/nfs/dgx/raid/chem/checkpoints/h100/"\ + # "google/gemma-2b/0717d445bcf44e31b2887892/checkpoint-12000", + "from_pretrained": "/nfs/dgx/raid/chem/checkpoints/h100/" + "google/gemma-2b/0717d445bcf44e31b2887892/checkpoint-18000", + "dir_data_types": "computed", + "training_data_dirs": "/auto/home/menuab/code/sft_data/ADME_Sol", + "valid_data_dir": "", + # "max_steps":120000, + "num_train_epochs": 15, + "learning_rate": 0.0001, + "warmup": 130, + "eval_steps": 87, + "save_steps": 2440, + "train_batch_size": 32, + "valid_batch_size": 32, + "dataloader_num_workers": 1, + "experiment_name": job_name, + "checkpoints_root_dir": "/nfs/dgx/raid/chem/checkpoints/", + "flash_attn": False, + "track": True, + "track_dir": "/nfs/dgx/raid/chem/aim/", + # "profile":, + # "profile_dir":, + # "gradient_accumulation_steps":, + # "gradient_checkpointing":, + # "evaluate_only":, + # "check_reproducability":, +} + + +def get_command(use_accelerate): + python_executable = sys.executable + command = [python_executable] + if use_accelerate: + accelerate_path = "chemlactica/config/accelerate_config.yaml" + command.extend( + f"-m accelerate.commands.launch --config_file {accelerate_path}".split(" ") + ) + for k, v in accelerate_config.items(): + command.append(f"--{k}={v}") + command.append("chemlactica/train.py") + for x, y in cli_arguments.items(): + if isinstance(y, bool): + if y: + command.append(f"--{x}") + else: + command.append(f"--{x}={y}") + + print(f'command being executed: {" ".join(command)}') + return command + + +@contextmanager +def conditional_context_manager(rsync_enabled, repo_path): + if rsync_enabled: + with submitit.helpers.RsyncSnapshot(repo_path) as cm: + yield cm + else: + yield None + + +def get_executor(executor_name, logs_path): + if executor_name == "slurm": + executor = submitit.AutoExecutor(folder=logs_path) + elif executor_name == "local": + executor = submitit.local.local.LocalExecutor(folder=logs_path) + return executor + + +if __name__ == "__main__": + logs_path = "submitit_logs/%j" + logs_path = "/nfs/dgx/raid/chem/" + logs_path if rsync_enabled else logs_path + repo_path = ( + "/nfs/dgx/raid/chem/rsyncsnapshots/" + f"{train_name}-{datetime.now().strftime('%Y-%m-%d-%H:%M')}" + ) + + with conditional_context_manager(rsync_enabled, repo_path): + command = get_command(use_accelerate) + executor = get_executor(executor_name, logs_path) + executor.update_parameters(**slurm_params) + print("train_name: ", train_name) + print("logs_path: ", logs_path) + print("repo path: ", repo_path) + function = submitit.helpers.CommandFunction(command, env=env_variables) + job = executor.submit(function) + # print(job.result()) diff --git a/local_submit_files/submit_run_esol.py b/local_submit_files/submit_run_esol.py new file mode 100644 index 0000000..d80a6f5 --- /dev/null +++ b/local_submit_files/submit_run_esol.py @@ -0,0 +1,132 @@ +import sys +from contextlib import contextmanager +from datetime import datetime +import submitit + +use_accelerate = False +rsync_enabled = False +executor_name = "slurm" # options are ["slurm", "local"] +root_path = "" +num_gpus = 1 +model_name = "gemma" +model_size = "2b" +# model_name = "galactica" +# model_size = "125m" +train_type = "sft" +train_name = "_".join([model_name, model_size, train_type]) +job_name = "esol_0717_3wu_32bs_15ep_1e4_nef20" + +slurm_params = { + "slurm_job_name": job_name, + "timeout_min": 60 * 3, + "nodes": 1, + "tasks_per_node": 1, + "gpus_per_node": num_gpus, + "cpus_per_task": num_gpus * 12, + "mem_gb": num_gpus * 40.0 + 20.0, + "stderr_to_stdout": True, +} + +accelerate_config = {"num_processes": num_gpus} + +env_variables = { + "TOKENIZERS_PARALLELISM": "false", + "CUDA_VISIBLE_DEVICES": "0, 1, 2, 3, 4, 5, 6, 7", +} + +cli_arguments = { + "train_type": train_type, + # "from_pretrained": "/nfs/dgx/raid/chem/checkpoints/facebook/"\ + # "galactica-125m/9954e52e400b43d18d3a40f6/checkpoint-20480", + # "from_pretrained": "/nfs/dgx/raid/chem/checkpoints/facebook/"\ + # "galactica-125m/1f289ff103034364bd27e1c3/checkpoint-18000/", + # "from_pretrained": "/nfs/dgx/raid/chem/checkpoints/google/"\ + # "gemma-2b/d6e6a76e91814ad68d5fa264/checkpoint-11000", + # "from_pretrained": "/nfs/dgx/raid/chem/checkpoints/h100/"\ + # "google/gemma-2b/0717d445bcf44e31b2887892/checkpoint-12000", + "from_pretrained": "/nfs/dgx/raid/chem/checkpoints/h100/" + "google/gemma-2b/0717d445bcf44e31b2887892/checkpoint-18000", + "model_config": train_name, + "dir_data_types": "computed", + "training_data_dirs": "gayane/esol", + "valid_data_dir": "", + # "max_steps":120000, + "num_train_epochs": 20, + "learning_rate": 0.0001, + "warmup": 48, + "eval_steps": 60, + "save_steps": 28000, + "train_batch_size": 32, + "valid_batch_size": 32, + "dataloader_num_workers": 30, + "experiment_name": job_name, + "checkpoints_root_dir": "/nfs/dgx/raid/chem/checkpoints/", + "flash_attn": False, + "track": True, + "track_dir": "/nfs/dgx/raid/chem/aim/", + # "profile":, + # "profile_dir":, + # "gradient_accumulation_steps":, + # "gradient_checkpointing":, + # "evaluate_only":, + # "check_reproducability":, +} + + +def get_command(use_accelerate): + python_executable = sys.executable + command = [python_executable] + if use_accelerate: + accelerate_path = "chemlactica/config/accelerate_config.yaml" + command.extend( + f"-m accelerate.commands.launch --config_file {accelerate_path}".split(" ") + ) + for k, v in accelerate_config.items(): + command.append(f"--{k}={v}") + command.append("chemlactica/train.py") + for x, y in cli_arguments.items(): + if isinstance(y, bool): + if y: + command.append(f"--{x}") + else: + command.append(f"--{x}={y}") + + print(f'command being executed: {" ".join(command)}') + return command + + +@contextmanager +def conditional_context_manager(rsync_enabled, repo_path): + if rsync_enabled: + with submitit.helpers.RsyncSnapshot(repo_path) as cm: + yield cm + else: + yield None + + +def get_executor(executor_name, logs_path): + if executor_name == "slurm": + executor = submitit.AutoExecutor(folder=logs_path) + elif executor_name == "local": + executor = submitit.local.local.LocalExecutor(folder=logs_path) + return executor + + +if __name__ == "__main__": + logs_path = "submitit_logs/%j" + logs_path = "/nfs/dgx/raid/chem/" + logs_path if rsync_enabled else logs_path + repo_path = ( + "/nfs/dgx/raid/chem/rsyncsnapshots/" + f"{train_name}-{datetime.now().strftime('%Y-%m-%d-%H:%M')}" + ) + + with conditional_context_manager(rsync_enabled, repo_path): + command = get_command(use_accelerate) + executor = get_executor(executor_name, logs_path) + executor.update_parameters(**slurm_params) + print("train_name: ", train_name) + print("logs_path: ", logs_path) + print("repo path: ", repo_path) + function = submitit.helpers.CommandFunction(command, env=env_variables) + job = executor.submit(function) + # print(job.result()) diff --git a/local_submit_files/submit_run_freesolv.py b/local_submit_files/submit_run_freesolv.py new file mode 100644 index 0000000..809ecbb --- /dev/null +++ b/local_submit_files/submit_run_freesolv.py @@ -0,0 +1,133 @@ +import sys +from contextlib import contextmanager +from datetime import datetime +import submitit + +use_accelerate = False +rsync_enabled = False +executor_name = "slurm" # options are ["slurm", "local"] +root_path = "" +num_gpus = 1 +model_name = "gemma" +model_size = "2b" +# model_name = "galactica" +# model_size = "125m" +train_type = "sft" +train_name = "_".join([model_name, model_size, train_type]) +job_name = "freesolv_0717_3wu_32bs_15ep_1e4_nef20" + +slurm_params = { + "slurm_job_name": job_name, + "timeout_min": 60 * 3, + "nodes": 1, + "tasks_per_node": 1, + "gpus_per_node": num_gpus, + "cpus_per_task": num_gpus * 12, + "mem_gb": num_gpus * 40.0 + 20.0, + "stderr_to_stdout": True, +} + +accelerate_config = {"num_processes": num_gpus} + +env_variables = { + "TOKENIZERS_PARALLELISM": "false", + "CUDA_VISIBLE_DEVICES": "0, 1, 2, 3, 4, 5, 6, 7", + # "CUDA_VISIBLE_DEVICES": "1", +} + +cli_arguments = { + "train_type": train_type, + # "from_pretrained": "/nfs/dgx/raid/chem/checkpoints/facebook/"\ + # "galactica-125m/9954e52e400b43d18d3a40f6/checkpoint-20480", + # "from_pretrained": "/nfs/dgx/raid/chem/checkpoints/facebook/"\ + # "galactica-125m/1f289ff103034364bd27e1c3/checkpoint-18000/", + # "from_pretrained": "/nfs/dgx/raid/chem/checkpoints/google/"\ + # "gemma-2b/d6e6a76e91814ad68d5fa264/checkpoint-11000", + # "from_pretrained": "/nfs/dgx/raid/chem/checkpoints/h100/"\ + # "google/gemma-2b/0717d445bcf44e31b2887892/checkpoint-12000", + "from_pretrained": "/nfs/dgx/raid/chem/checkpoints/h100/" + "google/gemma-2b/0717d445bcf44e31b2887892/checkpoint-18000", + "model_config": train_name, + "dir_data_types": "computed", + "training_data_dirs": "gayane/freesolv", + "valid_data_dir": "", + # "max_steps":120000, + "num_train_epochs": 20, + "warmup": 48, + "learning_rate": 0.0001, + "eval_steps": 30, + "save_steps": 600, + "train_batch_size": 32, + "valid_batch_size": 32, + "dataloader_num_workers": 1, + "experiment_name": job_name, + "checkpoints_root_dir": "/nfs/dgx/raid/chem/checkpoints/", + "flash_attn": False, + "track": True, + "track_dir": "/nfs/dgx/raid/chem/aim/", + # "profile":, + # "profile_dir":, + # "gradient_accumulation_steps":, + # "gradient_checkpointing":, + # "evaluate_only":, + # "check_reproducability":, +} + + +def get_command(use_accelerate): + python_executable = sys.executable + command = [python_executable] + if use_accelerate: + accelerate_path = "chemlactica/config/accelerate_config.yaml" + command.extend( + f"-m accelerate.commands.launch --config_file {accelerate_path}".split(" ") + ) + for k, v in accelerate_config.items(): + command.append(f"--{k}={v}") + command.append("chemlactica/train.py") + for x, y in cli_arguments.items(): + if isinstance(y, bool): + if y: + command.append(f"--{x}") + else: + command.append(f"--{x}={y}") + + print(f'command being executed: {" ".join(command)}') + return command + + +@contextmanager +def conditional_context_manager(rsync_enabled, repo_path): + if rsync_enabled: + with submitit.helpers.RsyncSnapshot(repo_path) as cm: + yield cm + else: + yield None + + +def get_executor(executor_name, logs_path): + if executor_name == "slurm": + executor = submitit.AutoExecutor(folder=logs_path) + elif executor_name == "local": + executor = submitit.local.local.LocalExecutor(folder=logs_path) + return executor + + +if __name__ == "__main__": + logs_path = "submitit_logs/%j" + logs_path = "/nfs/dgx/raid/chem/" + logs_path if rsync_enabled else logs_path + repo_path = ( + "/nfs/dgx/raid/chem/rsyncsnapshots/" + f"{train_name}-{datetime.now().strftime('%Y-%m-%d-%H:%M')}" + ) + + with conditional_context_manager(rsync_enabled, repo_path): + command = get_command(use_accelerate) + executor = get_executor(executor_name, logs_path) + executor.update_parameters(**slurm_params) + print("train_name: ", train_name) + print("logs_path: ", logs_path) + print("repo path: ", repo_path) + function = submitit.helpers.CommandFunction(command, env=env_variables) + job = executor.submit(function) + # print(job.result()) diff --git a/local_submit_files/submit_run_galactica_pre.py b/local_submit_files/submit_run_galactica_pre.py new file mode 100644 index 0000000..9421164 --- /dev/null +++ b/local_submit_files/submit_run_galactica_pre.py @@ -0,0 +1,119 @@ +import sys +from contextlib import contextmanager +from datetime import datetime +import submitit + +use_accelerate = True +rsync_enabled = False +executor_name = "slurm" # options are ["slurm", "local"] +root_path = "" +num_gpus = 2 +model_name = "galactica" +model_size = "125m" +train_type = "pretrain" +train_name = "_".join([model_name, model_size, train_type]) + +slurm_params = { + "slurm_job_name": "submitit_test", + "timeout_min": 30, + "nodes": 1, + "tasks_per_node": 1, + "gpus_per_node": num_gpus, + "cpus_per_task": num_gpus * 8, + "mem_gb": num_gpus * 15.0 + 20.0, + "stderr_to_stdout": True, +} + +accelerate_config = {"num_processes": num_gpus} + +env_variables = { + "TOKENIZERS_PARALLELISM": "true", + "CUDA_VISIBLE_DEVICES": "0, 1, 2, 3, 4, 5, 6, 7", +} + +cli_arguments = { + "train_type": train_type, + "from_pretrained": "facebook/galactica-125m", + "model_config": train_name, + "dir_data_types": "computed", + "training_data_dirs": "/nfs/ap/mnt/sxtn/rdkit_computed_rel+form/train_rdkit_computed_rel+form", + "valid_data_dir": "/nfs/ap/mnt/sxtn/rdkit_computed_rel+form/valid_rdkit_computed_rel+form", + "max_steps": 120000, + # "num_train_epochs": 15, + # "learning_rate": 5, + "eval_steps": 1000, + "save_steps": 1000, + "train_batch_size": 2, + # "valid_batch_size": 16, + "dataloader_num_workers": 30, + "experiment_name": "freesolv_30e", + "checkpoints_root_dir": "/nfs/dgx/raid/chem/checkpoints/", + "flash_attn": False, + "track": True, + "track_dir": "/nfs/dgx/raid/chem/aim/", + # "profile":, + # "profile_dir":, + # "gradient_accumulation_steps":, + # "gradient_checkpointing":, + # "evaluate_only":, + # "check_reproducability":, +} + + +def get_command(use_accelerate): + python_executable = sys.executable + command = [python_executable] + if use_accelerate: + accelerate_path = "chemlactica/config/accelerate_config.yaml" + command.extend( + f"-m accelerate.commands.launch --config_file {accelerate_path}".split(" ") + ) + for k, v in accelerate_config.items(): + command.append(f"--{k}={v}") + command.append("chemlactica/train.py") + for x, y in cli_arguments.items(): + if isinstance(y, bool): + if y: + command.append(f"--{x}") + else: + command.append(f"--{x}={y}") + + print(f'command being executed: {" ".join(command)}') + return command + + +@contextmanager +def conditional_context_manager(rsync_enabled, repo_path): + if rsync_enabled: + with submitit.helpers.RsyncSnapshot(repo_path) as cm: + yield cm + else: + yield None + + +def get_executor(executor_name, logs_path): + if executor_name == "slurm": + executor = submitit.AutoExecutor(folder=logs_path) + elif executor_name == "local": + executor = submitit.local.local.LocalExecutor(folder=logs_path) + return executor + + +if __name__ == "__main__": + logs_path = "submitit_logs/%j" + logs_path = "/nfs/dgx/raid/chem/" + logs_path if rsync_enabled else logs_path + repo_path = ( + "/nfs/dgx/raid/chem/rsyncsnapshots/" + f"{train_name}-{datetime.now().strftime('%Y-%m-%d-%H:%M')}" + ) + + with conditional_context_manager(rsync_enabled, repo_path): + command = get_command(use_accelerate) + executor = get_executor(executor_name, logs_path) + executor.update_parameters(**slurm_params) + print("train_name: ", train_name) + print("logs_path: ", logs_path) + print("repo path: ", repo_path) + function = submitit.helpers.CommandFunction(command, env=env_variables) + job = executor.submit(function) + # print(job.result()) diff --git a/local_submit_files/submit_run_hPPB.py b/local_submit_files/submit_run_hPPB.py new file mode 100644 index 0000000..0c2d4c5 --- /dev/null +++ b/local_submit_files/submit_run_hPPB.py @@ -0,0 +1,133 @@ +import sys +from contextlib import contextmanager +from datetime import datetime +import submitit + +use_accelerate = False +rsync_enabled = False +executor_name = "slurm" # options are ["slurm", "local"] +root_path = "" +num_gpus = 1 +# model_name = "gemma" +# model_size = "2b" +model_name = "galactica" +model_size = "125m" +train_type = "sft" +train_name = "_".join([model_name, model_size, train_type]) +job_name = "hPPB_chem_3wu_32bs_15ep_1e4_nef20" + +slurm_params = { + "slurm_job_name": job_name, + "timeout_min": 60 * 3, + "nodes": 1, + "tasks_per_node": 1, + "gpus_per_node": num_gpus, + "cpus_per_task": num_gpus * 8, + "mem_gb": num_gpus * 40.0 + 20.0, + "stderr_to_stdout": True, +} + +accelerate_config = {"num_processes": num_gpus} + +env_variables = { + "TOKENIZERS_PARALLELISM": "true", + "CUDA_VISIBLE_DEVICES": "0, 1, 2, 3, 4, 5, 6, 7", + # "CUDA_VISIBLE_DEVICES": "7", +} + +cli_arguments = { + "train_type": train_type, + # "from_pretrained": "/nfs/dgx/raid/chem/checkpoints/facebook/"\ + # "galactica-125m/9954e52e400b43d18d3a40f6/checkpoint-20480", + # "from_pretrained": "/nfs/dgx/raid/chem/checkpoints/facebook/"\ + # "galactica-125m/1f289ff103034364bd27e1c3/checkpoint-18000/", + # "from_pretrained": "/nfs/dgx/raid/chem/checkpoints/google/"\ + # "gemma-2b/d6e6a76e91814ad68d5fa264/checkpoint-11000", + # "from_pretrained": "/nfs/dgx/raid/chem/checkpoints/h100/"\ + # "google/gemma-2b/0717d445bcf44e31b2887892/checkpoint-12000", + "from_pretrained": "/nfs/dgx/raid/chem/checkpoints/h100/" + "google/gemma-2b/0717d445bcf44e31b2887892/checkpoint-18000", + "model_config": train_name, + "dir_data_types": "computed", + "training_data_dirs": "/auto/home/menuab/code/sft_data/ADME_hPPB", + "valid_data_dir": "", + # "max_steps":120000, + "num_train_epochs": 15, + "learning_rate": 0.0001, + "warmup": 100, + "eval_steps": 75, + "save_steps": 2440, + "train_batch_size": 32, + "valid_batch_size": 32, + "dataloader_num_workers": 1, + "experiment_name": job_name, + "checkpoints_root_dir": "/nfs/dgx/raid/chem/checkpoints/", + "flash_attn": False, + "track": True, + "track_dir": "/nfs/dgx/raid/chem/aim/", + # "profile":, + # "profile_dir":, + # "gradient_accumulation_steps":, + # "gradient_checkpointing":, + # "evaluate_only":, + # "check_reproducability":, +} + + +def get_command(use_accelerate): + python_executable = sys.executable + command = [python_executable] + if use_accelerate: + accelerate_path = "chemlactica/config/accelerate_config.yaml" + command.extend( + f"-m accelerate.commands.launch --config_file {accelerate_path}".split(" ") + ) + for k, v in accelerate_config.items(): + command.append(f"--{k}={v}") + command.append("chemlactica/train.py") + for x, y in cli_arguments.items(): + if isinstance(y, bool): + if y: + command.append(f"--{x}") + else: + command.append(f"--{x}={y}") + + print(f'command being executed: {" ".join(command)}') + return command + + +@contextmanager +def conditional_context_manager(rsync_enabled, repo_path): + if rsync_enabled: + with submitit.helpers.RsyncSnapshot(repo_path) as cm: + yield cm + else: + yield None + + +def get_executor(executor_name, logs_path): + if executor_name == "slurm": + executor = submitit.AutoExecutor(folder=logs_path) + elif executor_name == "local": + executor = submitit.local.local.LocalExecutor(folder=logs_path) + return executor + + +if __name__ == "__main__": + logs_path = "submitit_logs/%j" + logs_path = "/nfs/dgx/raid/chem/" + logs_path if rsync_enabled else logs_path + repo_path = ( + "/nfs/dgx/raid/chem/rsyncsnapshots/" + f"{train_name}-{datetime.now().strftime('%Y-%m-%d-%H:%M')}" + ) + + with conditional_context_manager(rsync_enabled, repo_path): + command = get_command(use_accelerate) + executor = get_executor(executor_name, logs_path) + executor.update_parameters(**slurm_params) + print("train_name: ", train_name) + print("logs_path: ", logs_path) + print("repo path: ", repo_path) + function = submitit.helpers.CommandFunction(command, env=env_variables) + job = executor.submit(function) + # print(job.result()) diff --git a/local_submit_files/submit_run_lipo.py b/local_submit_files/submit_run_lipo.py new file mode 100644 index 0000000..47edaa0 --- /dev/null +++ b/local_submit_files/submit_run_lipo.py @@ -0,0 +1,132 @@ +import sys +from contextlib import contextmanager +from datetime import datetime +import submitit + +use_accelerate = False +rsync_enabled = False +executor_name = "slurm" # options are ["slurm", "local"] +root_path = "" +num_gpus = 1 +model_name = "gemma" +model_size = "2b" +# model_name = "galactica" +# model_size = "125m" +train_type = "sft" +train_name = "_".join([model_name, model_size, train_type]) +job_name = "lipo_0717_3wu_32bs_15ep_1e4_nef20" + +slurm_params = { + "slurm_job_name": job_name, + "timeout_min": 60 * 3, + "nodes": 1, + "tasks_per_node": 1, + "gpus_per_node": num_gpus, + "cpus_per_task": num_gpus * 12, + "mem_gb": num_gpus * 40.0 + 20.0, + "stderr_to_stdout": True, +} + +accelerate_config = {"num_processes": num_gpus} + +env_variables = { + "TOKENIZERS_PARALLELISM": "false", + "CUDA_VISIBLE_DEVICES": "0, 1, 2, 3, 4, 5, 6, 7", +} + +cli_arguments = { + "train_type": train_type, + # "from_pretrained": "/nfs/dgx/raid/chem/checkpoints/facebook/"\ + # "galactica-125m/9954e52e400b43d18d3a40f6/checkpoint-20480", + # "from_pretrained": "/nfs/dgx/raid/chem/checkpoints/facebook/"\ + # "galactica-125m/1f289ff103034364bd27e1c3/checkpoint-18000/", + # "from_pretrained": "/nfs/dgx/raid/chem/checkpoints/google/"\ + # "gemma-2b/d6e6a76e91814ad68d5fa264/checkpoint-11000", + # "from_pretrained": "/nfs/dgx/raid/chem/checkpoints/h100/"\ + # "google/gemma-2b/0717d445bcf44e31b2887892/checkpoint-12000", + "from_pretrained": "/nfs/dgx/raid/chem/checkpoints/h100/" + "google/gemma-2b/0717d445bcf44e31b2887892/checkpoint-18000", + "model_config": train_name, + "dir_data_types": "computed", + "training_data_dirs": "gayane/lipo", + "valid_data_dir": "", + # "max_steps":120000, + "num_train_epochs": 20, + "learning_rate": 0.0001, + "warmup": 315, + "eval_steps": 210, + "save_steps": 5003, + "train_batch_size": 32, + "valid_batch_size": 32, + "dataloader_num_workers": 1, + "experiment_name": job_name, + "checkpoints_root_dir": "/nfs/dgx/raid/chem/checkpoints/", + "flash_attn": False, + "track": True, + "track_dir": "/nfs/dgx/raid/chem/aim/", + # "profile":, + # "profile_dir":, + # "gradient_accumulation_steps":, + # "gradient_checkpointing":, + # "evaluate_only":, + # "check_reproducability":, +} + + +def get_command(use_accelerate): + python_executable = sys.executable + command = [python_executable] + if use_accelerate: + accelerate_path = "chemlactica/config/accelerate_config.yaml" + command.extend( + f"-m accelerate.commands.launch --config_file {accelerate_path}".split(" ") + ) + for k, v in accelerate_config.items(): + command.append(f"--{k}={v}") + command.append("chemlactica/train.py") + for x, y in cli_arguments.items(): + if isinstance(y, bool): + if y: + command.append(f"--{x}") + else: + command.append(f"--{x}={y}") + + print(f'command being executed: {" ".join(command)}') + return command + + +@contextmanager +def conditional_context_manager(rsync_enabled, repo_path): + if rsync_enabled: + with submitit.helpers.RsyncSnapshot(repo_path) as cm: + yield cm + else: + yield None + + +def get_executor(executor_name, logs_path): + if executor_name == "slurm": + executor = submitit.AutoExecutor(folder=logs_path) + elif executor_name == "local": + executor = submitit.local.local.LocalExecutor(folder=logs_path) + return executor + + +if __name__ == "__main__": + logs_path = "submitit_logs/%j" + logs_path = "/nfs/dgx/raid/chem/" + logs_path if rsync_enabled else logs_path + repo_path = ( + "/nfs/dgx/raid/chem/rsyncsnapshots/" + f"{train_name}-{datetime.now().strftime('%Y-%m-%d-%H:%M')}" + ) + + with conditional_context_manager(rsync_enabled, repo_path): + command = get_command(use_accelerate) + executor = get_executor(executor_name, logs_path) + executor.update_parameters(**slurm_params) + print("train_name: ", train_name) + print("logs_path: ", logs_path) + print("repo path: ", repo_path) + function = submitit.helpers.CommandFunction(command, env=env_variables) + job = executor.submit(function) + # print(job.result()) diff --git a/local_submit_files/submit_run_rPPB.py b/local_submit_files/submit_run_rPPB.py new file mode 100644 index 0000000..ec33ecf --- /dev/null +++ b/local_submit_files/submit_run_rPPB.py @@ -0,0 +1,133 @@ +import sys +from contextlib import contextmanager +from datetime import datetime +import submitit + +use_accelerate = False +rsync_enabled = False +executor_name = "slurm" # options are ["slurm", "local"] +root_path = "" +num_gpus = 1 +# model_name = "gemma" +# model_size = "2b" +model_name = "galactica" +model_size = "125m" +train_type = "sft" +train_name = "_".join([model_name, model_size, train_type]) +job_name = "rPPB_chem_3wu_32bs_15ep_1e4_nef20" + +slurm_params = { + "slurm_job_name": job_name, + "timeout_min": 60 * 3, + "nodes": 1, + "tasks_per_node": 1, + "gpus_per_node": num_gpus, + "cpus_per_task": num_gpus * 8, + "mem_gb": num_gpus * 40.0 + 20.0, + "stderr_to_stdout": True, +} + +accelerate_config = {"num_processes": num_gpus} + +env_variables = { + "TOKENIZERS_PARALLELISM": "true", + "CUDA_VISIBLE_DEVICES": "0, 1, 2, 3, 4, 5, 6, 7", + # "CUDA_VISIBLE_DEVICES": "3", +} + +cli_arguments = { + "train_type": train_type, + # "from_pretrained": "/nfs/dgx/raid/chem/checkpoints/facebook/"\ + # "galactica-125m/9954e52e400b43d18d3a40f6/checkpoint-20480", + # "from_pretrained": "/nfs/dgx/raid/chem/checkpoints/facebook/"\ + # "galactica-125m/1f289ff103034364bd27e1c3/checkpoint-18000/", + # "from_pretrained": "/nfs/dgx/raid/chem/checkpoints/google/"\ + # "gemma-2b/d6e6a76e91814ad68d5fa264/checkpoint-11000", + # "from_pretrained": "/nfs/dgx/raid/chem/checkpoints/h100/"\ + # "google/gemma-2b/0717d445bcf44e31b2887892/checkpoint-12000", + "from_pretrained": "/nfs/dgx/raid/chem/checkpoints/h100/" + "google/gemma-2b/0717d445bcf44e31b2887892/checkpoint-18000", + "model_config": train_name, + "dir_data_types": "computed", + "training_data_dirs": "/auto/home/menuab/code/sft_data/ADME_rPPB", + "valid_data_dir": "", + # "max_steps":120000, + "num_train_epochs": 15, + "learning_rate": 0.0001, + "warmup": 50, + "eval_steps": 35, + "save_steps": 2440, + "train_batch_size": 32, + "valid_batch_size": 32, + "dataloader_num_workers": 1, + "experiment_name": job_name, + "checkpoints_root_dir": "/nfs/dgx/raid/chem/checkpoints/", + "flash_attn": False, + "track": True, + "track_dir": "/nfs/dgx/raid/chem/aim/", + # "profile":, + # "profile_dir":, + # "gradient_accumulation_steps":, + # "gradient_checkpointing":, + # "evaluate_only":, + # "check_reproducability":, +} + + +def get_command(use_accelerate): + python_executable = sys.executable + command = [python_executable] + if use_accelerate: + accelerate_path = "chemlactica/config/accelerate_config.yaml" + command.extend( + f"-m accelerate.commands.launch --config_file {accelerate_path}".split(" ") + ) + for k, v in accelerate_config.items(): + command.append(f"--{k}={v}") + command.append("chemlactica/train.py") + for x, y in cli_arguments.items(): + if isinstance(y, bool): + if y: + command.append(f"--{x}") + else: + command.append(f"--{x}={y}") + + print(f'command being executed: {" ".join(command)}') + return command + + +@contextmanager +def conditional_context_manager(rsync_enabled, repo_path): + if rsync_enabled: + with submitit.helpers.RsyncSnapshot(repo_path) as cm: + yield cm + else: + yield None + + +def get_executor(executor_name, logs_path): + if executor_name == "slurm": + executor = submitit.AutoExecutor(folder=logs_path) + elif executor_name == "local": + executor = submitit.local.local.LocalExecutor(folder=logs_path) + return executor + + +if __name__ == "__main__": + logs_path = "submitit_logs/%j" + logs_path = "/nfs/dgx/raid/chem/" + logs_path if rsync_enabled else logs_path + repo_path = ( + "/nfs/dgx/raid/chem/rsyncsnapshots/" + f"{train_name}-{datetime.now().strftime('%Y-%m-%d-%H:%M')}" + ) + + with conditional_context_manager(rsync_enabled, repo_path): + command = get_command(use_accelerate) + executor = get_executor(executor_name, logs_path) + executor.update_parameters(**slurm_params) + print("train_name: ", train_name) + print("logs_path: ", logs_path) + print("repo path: ", repo_path) + function = submitit.helpers.CommandFunction(command, env=env_variables) + job = executor.submit(function) + # print(job.result()) diff --git a/notebooks/playground.ipynb b/notebooks/playground.ipynb index 18e26a9..8201e10 100644 --- a/notebooks/playground.ipynb +++ b/notebooks/playground.ipynb @@ -38,13 +38,41 @@ "cell_type": "code", "execution_count": 2, "metadata": {}, - "outputs": [], + "outputs": [ + { + "name": "stderr", + "output_type": "stream", + "text": [ + "Special tokens have been added in the vocabulary, make sure the associated word embeddings are fine-tuned or trained.\n" + ] + } + ], "source": [ - "# tokenizer = AutoTokenizer.from_pretrained(\"/auto/home/menuab/code/ChemLacticaTestSuite/src/tokenizer/ChemLacticaTokenizer_50066\")\n", + "tokenizer = AutoTokenizer.from_pretrained(\"/auto/home/menuab/code/ChemLacticaTestSuite/src/tokenizer/ChemLacticaTokenizer_50066\")\n", "orig_tokenizer = AutoTokenizer.from_pretrained(\"google/gemma-2b\")\n", "cus_tokenizer = AutoTokenizer.from_pretrained(\"/auto/home/menuab/code/ChemLactica/chemlactica/tokenizer/GemmaTokenizer\")" ] }, + { + "cell_type": "code", + "execution_count": 42, + "metadata": {}, + "outputs": [ + { + "data": { + "text/plain": [ + "[50002, 50035, 50003, 50036, 50000, 50033]" + ] + }, + "execution_count": 42, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "tokenizer.encode(\"[SIMILAR][/SIMILAR][PROPERTY][/PROPERTY][SYNONYM][/SYNONYM]\")" + ] + }, { "cell_type": "code", "execution_count": 3, @@ -65,7 +93,7 @@ "text": [ "Gemma's activation function should be approximate GeLU and not exact GeLU.\n", "Changing the activation function to `gelu_pytorch_tanh`.if you want to use the legacy `gelu`, edit the `model.config` to set `hidden_activation=gelu` instead of `hidden_act`. See https://github.com/huggingface/transformers/pull/29402 for more details.\n", - "Loading checkpoint shards: 100%|██████████| 2/2 [00:52<00:00, 26.45s/it]\n" + "Loading checkpoint shards: 100%|██████████| 2/2 [00:55<00:00, 27.74s/it]\n" ] } ], @@ -80,32 +108,171 @@ "model_2b_11k_d6e6 = \"/nfs/dgx/raid/chem/checkpoints/google/gemma-2b/d6e6a76e91814ad68d5fa264/checkpoint-11000\"\n", "\n", "model = AutoModelForCausalLM.from_pretrained(model_2b_11k_d6e6,torch_dtype=torch.float16).eval().to('cuda:1')\n", + "\n", "# model = " ] }, { "cell_type": "code", - "execution_count": 7, + "execution_count": 16, + "metadata": {}, + "outputs": [], + "source": [ + "model_125m_20k_9954 = \"/nfs/dgx/raid/chem/checkpoints/facebook/galactica-125m/9954e52e400b43d18d3a40f6/checkpoint-20480\"\n", + "model2 = AutoModelForCausalLM.from_pretrained(model_125m_20k_9954,torch_dtype=torch.float16).eval().to('cuda:1')\n" + ] + }, + { + "cell_type": "code", + "execution_count": 62, + "metadata": {}, + "outputs": [ + { + "ename": "TypeError", + "evalue": "argument 'ids': Can't extract `str` to `Vec`", + "output_type": "error", + "traceback": [ + "\u001b[0;31m---------------------------------------------------------------------------\u001b[0m", + "\u001b[0;31mTypeError\u001b[0m Traceback (most recent call last)", + "Cell \u001b[0;32mIn[62], line 5\u001b[0m\n\u001b[1;32m 3\u001b[0m prompt \u001b[38;5;241m=\u001b[39m cus_tokenizer(prompt, return_tensors\u001b[38;5;241m=\u001b[39m\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mpt\u001b[39m\u001b[38;5;124m\"\u001b[39m)\u001b[38;5;241m.\u001b[39mto(model\u001b[38;5;241m.\u001b[39mdevice)\n\u001b[1;32m 4\u001b[0m output \u001b[38;5;241m=\u001b[39m model\u001b[38;5;241m.\u001b[39mgenerate(prompt\u001b[38;5;241m.\u001b[39minput_ids, do_sample\u001b[38;5;241m=\u001b[39m\u001b[38;5;28;01mFalse\u001b[39;00m, max_length\u001b[38;5;241m=\u001b[39m\u001b[38;5;241m30\u001b[39m, return_dict_in_generate\u001b[38;5;241m=\u001b[39m\u001b[38;5;28;01mTrue\u001b[39;00m ,output_scores\u001b[38;5;241m=\u001b[39m\u001b[38;5;28;01mTrue\u001b[39;00m)\n\u001b[0;32m----> 5\u001b[0m out \u001b[38;5;241m=\u001b[39m \u001b[43mcus_tokenizer\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mbatch_decode\u001b[49m\u001b[43m(\u001b[49m\u001b[43moutput\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m 6\u001b[0m out\n", + "File \u001b[0;32m~/miniforge3/envs/gemma_env_new/lib/python3.10/site-packages/transformers/tokenization_utils_base.py:3785\u001b[0m, in \u001b[0;36mPreTrainedTokenizerBase.batch_decode\u001b[0;34m(self, sequences, skip_special_tokens, clean_up_tokenization_spaces, **kwargs)\u001b[0m\n\u001b[1;32m 3761\u001b[0m \u001b[38;5;28;01mdef\u001b[39;00m \u001b[38;5;21mbatch_decode\u001b[39m(\n\u001b[1;32m 3762\u001b[0m \u001b[38;5;28mself\u001b[39m,\n\u001b[1;32m 3763\u001b[0m sequences: Union[List[\u001b[38;5;28mint\u001b[39m], List[List[\u001b[38;5;28mint\u001b[39m]], \u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mnp.ndarray\u001b[39m\u001b[38;5;124m\"\u001b[39m, \u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mtorch.Tensor\u001b[39m\u001b[38;5;124m\"\u001b[39m, \u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mtf.Tensor\u001b[39m\u001b[38;5;124m\"\u001b[39m],\n\u001b[0;32m (...)\u001b[0m\n\u001b[1;32m 3766\u001b[0m \u001b[38;5;241m*\u001b[39m\u001b[38;5;241m*\u001b[39mkwargs,\n\u001b[1;32m 3767\u001b[0m ) \u001b[38;5;241m-\u001b[39m\u001b[38;5;241m>\u001b[39m List[\u001b[38;5;28mstr\u001b[39m]:\n\u001b[1;32m 3768\u001b[0m \u001b[38;5;250m \u001b[39m\u001b[38;5;124;03m\"\"\"\u001b[39;00m\n\u001b[1;32m 3769\u001b[0m \u001b[38;5;124;03m Convert a list of lists of token ids into a list of strings by calling decode.\u001b[39;00m\n\u001b[1;32m 3770\u001b[0m \n\u001b[0;32m (...)\u001b[0m\n\u001b[1;32m 3783\u001b[0m \u001b[38;5;124;03m `List[str]`: The list of decoded sentences.\u001b[39;00m\n\u001b[1;32m 3784\u001b[0m \u001b[38;5;124;03m \"\"\"\u001b[39;00m\n\u001b[0;32m-> 3785\u001b[0m \u001b[38;5;28;01mreturn\u001b[39;00m [\n\u001b[1;32m 3786\u001b[0m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mdecode(\n\u001b[1;32m 3787\u001b[0m seq,\n\u001b[1;32m 3788\u001b[0m skip_special_tokens\u001b[38;5;241m=\u001b[39mskip_special_tokens,\n\u001b[1;32m 3789\u001b[0m clean_up_tokenization_spaces\u001b[38;5;241m=\u001b[39mclean_up_tokenization_spaces,\n\u001b[1;32m 3790\u001b[0m \u001b[38;5;241m*\u001b[39m\u001b[38;5;241m*\u001b[39mkwargs,\n\u001b[1;32m 3791\u001b[0m )\n\u001b[1;32m 3792\u001b[0m \u001b[38;5;28;01mfor\u001b[39;00m seq \u001b[38;5;129;01min\u001b[39;00m sequences\n\u001b[1;32m 3793\u001b[0m ]\n", + "File \u001b[0;32m~/miniforge3/envs/gemma_env_new/lib/python3.10/site-packages/transformers/tokenization_utils_base.py:3786\u001b[0m, in \u001b[0;36m\u001b[0;34m(.0)\u001b[0m\n\u001b[1;32m 3761\u001b[0m \u001b[38;5;28;01mdef\u001b[39;00m \u001b[38;5;21mbatch_decode\u001b[39m(\n\u001b[1;32m 3762\u001b[0m \u001b[38;5;28mself\u001b[39m,\n\u001b[1;32m 3763\u001b[0m sequences: Union[List[\u001b[38;5;28mint\u001b[39m], List[List[\u001b[38;5;28mint\u001b[39m]], \u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mnp.ndarray\u001b[39m\u001b[38;5;124m\"\u001b[39m, \u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mtorch.Tensor\u001b[39m\u001b[38;5;124m\"\u001b[39m, \u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mtf.Tensor\u001b[39m\u001b[38;5;124m\"\u001b[39m],\n\u001b[0;32m (...)\u001b[0m\n\u001b[1;32m 3766\u001b[0m \u001b[38;5;241m*\u001b[39m\u001b[38;5;241m*\u001b[39mkwargs,\n\u001b[1;32m 3767\u001b[0m ) \u001b[38;5;241m-\u001b[39m\u001b[38;5;241m>\u001b[39m List[\u001b[38;5;28mstr\u001b[39m]:\n\u001b[1;32m 3768\u001b[0m \u001b[38;5;250m \u001b[39m\u001b[38;5;124;03m\"\"\"\u001b[39;00m\n\u001b[1;32m 3769\u001b[0m \u001b[38;5;124;03m Convert a list of lists of token ids into a list of strings by calling decode.\u001b[39;00m\n\u001b[1;32m 3770\u001b[0m \n\u001b[0;32m (...)\u001b[0m\n\u001b[1;32m 3783\u001b[0m \u001b[38;5;124;03m `List[str]`: The list of decoded sentences.\u001b[39;00m\n\u001b[1;32m 3784\u001b[0m \u001b[38;5;124;03m \"\"\"\u001b[39;00m\n\u001b[1;32m 3785\u001b[0m \u001b[38;5;28;01mreturn\u001b[39;00m [\n\u001b[0;32m-> 3786\u001b[0m \u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mdecode\u001b[49m\u001b[43m(\u001b[49m\n\u001b[1;32m 3787\u001b[0m \u001b[43m \u001b[49m\u001b[43mseq\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 3788\u001b[0m \u001b[43m \u001b[49m\u001b[43mskip_special_tokens\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mskip_special_tokens\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 3789\u001b[0m \u001b[43m \u001b[49m\u001b[43mclean_up_tokenization_spaces\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mclean_up_tokenization_spaces\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 3790\u001b[0m \u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43mkwargs\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 3791\u001b[0m \u001b[43m \u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m 3792\u001b[0m \u001b[38;5;28;01mfor\u001b[39;00m seq \u001b[38;5;129;01min\u001b[39;00m sequences\n\u001b[1;32m 3793\u001b[0m ]\n", + "File \u001b[0;32m~/miniforge3/envs/gemma_env_new/lib/python3.10/site-packages/transformers/tokenization_utils_base.py:3825\u001b[0m, in \u001b[0;36mPreTrainedTokenizerBase.decode\u001b[0;34m(self, token_ids, skip_special_tokens, clean_up_tokenization_spaces, **kwargs)\u001b[0m\n\u001b[1;32m 3822\u001b[0m \u001b[38;5;66;03m# Convert inputs to python lists\u001b[39;00m\n\u001b[1;32m 3823\u001b[0m token_ids \u001b[38;5;241m=\u001b[39m to_py_obj(token_ids)\n\u001b[0;32m-> 3825\u001b[0m \u001b[38;5;28;01mreturn\u001b[39;00m \u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43m_decode\u001b[49m\u001b[43m(\u001b[49m\n\u001b[1;32m 3826\u001b[0m \u001b[43m \u001b[49m\u001b[43mtoken_ids\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mtoken_ids\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 3827\u001b[0m \u001b[43m \u001b[49m\u001b[43mskip_special_tokens\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mskip_special_tokens\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 3828\u001b[0m \u001b[43m \u001b[49m\u001b[43mclean_up_tokenization_spaces\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mclean_up_tokenization_spaces\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 3829\u001b[0m \u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43mkwargs\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 3830\u001b[0m \u001b[43m\u001b[49m\u001b[43m)\u001b[49m\n", + "File \u001b[0;32m~/miniforge3/envs/gemma_env_new/lib/python3.10/site-packages/transformers/tokenization_utils_fast.py:625\u001b[0m, in \u001b[0;36mPreTrainedTokenizerFast._decode\u001b[0;34m(self, token_ids, skip_special_tokens, clean_up_tokenization_spaces, **kwargs)\u001b[0m\n\u001b[1;32m 623\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m \u001b[38;5;28misinstance\u001b[39m(token_ids, \u001b[38;5;28mint\u001b[39m):\n\u001b[1;32m 624\u001b[0m token_ids \u001b[38;5;241m=\u001b[39m [token_ids]\n\u001b[0;32m--> 625\u001b[0m text \u001b[38;5;241m=\u001b[39m \u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43m_tokenizer\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mdecode\u001b[49m\u001b[43m(\u001b[49m\u001b[43mtoken_ids\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mskip_special_tokens\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mskip_special_tokens\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m 627\u001b[0m clean_up_tokenization_spaces \u001b[38;5;241m=\u001b[39m (\n\u001b[1;32m 628\u001b[0m clean_up_tokenization_spaces\n\u001b[1;32m 629\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m clean_up_tokenization_spaces \u001b[38;5;129;01mis\u001b[39;00m \u001b[38;5;129;01mnot\u001b[39;00m \u001b[38;5;28;01mNone\u001b[39;00m\n\u001b[1;32m 630\u001b[0m \u001b[38;5;28;01melse\u001b[39;00m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mclean_up_tokenization_spaces\n\u001b[1;32m 631\u001b[0m )\n\u001b[1;32m 632\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m clean_up_tokenization_spaces:\n", + "\u001b[0;31mTypeError\u001b[0m: argument 'ids': Can't extract `str` to `Vec`" + ] + } + ], + "source": [ + "prompt = f\"[QED]0.02[/QED][START_SMILES]\"\n", + "len_prompt = len(prompt)\n", + "prompt = cus_tokenizer(prompt, return_tensors=\"pt\").to(model.device)\n", + "output = model.generate(prompt.input_ids, do_sample=False, max_length=30, return_dict_in_generate=True ,output_scores=True)\n", + "out = cus_tokenizer.batch_decode(output)\n", + "out" + ] + }, + { + "cell_type": "code", + "execution_count": 60, "metadata": {}, "outputs": [ { "data": { "text/plain": [ - "'what is the weight of aspirin.[/PROPERTY][PROPERTY]GHS Classification P261: Avoid breathing dust/fume/gas/mist/vapors/spray.[/PROPERTY][PROPERTY]GHS Classification P264: Wash hands [and …] thoroughly after handling.[/PROPERTY][PROPERTY]GHS Classification P264+P265: Wash hands [and …] thoroughly after handling. Do not touch eyes.[/PROPERTY][PROPERTY]GHS Classification P271: Use only outdoors or in a well-ventilated area.[/PROPERTY][PROPERTY]GHS Classification P280: Wear protective gloves/protective clothing/eye protection/face protection/hearing protection/...[/PROPERTY][PROPERTY]GHS Classification P302+P352: IF ON SKIN: wash with plenty of water/...[/PROPERTY][PROPERTY]GHS Classification P304+P340: IF INHALED: Remove person to fresh air and keep comfortable for breathing.[/PROPERTY][PROPERTY]GHS Classification P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing.[/PROPERTY][PROPERTY]GHS Classification P319: Get medical help if you feel unwell.[/PROPERTY][PROPERTY]GHS Classification P321: Specific treatment (see ... on this label).[/PROPERTY][PROPERTY]GHS Classification P332+P317: If skin irritation occurs: Get medical help.[/PROPERTY][PROPERTY]GHS Classification P337+P317: If eye irritation persists:'" + "(array([ 1., 0., 0., 0., 0., 0., 0., 0., 0., 1., 0.,\n", + " 0., 0., 0., 0., 1., 0., 0., 0., 0., 0., 1.,\n", + " 1., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0.,\n", + " 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 1.,\n", + " 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0.,\n", + " 0., 1., 0., 0., 1., 0., 0., 0., 0., 1., 0.,\n", + " 0., 0., 1., 0., 1., 0., 0., 0., 1., 0., 1.,\n", + " 0., 1., 1., 0., 0., 0., 0., 2., 0., 0., 0.,\n", + " 0., 1., 0., 1., 1., 0., 0., 0., 0., 0., 2.,\n", + " 1., 0., 1., 2., 1., 0., 0., 2., 1., 1., 0.,\n", + " 0., 0., 0., 0., 1., 1., 1., 0., 0., 0., 3.,\n", + " 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517., 436., 455., 468., 331., 477., 476., 470., 536.,\n", + " 476., 514., 510., 515., 495., 507., 348., 534., 504., 494., 498.,\n", + " 551., 508., 511., 488., 517., 560., 382., 559., 565., 576., 587.,\n", + " 591., 540., 543., 580., 581., 572., 360., 566., 594., 552., 584.,\n", + " 584., 567., 594., 586., 632., 578., 398., 599., 604., 626., 614.,\n", + " 578., 593., 589., 606., 546., 539., 389., 631., 598., 618., 569.,\n", + " 611., 662., 603., 560., 609., 576., 435., 588., 601., 588., 598.,\n", + " 554., 556., 591., 579., 515., 636., 399., 619., 568., 549., 624.,\n", + " 593., 626., 603., 607., 542., 571., 400., 538., 594., 574., 593.,\n", + " 584., 576., 500., 518., 574., 589., 386., 524., 586., 540., 535.,\n", + " 572., 527., 594., 534., 569., 547., 551., 357., 552., 501., 532.,\n", + " 564., 563., 508., 552., 540., 531., 534., 366., 552., 550., 514.,\n", + " 565., 526., 595., 534., 552., 539., 560., 353., 507., 545., 514.,\n", + " 508., 558., 565., 529., 545., 561., 589., 349., 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37., 68.,\n", + " 44., 51., 23., 28., 12., 17., 8., 12., 10., 9., 6.,\n", + " 3., 7., 4., 7., 4., 2., 1., 1., 3., 0., 2.,\n", + " 0., 2., 0., 2., 3., 1., 2., 3., 1., 0., 1.,\n", + " 1., 1., 0., 1., 0., 0., 0., 1., 0., 2., 0.,\n", + " 0., 0., 1., 1., 1., 1., 0., 1., 2., 0., 1.,\n", + " 0., 1., 1., 1., 0., 4., 0., 0., 0., 0., 2.,\n", + " 1., 1., 0., 2., 0., 0., 0., 0., 0., 1.]),\n", + " array([-21.859375 , -21.67751503, -21.49565697, ..., 159.63627625,\n", + " 159.81814575, 160. ]),\n", + " )" ] }, - "execution_count": 7, + "execution_count": 60, "metadata": {}, "output_type": "execute_result" + }, + { + "data": { + "image/png": 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", + "text/plain": [ + "
" + ] + }, + "metadata": {}, + "output_type": "display_data" } ], "source": [ - "prompt = f\"what is the weight of aspirin\"\n", - "len_prompt = len(prompt)\n", - "prompt = cus_tokenizer(prompt, return_tensors=\"pt\").to(model.device)\n", - "out = model.generate(prompt.input_ids, do_sample=False, max_length=300)\n", - "out = cus_tokenizer.batch_decode(out)[0]\n", - "out" + "plt.hist(output['scores'][1].cpu().numpy()[0], bins=1000)" ] }, { @@ -239,18 +406,154 @@ }, { "cell_type": "code", - "execution_count": 24, + "execution_count": 14, "metadata": {}, - "outputs": [], + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "[QED]0.00[/QED][NUMAROMATICCARBOCYCLES]12[/NUMAROMATICCARBOCYCLES][FORMULA]C154H193ClN18O27S[/FORMULA][START_SMILES]CC(C)(C)OC(=O)N1CCC(C(=O)O)CC1.CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1.CC(C)(C)OC(=O)N1CCC(C(N)=O)CC1.CC(C)(C)OC(=O)N1CCC(C(N)=O)CC1.CC(C)(C)OC(=O)N1CCC(C(N)=O)CC1.CC(C)(C)OC(=O)N1CCC(C(N)=O)CC1.CC(C)(C)OC(=O)N1CCC(C(N)=O)CC1.CC(C)(C)OC(=O)N1CCC(C(N)=O)CC1.CC(C)(C)OC(=O)N1CCC(C(N)=O)CC1.CC(C)(C)OC(=O)N1CCC(C(N)=O)CC1.NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1.NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1[END_SMILES]\n", + "GT: 0.0 Gen: 0.05 diff: 0.05 CC(C)(C)OC(=O)N1CCC(C(=O)O)CC1.CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1.CC(C)(C)OC(=O)N1CCC(C(N)=O)CC1.CC(C)(C)OC(=O)N1CCC(C(N)=O)CC1.CC(C)(C)OC(=O)N1CCC(C(N)=O)CC1.CC(C)(C)OC(=O)N1CCC(C(N)=O)CC1.CC(C)(C)OC(=O)N1CCC(C(N)=O)CC1.CC(C)(C)OC(=O)N1CCC(C(N)=O)CC1.CC(C)(C)OC(=O)N1CCC(C(N)=O)CC1.CC(C)(C)OC(=O)N1CCC(C(N)=O)CC1.NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1.NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1\n", + "****\n", + "GT: 0.01 [QED]0.01[/QED][RINGCOUNT]2[/RINGCOUNT][FORMULA]C134H196N18O25[/FORMULA][START_SMILES]CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C\n", + "[QED]0.02[/QED][RINGCOUNT]1[/RINGCOUNT][NUMAROMATICHETEROCYCLES]0[/NUMAROMATICHETEROCYCLES][FORMULA]C53H94O12[/FORMULA][SAS]5.16[/SAS][NUMHDONORS]7[/NUMHDONORS][START_SMILES]CCC=CCC=CCC=CCC=CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC1OC(CO)C(O)C(O)C1O[END_SMILES]\n", + "GT: 0.02 Gen: 0.03 diff: 0.01 CCC=CCC=CCC=CCC=CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC1OC(CO)C(O)C(O)C1O\n", + "[QED]0.03[/QED][RINGCOUNT]1[/RINGCOUNT][NUMHDONORS]2[/NUMHDONORS][FORMULA]C48H86O11[/FORMULA][START_SMILES]CCCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC1OC(CO)C(O)C(O)C1O[END_SMILES]\n", + "GT: 0.03 Gen: 0.03 diff: 0.0 CCCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC1OC(CO)C(O)C(O)C1O\n", + "[QED]0.04[/QED][RINGCOUNT]1[/RINGCOUNT][NUMHDONORS]2[/NUMHDONORS][START_SMILES]CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCC=CCC1C(O)CC(O)C1C=CC(O)CCCCC[END_SMILES]\n", + "GT: 0.04 Gen: 0.02 diff: 0.02 CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCC=CCC1C(O)CC(O)C1C=CC(O)CCCCC\n", + "[QED]0.05[/QED][RINGCOUNT]1[/RINGCOUNT][FORMULA]C32H54N6O10[/FORMULA][SAS]3.98[/SAS][WEIGHT]682.39[/WEIGHT][START_SMILES]CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)C(CC(N)=O)NC(=O)CN)C(=O)O[END_SMILES]\n", + "GT: 0.05 Gen: 0.07 diff: 0.02 CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)C(CC(N)=O)NC(=O)CN)C(=O)O\n", + "[QED]0.06[/QED][RINGCOUNT]1[/RINGCOUNT][NUMAROMATICHETEROCYCLES]0[/NUMAROMATICHETEROCYCLES][NUMAROMATICCARBOCYCLES]1[/NUMAROMATICCARBOCYCLES][FORMULA]C32H54N2O10[/FORMULA][SAS]3.89[/SAS][NUMAROMATICRINGS]1[/NUMAROMATICRINGS][CLOGP]3.71[/CLOGP][NUMROTATABLEBONDS]23[/NUMROTATABLEBONDS][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][NUMHACCEPTORS]10[/NUMHACCEPTORS][HEAVYATOMCOUNT]44[/HEAVYATOMCOUNT][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][FRACTIONCSP3]0.69[/FRACTIONCSP3][START_SMILES]CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)OO[END_SMILES]\n", + "GT: 0.06 Gen: 0.12 diff: 0.06 CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)OO\n", + "[QED]0.07[/QED][NUMAROMATICCARBOCYCLES]2[/NUMAROMATICCARBOCYCLES][NUMAROMATICHETEROCYCLES]0[/NUMAROMATICHETEROCYCLES][FORMULA]C34H48N2O10[/FORMULA][SAS]3.95[/SAS][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][NUMAROMATICRINGS]2[/NUMAROMATICRINGS][IUPAC](2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-[(2S)-2-formylbutoxy]propanoic acid[/IUPAC][NOCOUNT]12[/NOCOUNT][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][CLOGP]1.36[/CLOGP][NUMROTATABLEBONDS]20[/NUMROTATABLEBONDS][RINGCOUNT]2[/RINGCOUNT][TPSA]197.15[/TPSA][NUMHDONORS]7[/NUMHDONORS][NHOHCOUNT]8[/NHOHCOUNT][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][START_SMILES]CCC(C=O)COCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)Cc1ccc(O)cc1)C(C)C)C(C)C)C(C)C)C(=O)O[END_SMILES]\n", + "GT: 0.07 Gen: 0.1 diff: 0.03 CCC(C=O)COCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)Cc1ccc(O)cc1)C(C)C)C(C)C)C(C)C)C(=O)O\n", + "[QED]0.08[/QED][RINGCOUNT]1[/RINGCOUNT][NUMAROMATICHETEROCYCLES]0[/NUMAROMATICHETEROCYCLES][FORMULA]C24H39N5O10[/FORMULA][START_SMILES]CC(C)CC(NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(N)Cc1ccc(O)cc1)C(=O)O[END_SMILES]\n", + "GT: 0.08 Gen: 0.13 diff: 0.05 CC(C)CC(NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(N)Cc1ccc(O)cc1)C(=O)O\n", + "[QED]0.09[/QED][RINGCOUNT]1[/RINGCOUNT][NUMHDONORS]2[/NUMHDONORS][FORMULA]C24H38N2O10[/FORMULA][SAS]3.56[/SAS][START_SMILES]CCOC(=O)C(C)(C)Oc1ccc(CC(NC(=O)OC(C)(C)C)C(=O)OCC(C)OC(=O)CN)cc1OC[END_SMILES]\n", + "GT: 0.09 Gen: 0.28 diff: 0.19 CCOC(=O)C(C)(C)Oc1ccc(CC(NC(=O)OC(C)(C)C)C(=O)OCC(C)OC(=O)CN)cc1OC\n", + "[QED]0.10[/QED][NOCOUNT]12[/NOCOUNT][START_SMILES]CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(CC(C)C)C(=O)C1(C)CO1[END_SMILES]\n", + "GT: 0.1 Gen: 0.28 diff: 0.18 CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(CC(C)C)C(=O)C1(C)CO1\n", + "[QED]0.11[/QED][RINGCOUNT]4[/RINGCOUNT][START_SMILES]CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)C(N)Cc1ccccc1)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NC(C)C(=O)O[END_SMILES]\n", + "GT: 0.11 Gen: 0.05 diff: 0.06 CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)C(N)Cc1ccccc1)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NC(C)C(=O)O\n", + "[QED]0.12[/QED][RINGCOUNT]4[/RINGCOUNT][NUMAROMATICHETEROCYCLES]0[/NUMAROMATICHETEROCYCLES][START_SMILES]CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(CC1CCCCC1)C(=O)NC(C)(C)C[END_SMILES]\n", + "GT: 0.12 Gen: 0.22 diff: 0.1 CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(CC1CCCCC1)C(=O)NC(C)(C)C\n", + "[QED]0.13[/QED][RINGCOUNT]4[/RINGCOUNT][NUMAROMATICHETEROCYCLES]0[/NUMAROMATICHETEROCYCLES][START_SMILES]CC(C)c1ccc(C(=O)NC(Cc2ccccc2)C(=O)N2CCC3(CC2)C(=O)N(CC(=O)OC(C)(C)C)CN3c2ccccc2)cc1[END_SMILES]\n", + "GT: 0.13 Gen: 0.33 diff: 0.2 CC(C)c1ccc(C(=O)NC(Cc2ccccc2)C(=O)N2CCC3(CC2)C(=O)N(CC(=O)OC(C)(C)C)CN3c2ccccc2)cc1\n", + "[QED]0.14[/QED][RINGCOUNT]5[/RINGCOUNT][NUMAROMATICHETEROCYCLES]0[/NUMAROMATICHETEROCYCLES][NUMHDONORS]2[/NUMHDONORS][NOCOUNT]10[/NOCOUNT][TPSA]139.80[/TPSA][CLOGP]6.70[/CLOGP][NUMROTATABLEBONDS]10[/NUMROTATABLEBONDS][WEIGHT]652.22[/WEIGHT][NUMHACCEPTORS]8[/NUMHACCEPTORS][NUMAROMATICCARBOCYCLES]4[/NUMAROMATICCARBOCYCLES][START_SMILES]CC(C)(C)OC(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)Oc1ccc2c(c1)OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O[END_SMILES]\n", + "GT: 0.14 Gen: 0.07 diff: 0.07 CC(C)(C)OC(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)Oc1ccc2c(c1)OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O\n", + "[QED]0.15[/QED][RINGCOUNT]4[/RINGCOUNT][NUMAROMATICHETEROCYCLES]0[/NUMAROMATICHETEROCYCLES][NOCOUNT]10[/NOCOUNT][NUMAROMATICCARBOCYCLES]3[/NUMAROMATICCARBOCYCLES][START_SMILES]CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(CC1CCCCC1)C(=O)C1(C)CO1[END_SMILES]\n", + "GT: 0.15 Gen: 0.25 diff: 0.1 CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(CC1CCCCC1)C(=O)C1(C)CO1\n", + "[QED]0.16[/QED][RINGCOUNT]5[/RINGCOUNT][NUMAROMATICHETEROCYCLES]2[/NUMAROMATICHETEROCYCLES][START_SMILES]CC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2ccc3c(c2)oc2cc(N(c4ccc(C(C)C)cc4)c4ccc(C(C)C)cc4)ccc23)cc1[END_SMILES]\n", + "GT: 0.16 Gen: 0.14 diff: 0.02 CC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2ccc3c(c2)oc2cc(N(c4ccc(C(C)C)cc4)c4ccc(C(C)C)cc4)ccc23)cc1\n", + "[QED]0.17[/QED][NUMAROMATICCARBOCYCLES]2[/NUMAROMATICCARBOCYCLES][NUMAROMATICHETEROCYCLES]0[/NUMAROMATICHETEROCYCLES][FORMULA]C30H46N2O5[/FORMULA][NUMAROMATICRINGS]2[/NUMAROMATICRINGS][SAS]2.98[/SAS][CLOGP]6.21[/CLOGP][HEAVYATOMCOUNT]37[/HEAVYATOMCOUNT][TPSA]80.29[/TPSA][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NUMHACCEPTORS]7[/NUMHACCEPTORS][NUMROTATABLEBONDS]16[/NUMROTATABLEBONDS][NUMHETEROATOMS]7[/NUMHETEROATOMS][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][FRACTIONCSP3]0.57[/FRACTIONCSP3][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][START_SMILES]CC(C)c1cc(C(C)C)c(OCCOCCOCCOc2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(C)C)c1.N=O[END_SMILES]\n", + "GT: 0.17 Gen: 0.15 diff: 0.02 CC(C)c1cc(C(C)C)c(OCCOCCOCCOc2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(C)C)c1.N=O\n", + "[QED]0.18[/QED][RINGCOUNT]5[/RINGCOUNT][NUMAROMATICHETEROCYCLES]2[/NUMAROMATICHETEROCYCLES][START_SMILES]CC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2ccc3c(c2)oc2cc(N(c4ccc(C(C)C)cc4)c4ccc(C(C)C)cc4)ccc23)cc1[END_SMILES]\n", + "GT: 0.18 Gen: 0.14 diff: 0.04 CC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2ccc3c(c2)oc2cc(N(c4ccc(C(C)C)cc4)c4ccc(C(C)C)cc4)ccc23)cc1\n", + "[QED]0.19[/QED][RINGCOUNT]5[/RINGCOUNT][NUMROTATABLEBONDS]10[/NUMROTATABLEBONDS][FORMULA]C32H34N6O4[/FORMULA][SAS]3.18[/SAS][WEIGHT]566.26[/WEIGHT][NUMAROMATICCARBOCYCLES]3[/NUMAROMATICCARBOCYCLES][HEAVYATOMCOUNT]42[/HEAVYATOMCOUNT][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NUMHETEROATOMS]10[/NUMHETEROATOMS][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][START_SMILES]CC(C)c1ccc(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc(OCC5CC=NN5)cc4)n3)c3ccccc23)cc1[END_SMILES]\n", + "GT: 0.19 Gen: 0.13 diff: 0.06 CC(C)c1ccc(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc(OCC5CC=NN5)cc4)n3)c3ccccc23)cc1\n", + "[QED]0.20[/QED][RINGCOUNT]5[/RINGCOUNT][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][START_SMILES]CC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccc(C(C)C)cc4)c4ccc(C(C)C)cc4)c4c(oc5ccccc54)c2-3)cc1[END_SMILES]\n", + "GT: 0.2 Gen: 0.14 diff: 0.06 CC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccc(C(C)C)cc4)c4ccc(C(C)C)cc4)c4c(oc5ccccc54)c2-3)cc1\n", + "[QED]0.21[/QED][RINGCOUNT]4[/RINGCOUNT][NUMAROMATICHETEROCYCLES]0[/NUMAROMATICHETEROCYCLES][CLOGP]6.35[/CLOGP][NUMROTATABLEBONDS]10[/NUMROTATABLEBONDS][START_SMILES]CC(C)c1ccc(C(C)C)c(C(=O)C(C(=O)c2cc(C(C)C)ccc2C(C)C)c2ccccc2)c1[END_SMILES]\n", + "GT: 0.21 Gen: 0.23 diff: 0.02 CC(C)c1ccc(C(C)C)c(C(=O)C(C(=O)c2cc(C(C)C)ccc2C(C)C)c2ccccc2)c1\n", + "[QED]0.22[/QED][RINGCOUNT]4[/RINGCOUNT][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][CLOGP]5.36[/CLOGP][START_SMILES]CC(C)c1ccc(C=NNC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1[END_SMILES]\n", + "GT: 0.22 Gen: 0.19 diff: 0.03 CC(C)c1ccc(C=NNC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1\n", + "[QED]0.23[/QED][RINGCOUNT]4[/RINGCOUNT][NUMHDONORS]1[/NUMHDONORS][FORMULA]C28H27ClN2O5S[/FORMULA][SAS]2.69[/SAS][WEIGHT]538.13[/WEIGHT][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][START_SMILES]CCOC(=O)c1c(NC(=O)COc2ccc(Cl)cc2C)sc(C)c1-c1ccc2c(c1)CCN2C(C)=O[END_SMILES]\n", + "GT: 0.23 Gen: 0.39 diff: 0.16 CCOC(=O)c1c(NC(=O)COc2ccc(Cl)cc2C)sc(C)c1-c1ccc2c(c1)CCN2C(C)=O\n", + "[QED]0.24[/QED][RINGCOUNT]5[/RINGCOUNT][NUMROTATABLEBONDS]10[/NUMROTATABLEBONDS][NUMHDONORS]3[/NUMHDONORS][SAS]3.68[/SAS][START_SMILES]CC(C)c1cc(Nc2nc(N3CCCC3C(=O)NCc3ccc(Cl)cc3)nc3c2CCC3)n[nH]1.CC(C)c1cc(Nc2nc(N3CCCC3C(=O)NCc3ccc(Cl)cc3)nc3c2CCC3)n[nH]1[END_SMILES]\n", + "GT: 0.24 Gen: 0.06 diff: 0.18 CC(C)c1cc(Nc2nc(N3CCCC3C(=O)NCc3ccc(Cl)cc3)nc3c2CCC3)n[nH]1.CC(C)c1cc(Nc2nc(N3CCCC3C(=O)NCc3ccc(Cl)cc3)nc3c2CCC3)n[nH]1\n", + "[QED]0.25[/QED][RINGCOUNT]4[/RINGCOUNT][NUMROTATABLEBONDS]10[/NUMROTATABLEBONDS][NUMAROMATICRINGS]3[/NUMAROMATICRINGS][START_SMILES]CC(C)c1ccc(C(C)C)c(C(C)C)c1.CC(C)c1ccc(C(C)C)c(C(C)C)c1.CC(C)c1ccc(C(C)C)c(C(C)C)c1[END_SMILES]\n", + "GT: 0.25 Gen: 0.23 diff: 0.02 CC(C)c1ccc(C(C)C)c(C(C)C)c1.CC(C)c1ccc(C(C)C)c(C(C)C)c1.CC(C)c1ccc(C(C)C)c(C(C)C)c1\n", + "[QED]0.26[/QED][RINGCOUNT]4[/RINGCOUNT][NUMHDONORS]1[/NUMHDONORS][FORMULA]C28H30N2O5[/FORMULA][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][START_SMILES]CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(OC)cc3)c(OCC)c2)cc1[END_SMILES]\n", + "GT: 0.26 Gen: 0.21 diff: 0.05 CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(OC)cc3)c(OCC)c2)cc1\n", + "[QED]0.27[/QED][RINGCOUNT]4[/RINGCOUNT][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][CLOGP]5.36[/CLOGP][NUMROTATABLEBONDS]10[/NUMROTATABLEBONDS][NHOHCOUNT]1[/NHOHCOUNT][SAS]2.98[/SAS][TPSA]102.01[/TPSA][HEAVYATOMCOUNT]39[/HEAVYATOMCOUNT][NUMHACCEPTORS]7[/NUMHACCEPTORS][NUMHDONORS]1[/NUMHDONORS][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMHETEROATOMS]10[/NUMHETEROATOMS][NOCOUNT]9[/NOCOUNT][NUMSATURATEDRINGS]1[/NUMSATURATEDRINGS][FRACTIONCSP3]0.34[/FRACTIONCSP3][NUMAROMATICRINGS]3[/NUMAROMATICRINGS][NUMALIPHATICRINGS]1[/NUMALIPHATICRINGS][NUMAROMATICCARBOCYCLES]2[/NUMAROMATICCARBOCYCLES][NUMALIPHATICHETEROCYCLES]1[/NUMALIPHATICHETEROCYCLES][WEIGHT]550.21[/WEIGHT][NUMSATURATEDHETEROCYCLES]1[/NUMSATURATEDHETEROCYCLES][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][FORMULA]C29H31ClN4O5[/FORMULA][IUPAC](4E)-4-[(3-chloro-4-ethoxyphenyl)-hydroxymethylidene]-1-[3-(dimethylamino)propyl]-5-(3-phenylmethoxypyrazin-2-yl)pyrrolidine-2,3-dione[/IUPAC][START_SMILES]CCOc1ccc(C(O)=C2C(=O)C(=O)N(CCCN(C)C)C2c2nccnc2OCc2ccccc2)cc1Cl[END_SMILES]\n", + "GT: 0.27 Gen: 0.21 diff: 0.06 CCOc1ccc(C(O)=C2C(=O)C(=O)N(CCCN(C)C)C2c2nccnc2OCc2ccccc2)cc1Cl\n", + "[QED]0.28[/QED][RINGCOUNT]4[/RINGCOUNT][NUMROTATABLEBONDS]10[/NUMROTATABLEBONDS][FORMULA]C29H35N3O4S[/FORMULA][SAS]2.76[/SAS][NUMAROMATICRINGS]3[/NUMAROMATICRINGS][WEIGHT]521.23[/WEIGHT][HEAVYATOMCOUNT]37[/HEAVYATOMCOUNT][NUMHACCEPTORS]5[/NUMHACCEPTORS][NUMSATURATEDRINGS]1[/NUMSATURATEDRINGS][NUMHETEROATOMS]8[/NUMHETEROATOMS][NUMAROMATICHETEROCYCLES]0[/NUMAROMATICHETEROCYCLES][NUMAROMATICCARBOCYCLES]3[/NUMAROMATICCARBOCYCLES][NUMALIPHATICRINGS]1[/NUMALIPHATICRINGS][CLOGP]4.57[/CLOGP][FRACTIONCSP3]0.34[/FRACTIONCSP3][NUMSATURATEDHETEROCYCLES]1[/NUMSATURATEDHETEROCYCLES][TPSA]87.74[/TPSA][START_SMILES]CC(C)CNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(N2CCCC2=O)cc1.Cc1ccccc1[END_SMILES]\n", + "GT: 0.28 Gen: 0.42 diff: 0.14 CC(C)CNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(N2CCCC2=O)cc1.Cc1ccccc1\n", + "[QED]0.29[/QED][RINGCOUNT]4[/RINGCOUNT][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][NOCOUNT]8[/NOCOUNT][START_SMILES]CC(C)c1ccc(C=NNC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1[N+](=O)[O-][END_SMILES]\n", + "GT: 0.29 Gen: 0.12 diff: 0.17 CC(C)c1ccc(C=NNC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1[N+](=O)[O-]\n", + "[QED]0.30[/QED][RINGCOUNT]4[/RINGCOUNT][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][CLOGP]5.29[/CLOGP][START_SMILES]CC(C)c1ccc(C=NNC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1[END_SMILES]\n", + "GT: 0.3 Gen: 0.19 diff: 0.11 CC(C)c1ccc(C=NNC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1\n", + "[QED]0.31[/QED][RINGCOUNT]4[/RINGCOUNT][NUMAROMATICHETEROCYCLES]2[/NUMAROMATICHETEROCYCLES][START_SMILES]CC(C)c1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1[END_SMILES]\n", + "GT: 0.31 Gen: 0.41 diff: 0.1 CC(C)c1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1\n", + "[QED]0.32[/QED][RINGCOUNT]4[/RINGCOUNT][NUMROTATABLEBONDS]10[/NUMROTATABLEBONDS][NUMAROMATICRINGS]3[/NUMAROMATICRINGS][START_SMILES]CC(C)c1ccc(C(C)C)c(C(=O)N(Cc2ccc(C(=O)NCc3ccccn3)cc2)C2CCN(CCC(C)(C)C)CC2)c1[END_SMILES]\n", + "GT: 0.32 Gen: 0.25 diff: 0.07 CC(C)c1ccc(C(C)C)c(C(=O)N(Cc2ccc(C(=O)NCc3ccccn3)cc2)C2CCN(CCC(C)(C)C)CC2)c1\n", + "[QED]0.33[/QED][RINGCOUNT]4[/RINGCOUNT][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][START_SMILES]CC(C)c1ccc(C=NNC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1[END_SMILES]\n", + "GT: 0.33 Gen: 0.19 diff: 0.14 CC(C)c1ccc(C=NNC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1\n", + "[QED]0.34[/QED][RINGCOUNT]5[/RINGCOUNT][NUMROTATABLEBONDS]6[/NUMROTATABLEBONDS][NUMAROMATICRINGS]4[/NUMAROMATICRINGS][NUMHETEROATOMS]10[/NUMHETEROATOMS][SAS]2.98[/SAS][NUMHDONORS]1[/NUMHDONORS][NUMHACCEPTORS]7[/NUMHACCEPTORS][NUMSATURATEDRINGS]1[/NUMSATURATEDRINGS][NUMALIPHATICRINGS]1[/NUMALIPHATICRINGS][HEAVYATOMCOUNT]36[/HEAVYATOMCOUNT][CLOGP]4.51[/CLOGP][NUMAROMATICCARBOCYCLES]2[/NUMAROMATICCARBOCYCLES][NUMAROMATICHETEROCYCLES]2[/NUMAROMATICHETEROCYCLES][TPSA]101.29[/TPSA][WEIGHT]505.16[/WEIGHT][FRACTIONCSP3]0.27[/FRACTIONCSP3][NUMSATURATEDHETEROCYCLES]1[/NUMSATURATEDHETEROCYCLES][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NOCOUNT]8[/NOCOUNT][NUMALIPHATICHETEROCYCLES]1[/NUMALIPHATICHETEROCYCLES][NHOHCOUNT]1[/NHOHCOUNT][IUPAC]N-[4-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxamide;hydrate[/IUPAC][FORMULA]C26H27FN4O4S[/FORMULA][START_SMILES]Cc1cc(C(=O)N2CCCC2C(=O)Nc2ccc(-c3sc(-c4ccc(F)cc4)nc3C)cc2)no1.O[END_SMILES]\n", + "GT: 0.34 Gen: 0.42 diff: 0.08 Cc1cc(C(=O)N2CCCC2C(=O)Nc2ccc(-c3sc(-c4ccc(F)cc4)nc3C)cc2)no1.O\n", + "[QED]0.35[/QED][NUMAROMATICCARBOCYCLES]2[/NUMAROMATICCARBOCYCLES][NOCOUNT]6[/NOCOUNT][RINGCOUNT]4[/RINGCOUNT][START_SMILES]CC(C)c1ccc(C=NNC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1[END_SMILES]\n", + "GT: 0.35000000000000003 Gen: 0.32 diff: 0.03 CC(C)c1ccc(C=NNC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1\n", + "[QED]0.36[/QED][NUMAROMATICCARBOCYCLES]2[/NUMAROMATICCARBOCYCLES][NUMHDONORS]1[/NUMHDONORS][START_SMILES]CC(C)c1ccc(C=NNC(=O)COc2ccc(Cl)cc2Br)cc1[END_SMILES]\n", + "GT: 0.36 Gen: 0.55 diff: 0.19 CC(C)c1ccc(C=NNC(=O)COc2ccc(Cl)cc2Br)cc1\n", + "[QED]0.37[/QED][RINGCOUNT]4[/RINGCOUNT][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][CLOGP]5.29[/CLOGP][START_SMILES]CC(C)c1ccc(C=NNC(=O)c2cc(-c3ccc(OCc4ccccc4)cc3)n[nH]2)cc1[END_SMILES]\n", + "GT: 0.37 Gen: 0.28 diff: 0.09 CC(C)c1ccc(C=NNC(=O)c2cc(-c3ccc(OCc4ccccc4)cc3)n[nH]2)cc1\n", + "[QED]0.38[/QED][RINGCOUNT]4[/RINGCOUNT][NUMROTATABLEBONDS]6[/NUMROTATABLEBONDS][NUMAROMATICRINGS]4[/NUMAROMATICRINGS][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][START_SMILES]Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1NC(=O)c1ccco1[END_SMILES]\n", + "GT: 0.38 Gen: 0.3 diff: 0.08 Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1NC(=O)c1ccco1\n", + "[QED]0.39[/QED][RINGCOUNT]4[/RINGCOUNT][NUMROTATABLEBONDS]6[/NUMROTATABLEBONDS][NUMAROMATICRINGS]3[/NUMAROMATICRINGS][START_SMILES]CC(C)c1ccc(C2C(=C(O)c3ccc(Cl)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1[END_SMILES]\n", + "GT: 0.39 Gen: 0.32 diff: 0.07 CC(C)c1ccc(C2C(=C(O)c3ccc(Cl)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1\n", + "[QED]0.40[/QED][NUMAROMATICCARBOCYCLES]2[/NUMAROMATICCARBOCYCLES][FORMULA]C23H25N3O5[/FORMULA][RINGCOUNT]3[/RINGCOUNT][START_SMILES]CCOc1ccc(C(=O)NN=Cc2ccc(OCC(=O)NC3CC3)c(OC)c2)cc1[END_SMILES]\n", + "GT: 0.4 Gen: 0.46 diff: 0.06 CCOc1ccc(C(=O)NN=Cc2ccc(OCC(=O)NC3CC3)c(OC)c2)cc1\n", + "[QED]0.41[/QED][RINGCOUNT]3[/RINGCOUNT][NUMROTATABLEBONDS]6[/NUMROTATABLEBONDS][SAS]2.57[/SAS][NUMAROMATICRINGS]3[/NUMAROMATICRINGS][START_SMILES]CC(C)c1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2N)cc1[END_SMILES]\n", + "GT: 0.41000000000000003 Gen: 0.51 diff: 0.1 CC(C)c1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2N)cc1\n", + "[QED]0.42[/QED][RINGCOUNT]3[/RINGCOUNT][NUMROTATABLEBONDS]10[/NUMROTATABLEBONDS][FORMULA]C25H31N3O4[/FORMULA][START_SMILES]CCOc1ccc(NC(=O)C(C)OC(=O)CCCc2c(C)nc3cc(C)nn3c2C)cc1[END_SMILES]\n", + "GT: 0.42 Gen: 0.51 diff: 0.09 CCOc1ccc(NC(=O)C(C)OC(=O)CCCc2c(C)nc3cc(C)nn3c2C)cc1\n", + "[QED]0.43[/QED][NUMAROMATICCARBOCYCLES]2[/NUMAROMATICCARBOCYCLES][NOCOUNT]6[/NOCOUNT][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][WEIGHT]458.17[/WEIGHT][NUMAROMATICRINGS]3[/NUMAROMATICRINGS][CLOGP]5.91[/CLOGP][NUMROTATABLEBONDS]8[/NUMROTATABLEBONDS][RINGCOUNT]3[/RINGCOUNT][FRACTIONCSP3]0.32[/FRACTIONCSP3][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][TPSA]73.22[/TPSA][NUMHACCEPTORS]5[/NUMHACCEPTORS][NUMHDONORS]1[/NUMHDONORS][NUMHETEROATOMS]7[/NUMHETEROATOMS][HEAVYATOMCOUNT]32[/HEAVYATOMCOUNT][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][SAS]2.33[/SAS][NHOHCOUNT]1[/NHOHCOUNT][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][FORMULA]C25H27ClN2O4[/FORMULA][IUPAC][2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxoacetate[/IUPAC][START_SMILES]Cc1ccc(-n2c(C)cc(C(=O)C(=O)OCC(=O)Nc3c(C)cc(C)cc3Cl)c2C)cc1[END_SMILES]\n", + "GT: 0.43 Gen: 0.32 diff: 0.11 Cc1ccc(-n2c(C)cc(C(=O)C(=O)OCC(=O)Nc3c(C)cc(C)cc3Cl)c2C)cc1\n", + "[QED]0.44[/QED][RINGCOUNT]3[/RINGCOUNT][NUMROTATABLEBONDS]10[/NUMROTATABLEBONDS][NUMAROMATICRINGS]2[/NUMAROMATICRINGS][START_SMILES]CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1ccco1)C(=O)NC(C=O)C1CCCCC1[END_SMILES]\n", + "GT: 0.44 Gen: 0.39 diff: 0.05 CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1ccco1)C(=O)NC(C=O)C1CCCCC1\n", + "[QED]0.45[/QED][RINGCOUNT]3[/RINGCOUNT][NUMROTATABLEBONDS]6[/NUMROTATABLEBONDS][NUMAROMATICRINGS]3[/NUMAROMATICRINGS][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][SAS]2.19[/SAS][WEIGHT]478.09[/WEIGHT][HEAVYATOMCOUNT]32[/HEAVYATOMCOUNT][NUMHACCEPTORS]5[/NUMHACCEPTORS][NUMAROMATICHETEROCYCLES]0[/NUMAROMATICHETEROCYCLES][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NUMAROMATICCARBOCYCLES]3[/NUMAROMATICCARBOCYCLES][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][CLOGP]5.13[/CLOGP][TPSA]84.94[/TPSA][FRACTIONCSP3]0.13[/FRACTIONCSP3][NUMHDONORS]1[/NUMHDONORS][NUMHETEROATOMS]9[/NUMHETEROATOMS][NOCOUNT]7[/NOCOUNT][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NHOHCOUNT]1[/NHOHCOUNT][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][FORMULA]C23H20Cl2N2O5[/FORMULA][IUPAC][2-(2,4-dichloroanilino)-2-oxoethyl] 2-(2-methoxy-5-methylphenyl)-1,3-dioxoisoindole-5-carboxylate[/IUPAC][START_SMILES]COc1ccc(C)cc1N1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(Cl)cc3Cl)cc2C1=O[END_SMILES]\n", + "GT: 0.45 Gen: 0.37 diff: 0.08 COc1ccc(C)cc1N1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(Cl)cc3Cl)cc2C1=O\n", + "[QED]0.46[/QED][RINGCOUNT]3[/RINGCOUNT][NUMROTATABLEBONDS]7[/NUMROTATABLEBONDS][NUMHDONORS]1[/NUMHDONORS][START_SMILES]CC(C)c1ccc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1[END_SMILES]\n", + "GT: 0.46 Gen: 0.38 diff: 0.08 CC(C)c1ccc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1\n", + "[QED]0.47[/QED][RINGCOUNT]3[/RINGCOUNT][CLOGP]4.12[/CLOGP][NUMROTATABLEBONDS]6[/NUMROTATABLEBONDS][SAS]2.58[/SAS][NUMHDONORS]1[/NUMHDONORS][HEAVYATOMCOUNT]29[/HEAVYATOMCOUNT][NUMHACCEPTORS]5[/NUMHACCEPTORS][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NUMAROMATICRINGS]3[/NUMAROMATICRINGS][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][NOCOUNT]6[/NOCOUNT][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][FRACTIONCSP3]0.14[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMAROMATICCARBOCYCLES]2[/NUMAROMATICCARBOCYCLES][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][WEIGHT]411.10[/WEIGHT][TPSA]85.36[/TPSA][NUMHETEROATOMS]8[/NUMHETEROATOMS][NHOHCOUNT]1[/NHOHCOUNT][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][FORMULA]C21H18ClN3O3S[/FORMULA][IUPAC](E)-N-[1-(4-chlorophenyl)ethyl]-3-[4-(4-methyl-2-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enamide[/IUPAC][START_SMILES]Cc1ccc(-c2csc(C=CC(=O)NC(C)c3ccc(Cl)cc3)n2)c([N+](=O)[O-])c1[END_SMILES]\n", + "GT: 0.47000000000000003 Gen: 0.32 diff: 0.15 Cc1ccc(-c2csc(C=CC(=O)NC(C)c3ccc(Cl)cc3)n2)c([N+](=O)[O-])c1\n", + "[QED]0.48[/QED][RINGCOUNT]3[/RINGCOUNT][NUMROTATABLEBONDS]6[/NUMROTATABLEBONDS][NUMAROMATICRINGS]2[/NUMAROMATICRINGS][SAS]2.51[/SAS][START_SMILES]CC(C)c1ccc(C=NNC(=O)CN2C(=O)COc3ccccc32)cc1[END_SMILES]\n", + "GT: 0.48 Gen: 0.66 diff: 0.18 CC(C)c1ccc(C=NNC(=O)CN2C(=O)COc3ccccc32)cc1\n", + "[QED]0.49[/QED][RINGCOUNT]3[/RINGCOUNT][CLOGP]2.81[/CLOGP][NUMROTATABLEBONDS]6[/NUMROTATABLEBONDS][SAS]2.57[/SAS][NUMHDONORS]1[/NUMHDONORS][NUMAROMATICRINGS]3[/NUMAROMATICRINGS][NUMHACCEPTORS]6[/NUMHACCEPTORS][HEAVYATOMCOUNT]28[/HEAVYATOMCOUNT][NUMHETEROATOMS]8[/NUMHETEROATOMS][TPSA]93.06[/TPSA][NOCOUNT]7[/NOCOUNT][FRACTIONCSP3]0.25[/FRACTIONCSP3][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][NUMAROMATICCARBOCYCLES]2[/NUMAROMATICCARBOCYCLES][WEIGHT]398.12[/WEIGHT][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][NHOHCOUNT]1[/NHOHCOUNT][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][FORMULA]C20H22N2O5S[/FORMULA][IUPAC]N-(2,5-dimethoxyphenyl)-2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-oxo-N-phenylacetamide;hydrate[/IUPAC][START_SMILES]COc1ccc(OC)c(N(C(=O)C(=O)c2sc(C)nc2C)c2ccccc2)c1.O[END_SMILES]\n", + "GT: 0.49 Gen: 0.45 diff: 0.04 COc1ccc(OC)c(N(C(=O)C(=O)c2sc(C)nc2C)c2ccccc2)c1.O\n" + ] + }, + { + "ename": "KeyboardInterrupt", + "evalue": "", + "output_type": "error", + "traceback": [ + "\u001b[0;31m---------------------------------------------------------------------------\u001b[0m", + "\u001b[0;31mKeyboardInterrupt\u001b[0m Traceback (most recent call last)", + "Cell \u001b[0;32mIn[14], line 7\u001b[0m\n\u001b[1;32m 5\u001b[0m len_prompt \u001b[38;5;241m=\u001b[39m \u001b[38;5;28mlen\u001b[39m(prompt)\n\u001b[1;32m 6\u001b[0m prompt \u001b[38;5;241m=\u001b[39m cus_tokenizer(prompt, return_tensors\u001b[38;5;241m=\u001b[39m\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mpt\u001b[39m\u001b[38;5;124m\"\u001b[39m)\u001b[38;5;241m.\u001b[39mto(model\u001b[38;5;241m.\u001b[39mdevice)\n\u001b[0;32m----> 7\u001b[0m out \u001b[38;5;241m=\u001b[39m \u001b[43mmodel\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mgenerate\u001b[49m\u001b[43m(\u001b[49m\u001b[43mprompt\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43minput_ids\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mdo_sample\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[38;5;28;43;01mFalse\u001b[39;49;00m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43meos_token_id\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mcus_tokenizer\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mencode\u001b[49m\u001b[43m(\u001b[49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[38;5;124;43m[END_SMILES]\u001b[39;49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[43m)\u001b[49m\u001b[43m[\u001b[49m\u001b[38;5;241;43m0\u001b[39;49m\u001b[43m]\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43m\\\u001b[49m\n\u001b[1;32m 8\u001b[0m \u001b[43m \u001b[49m\u001b[43msuppress_tokens\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43m[\u001b[49m\u001b[38;5;241;43m2\u001b[39;49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m10\u001b[39;49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m44\u001b[39;49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m11\u001b[39;49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m45\u001b[39;49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m12\u001b[39;49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m46\u001b[39;49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m13\u001b[39;49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m47\u001b[39;49m\u001b[43m]\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mrepetition_penalty\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[38;5;241;43m1.004\u001b[39;49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mrenormalize_logits\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[38;5;28;43;01mTrue\u001b[39;49;00m\u001b[43m,\u001b[49m\u001b[43mmax_length\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[38;5;241;43m1000\u001b[39;49m\u001b[43m)\u001b[49m\n\u001b[1;32m 9\u001b[0m out \u001b[38;5;241m=\u001b[39m cus_tokenizer\u001b[38;5;241m.\u001b[39mbatch_decode(out)[\u001b[38;5;241m0\u001b[39m]\n\u001b[1;32m 10\u001b[0m \u001b[38;5;28;01mtry\u001b[39;00m:\n", + "File \u001b[0;32m~/miniforge3/envs/gemma_env_new/lib/python3.10/site-packages/torch/utils/_contextlib.py:115\u001b[0m, in \u001b[0;36mcontext_decorator..decorate_context\u001b[0;34m(*args, **kwargs)\u001b[0m\n\u001b[1;32m 112\u001b[0m \u001b[38;5;129m@functools\u001b[39m\u001b[38;5;241m.\u001b[39mwraps(func)\n\u001b[1;32m 113\u001b[0m \u001b[38;5;28;01mdef\u001b[39;00m \u001b[38;5;21mdecorate_context\u001b[39m(\u001b[38;5;241m*\u001b[39margs, \u001b[38;5;241m*\u001b[39m\u001b[38;5;241m*\u001b[39mkwargs):\n\u001b[1;32m 114\u001b[0m \u001b[38;5;28;01mwith\u001b[39;00m ctx_factory():\n\u001b[0;32m--> 115\u001b[0m \u001b[38;5;28;01mreturn\u001b[39;00m \u001b[43mfunc\u001b[49m\u001b[43m(\u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43margs\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43mkwargs\u001b[49m\u001b[43m)\u001b[49m\n", + "File \u001b[0;32m~/miniforge3/envs/gemma_env_new/lib/python3.10/site-packages/transformers/generation/utils.py:1527\u001b[0m, in \u001b[0;36mGenerationMixin.generate\u001b[0;34m(self, inputs, generation_config, logits_processor, stopping_criteria, prefix_allowed_tokens_fn, synced_gpus, assistant_model, streamer, negative_prompt_ids, negative_prompt_attention_mask, **kwargs)\u001b[0m\n\u001b[1;32m 1509\u001b[0m result \u001b[38;5;241m=\u001b[39m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39massisted_decoding(\n\u001b[1;32m 1510\u001b[0m input_ids,\n\u001b[1;32m 1511\u001b[0m candidate_generator\u001b[38;5;241m=\u001b[39mcandidate_generator,\n\u001b[0;32m (...)\u001b[0m\n\u001b[1;32m 1523\u001b[0m \u001b[38;5;241m*\u001b[39m\u001b[38;5;241m*\u001b[39mmodel_kwargs,\n\u001b[1;32m 1524\u001b[0m )\n\u001b[1;32m 1525\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m generation_mode \u001b[38;5;241m==\u001b[39m GenerationMode\u001b[38;5;241m.\u001b[39mGREEDY_SEARCH:\n\u001b[1;32m 1526\u001b[0m \u001b[38;5;66;03m# 11. run greedy search\u001b[39;00m\n\u001b[0;32m-> 1527\u001b[0m result \u001b[38;5;241m=\u001b[39m \u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43m_greedy_search\u001b[49m\u001b[43m(\u001b[49m\n\u001b[1;32m 1528\u001b[0m \u001b[43m \u001b[49m\u001b[43minput_ids\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 1529\u001b[0m \u001b[43m \u001b[49m\u001b[43mlogits_processor\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mprepared_logits_processor\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 1530\u001b[0m \u001b[43m \u001b[49m\u001b[43mstopping_criteria\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mprepared_stopping_criteria\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 1531\u001b[0m \u001b[43m \u001b[49m\u001b[43mpad_token_id\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mgeneration_config\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mpad_token_id\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 1532\u001b[0m \u001b[43m \u001b[49m\u001b[43meos_token_id\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mgeneration_config\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43meos_token_id\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 1533\u001b[0m \u001b[43m \u001b[49m\u001b[43moutput_scores\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mgeneration_config\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43moutput_scores\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 1534\u001b[0m \u001b[43m \u001b[49m\u001b[43moutput_logits\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mgeneration_config\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43moutput_logits\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 1535\u001b[0m \u001b[43m \u001b[49m\u001b[43mreturn_dict_in_generate\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mgeneration_config\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mreturn_dict_in_generate\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 1536\u001b[0m \u001b[43m \u001b[49m\u001b[43msynced_gpus\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43msynced_gpus\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 1537\u001b[0m \u001b[43m \u001b[49m\u001b[43mstreamer\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mstreamer\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 1538\u001b[0m \u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43mmodel_kwargs\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 1539\u001b[0m \u001b[43m \u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m 1541\u001b[0m \u001b[38;5;28;01melif\u001b[39;00m generation_mode \u001b[38;5;241m==\u001b[39m GenerationMode\u001b[38;5;241m.\u001b[39mCONTRASTIVE_SEARCH:\n\u001b[1;32m 1542\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m \u001b[38;5;129;01mnot\u001b[39;00m model_kwargs[\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124muse_cache\u001b[39m\u001b[38;5;124m\"\u001b[39m]:\n", + "File \u001b[0;32m~/miniforge3/envs/gemma_env_new/lib/python3.10/site-packages/transformers/generation/utils.py:2411\u001b[0m, in \u001b[0;36mGenerationMixin._greedy_search\u001b[0;34m(self, input_ids, logits_processor, stopping_criteria, max_length, pad_token_id, eos_token_id, output_attentions, output_hidden_states, output_scores, output_logits, return_dict_in_generate, synced_gpus, streamer, **model_kwargs)\u001b[0m\n\u001b[1;32m 2408\u001b[0m model_inputs \u001b[38;5;241m=\u001b[39m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mprepare_inputs_for_generation(input_ids, \u001b[38;5;241m*\u001b[39m\u001b[38;5;241m*\u001b[39mmodel_kwargs)\n\u001b[1;32m 2410\u001b[0m \u001b[38;5;66;03m# forward pass to get next token\u001b[39;00m\n\u001b[0;32m-> 2411\u001b[0m outputs \u001b[38;5;241m=\u001b[39m \u001b[38;5;28;43mself\u001b[39;49m\u001b[43m(\u001b[49m\n\u001b[1;32m 2412\u001b[0m \u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43mmodel_inputs\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 2413\u001b[0m \u001b[43m \u001b[49m\u001b[43mreturn_dict\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[38;5;28;43;01mTrue\u001b[39;49;00m\u001b[43m,\u001b[49m\n\u001b[1;32m 2414\u001b[0m \u001b[43m \u001b[49m\u001b[43moutput_attentions\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43moutput_attentions\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 2415\u001b[0m \u001b[43m \u001b[49m\u001b[43moutput_hidden_states\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43moutput_hidden_states\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 2416\u001b[0m \u001b[43m\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m 2418\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m synced_gpus \u001b[38;5;129;01mand\u001b[39;00m this_peer_finished:\n\u001b[1;32m 2419\u001b[0m \u001b[38;5;28;01mcontinue\u001b[39;00m \u001b[38;5;66;03m# don't waste resources running the code we don't need\u001b[39;00m\n", + "File \u001b[0;32m~/miniforge3/envs/gemma_env_new/lib/python3.10/site-packages/torch/nn/modules/module.py:1518\u001b[0m, in \u001b[0;36mModule._wrapped_call_impl\u001b[0;34m(self, *args, **kwargs)\u001b[0m\n\u001b[1;32m 1516\u001b[0m \u001b[38;5;28;01mreturn\u001b[39;00m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39m_compiled_call_impl(\u001b[38;5;241m*\u001b[39margs, \u001b[38;5;241m*\u001b[39m\u001b[38;5;241m*\u001b[39mkwargs) \u001b[38;5;66;03m# type: ignore[misc]\u001b[39;00m\n\u001b[1;32m 1517\u001b[0m \u001b[38;5;28;01melse\u001b[39;00m:\n\u001b[0;32m-> 1518\u001b[0m \u001b[38;5;28;01mreturn\u001b[39;00m \u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43m_call_impl\u001b[49m\u001b[43m(\u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43margs\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43mkwargs\u001b[49m\u001b[43m)\u001b[49m\n", + "File \u001b[0;32m~/miniforge3/envs/gemma_env_new/lib/python3.10/site-packages/torch/nn/modules/module.py:1527\u001b[0m, in \u001b[0;36mModule._call_impl\u001b[0;34m(self, *args, **kwargs)\u001b[0m\n\u001b[1;32m 1522\u001b[0m \u001b[38;5;66;03m# If we don't have any hooks, we want to skip the rest of the logic in\u001b[39;00m\n\u001b[1;32m 1523\u001b[0m \u001b[38;5;66;03m# this function, and just call forward.\u001b[39;00m\n\u001b[1;32m 1524\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m \u001b[38;5;129;01mnot\u001b[39;00m (\u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39m_backward_hooks \u001b[38;5;129;01mor\u001b[39;00m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39m_backward_pre_hooks \u001b[38;5;129;01mor\u001b[39;00m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39m_forward_hooks \u001b[38;5;129;01mor\u001b[39;00m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39m_forward_pre_hooks\n\u001b[1;32m 1525\u001b[0m \u001b[38;5;129;01mor\u001b[39;00m _global_backward_pre_hooks \u001b[38;5;129;01mor\u001b[39;00m _global_backward_hooks\n\u001b[1;32m 1526\u001b[0m \u001b[38;5;129;01mor\u001b[39;00m _global_forward_hooks \u001b[38;5;129;01mor\u001b[39;00m _global_forward_pre_hooks):\n\u001b[0;32m-> 1527\u001b[0m \u001b[38;5;28;01mreturn\u001b[39;00m \u001b[43mforward_call\u001b[49m\u001b[43m(\u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43margs\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43mkwargs\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m 1529\u001b[0m \u001b[38;5;28;01mtry\u001b[39;00m:\n\u001b[1;32m 1530\u001b[0m result \u001b[38;5;241m=\u001b[39m \u001b[38;5;28;01mNone\u001b[39;00m\n", + "File \u001b[0;32m~/miniforge3/envs/gemma_env_new/lib/python3.10/site-packages/transformers/models/gemma/modeling_gemma.py:1109\u001b[0m, in \u001b[0;36mGemmaForCausalLM.forward\u001b[0;34m(self, input_ids, attention_mask, position_ids, past_key_values, inputs_embeds, labels, use_cache, output_attentions, output_hidden_states, return_dict, cache_position)\u001b[0m\n\u001b[1;32m 1106\u001b[0m return_dict \u001b[38;5;241m=\u001b[39m return_dict \u001b[38;5;28;01mif\u001b[39;00m return_dict \u001b[38;5;129;01mis\u001b[39;00m \u001b[38;5;129;01mnot\u001b[39;00m \u001b[38;5;28;01mNone\u001b[39;00m \u001b[38;5;28;01melse\u001b[39;00m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mconfig\u001b[38;5;241m.\u001b[39muse_return_dict\n\u001b[1;32m 1108\u001b[0m \u001b[38;5;66;03m# decoder outputs consists of (dec_features, layer_state, dec_hidden, dec_attn)\u001b[39;00m\n\u001b[0;32m-> 1109\u001b[0m outputs \u001b[38;5;241m=\u001b[39m \u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mmodel\u001b[49m\u001b[43m(\u001b[49m\n\u001b[1;32m 1110\u001b[0m \u001b[43m \u001b[49m\u001b[43minput_ids\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43minput_ids\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 1111\u001b[0m \u001b[43m \u001b[49m\u001b[43mattention_mask\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mattention_mask\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 1112\u001b[0m \u001b[43m \u001b[49m\u001b[43mposition_ids\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mposition_ids\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 1113\u001b[0m \u001b[43m \u001b[49m\u001b[43mpast_key_values\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mpast_key_values\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 1114\u001b[0m \u001b[43m \u001b[49m\u001b[43minputs_embeds\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43minputs_embeds\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 1115\u001b[0m \u001b[43m \u001b[49m\u001b[43muse_cache\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43muse_cache\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 1116\u001b[0m \u001b[43m \u001b[49m\u001b[43moutput_attentions\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43moutput_attentions\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 1117\u001b[0m \u001b[43m \u001b[49m\u001b[43moutput_hidden_states\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43moutput_hidden_states\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 1118\u001b[0m \u001b[43m \u001b[49m\u001b[43mreturn_dict\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mreturn_dict\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 1119\u001b[0m \u001b[43m \u001b[49m\u001b[43mcache_position\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mcache_position\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 1120\u001b[0m \u001b[43m\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m 1122\u001b[0m hidden_states \u001b[38;5;241m=\u001b[39m outputs[\u001b[38;5;241m0\u001b[39m]\n\u001b[1;32m 1123\u001b[0m logits \u001b[38;5;241m=\u001b[39m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mlm_head(hidden_states)\n", + "File \u001b[0;32m~/miniforge3/envs/gemma_env_new/lib/python3.10/site-packages/torch/nn/modules/module.py:1518\u001b[0m, in \u001b[0;36mModule._wrapped_call_impl\u001b[0;34m(self, *args, **kwargs)\u001b[0m\n\u001b[1;32m 1516\u001b[0m \u001b[38;5;28;01mreturn\u001b[39;00m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39m_compiled_call_impl(\u001b[38;5;241m*\u001b[39margs, \u001b[38;5;241m*\u001b[39m\u001b[38;5;241m*\u001b[39mkwargs) \u001b[38;5;66;03m# type: ignore[misc]\u001b[39;00m\n\u001b[1;32m 1517\u001b[0m \u001b[38;5;28;01melse\u001b[39;00m:\n\u001b[0;32m-> 1518\u001b[0m \u001b[38;5;28;01mreturn\u001b[39;00m \u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43m_call_impl\u001b[49m\u001b[43m(\u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43margs\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43mkwargs\u001b[49m\u001b[43m)\u001b[49m\n", + "File \u001b[0;32m~/miniforge3/envs/gemma_env_new/lib/python3.10/site-packages/torch/nn/modules/module.py:1527\u001b[0m, in \u001b[0;36mModule._call_impl\u001b[0;34m(self, *args, **kwargs)\u001b[0m\n\u001b[1;32m 1522\u001b[0m \u001b[38;5;66;03m# If we don't have any hooks, we want to skip the rest of the logic in\u001b[39;00m\n\u001b[1;32m 1523\u001b[0m \u001b[38;5;66;03m# this function, and just call forward.\u001b[39;00m\n\u001b[1;32m 1524\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m \u001b[38;5;129;01mnot\u001b[39;00m (\u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39m_backward_hooks \u001b[38;5;129;01mor\u001b[39;00m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39m_backward_pre_hooks \u001b[38;5;129;01mor\u001b[39;00m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39m_forward_hooks \u001b[38;5;129;01mor\u001b[39;00m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39m_forward_pre_hooks\n\u001b[1;32m 1525\u001b[0m \u001b[38;5;129;01mor\u001b[39;00m _global_backward_pre_hooks \u001b[38;5;129;01mor\u001b[39;00m _global_backward_hooks\n\u001b[1;32m 1526\u001b[0m \u001b[38;5;129;01mor\u001b[39;00m _global_forward_hooks \u001b[38;5;129;01mor\u001b[39;00m _global_forward_pre_hooks):\n\u001b[0;32m-> 1527\u001b[0m \u001b[38;5;28;01mreturn\u001b[39;00m \u001b[43mforward_call\u001b[49m\u001b[43m(\u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43margs\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43mkwargs\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m 1529\u001b[0m \u001b[38;5;28;01mtry\u001b[39;00m:\n\u001b[1;32m 1530\u001b[0m result \u001b[38;5;241m=\u001b[39m \u001b[38;5;28;01mNone\u001b[39;00m\n", + "File \u001b[0;32m~/miniforge3/envs/gemma_env_new/lib/python3.10/site-packages/transformers/models/gemma/modeling_gemma.py:927\u001b[0m, in \u001b[0;36mGemmaModel.forward\u001b[0;34m(self, input_ids, attention_mask, position_ids, past_key_values, inputs_embeds, use_cache, output_attentions, output_hidden_states, return_dict, cache_position)\u001b[0m\n\u001b[1;32m 916\u001b[0m layer_outputs \u001b[38;5;241m=\u001b[39m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39m_gradient_checkpointing_func(\n\u001b[1;32m 917\u001b[0m decoder_layer\u001b[38;5;241m.\u001b[39m\u001b[38;5;21m__call__\u001b[39m,\n\u001b[1;32m 918\u001b[0m hidden_states,\n\u001b[0;32m (...)\u001b[0m\n\u001b[1;32m 924\u001b[0m cache_position,\n\u001b[1;32m 925\u001b[0m )\n\u001b[1;32m 926\u001b[0m \u001b[38;5;28;01melse\u001b[39;00m:\n\u001b[0;32m--> 927\u001b[0m layer_outputs \u001b[38;5;241m=\u001b[39m \u001b[43mdecoder_layer\u001b[49m\u001b[43m(\u001b[49m\n\u001b[1;32m 928\u001b[0m \u001b[43m \u001b[49m\u001b[43mhidden_states\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 929\u001b[0m \u001b[43m \u001b[49m\u001b[43mattention_mask\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mcausal_mask\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 930\u001b[0m \u001b[43m \u001b[49m\u001b[43mposition_ids\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mposition_ids\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 931\u001b[0m \u001b[43m \u001b[49m\u001b[43mpast_key_value\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mpast_key_values\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 932\u001b[0m \u001b[43m \u001b[49m\u001b[43moutput_attentions\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43moutput_attentions\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 933\u001b[0m \u001b[43m \u001b[49m\u001b[43muse_cache\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43muse_cache\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 934\u001b[0m \u001b[43m \u001b[49m\u001b[43mcache_position\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mcache_position\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 935\u001b[0m \u001b[43m \u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m 937\u001b[0m hidden_states \u001b[38;5;241m=\u001b[39m layer_outputs[\u001b[38;5;241m0\u001b[39m]\n\u001b[1;32m 939\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m use_cache:\n", + "File \u001b[0;32m~/miniforge3/envs/gemma_env_new/lib/python3.10/site-packages/torch/nn/modules/module.py:1518\u001b[0m, in \u001b[0;36mModule._wrapped_call_impl\u001b[0;34m(self, *args, **kwargs)\u001b[0m\n\u001b[1;32m 1516\u001b[0m \u001b[38;5;28;01mreturn\u001b[39;00m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39m_compiled_call_impl(\u001b[38;5;241m*\u001b[39margs, \u001b[38;5;241m*\u001b[39m\u001b[38;5;241m*\u001b[39mkwargs) \u001b[38;5;66;03m# type: ignore[misc]\u001b[39;00m\n\u001b[1;32m 1517\u001b[0m \u001b[38;5;28;01melse\u001b[39;00m:\n\u001b[0;32m-> 1518\u001b[0m \u001b[38;5;28;01mreturn\u001b[39;00m \u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43m_call_impl\u001b[49m\u001b[43m(\u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43margs\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43mkwargs\u001b[49m\u001b[43m)\u001b[49m\n", + "File \u001b[0;32m~/miniforge3/envs/gemma_env_new/lib/python3.10/site-packages/torch/nn/modules/module.py:1527\u001b[0m, in \u001b[0;36mModule._call_impl\u001b[0;34m(self, *args, **kwargs)\u001b[0m\n\u001b[1;32m 1522\u001b[0m \u001b[38;5;66;03m# If we don't have any hooks, we want to skip the rest of the logic in\u001b[39;00m\n\u001b[1;32m 1523\u001b[0m \u001b[38;5;66;03m# this function, and just call forward.\u001b[39;00m\n\u001b[1;32m 1524\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m \u001b[38;5;129;01mnot\u001b[39;00m (\u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39m_backward_hooks \u001b[38;5;129;01mor\u001b[39;00m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39m_backward_pre_hooks \u001b[38;5;129;01mor\u001b[39;00m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39m_forward_hooks \u001b[38;5;129;01mor\u001b[39;00m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39m_forward_pre_hooks\n\u001b[1;32m 1525\u001b[0m \u001b[38;5;129;01mor\u001b[39;00m _global_backward_pre_hooks \u001b[38;5;129;01mor\u001b[39;00m _global_backward_hooks\n\u001b[1;32m 1526\u001b[0m \u001b[38;5;129;01mor\u001b[39;00m _global_forward_hooks \u001b[38;5;129;01mor\u001b[39;00m _global_forward_pre_hooks):\n\u001b[0;32m-> 1527\u001b[0m \u001b[38;5;28;01mreturn\u001b[39;00m \u001b[43mforward_call\u001b[49m\u001b[43m(\u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43margs\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43mkwargs\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m 1529\u001b[0m \u001b[38;5;28;01mtry\u001b[39;00m:\n\u001b[1;32m 1530\u001b[0m result \u001b[38;5;241m=\u001b[39m \u001b[38;5;28;01mNone\u001b[39;00m\n", + "File \u001b[0;32m~/miniforge3/envs/gemma_env_new/lib/python3.10/site-packages/transformers/models/gemma/modeling_gemma.py:643\u001b[0m, in \u001b[0;36mGemmaDecoderLayer.forward\u001b[0;34m(self, hidden_states, attention_mask, position_ids, past_key_value, output_attentions, use_cache, cache_position, **kwargs)\u001b[0m\n\u001b[1;32m 640\u001b[0m hidden_states \u001b[38;5;241m=\u001b[39m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39minput_layernorm(hidden_states)\n\u001b[1;32m 642\u001b[0m \u001b[38;5;66;03m# Self Attention\u001b[39;00m\n\u001b[0;32m--> 643\u001b[0m hidden_states, self_attn_weights, present_key_value \u001b[38;5;241m=\u001b[39m \u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mself_attn\u001b[49m\u001b[43m(\u001b[49m\n\u001b[1;32m 644\u001b[0m \u001b[43m \u001b[49m\u001b[43mhidden_states\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mhidden_states\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 645\u001b[0m \u001b[43m \u001b[49m\u001b[43mattention_mask\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mattention_mask\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 646\u001b[0m \u001b[43m \u001b[49m\u001b[43mposition_ids\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mposition_ids\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 647\u001b[0m \u001b[43m \u001b[49m\u001b[43mpast_key_value\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mpast_key_value\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 648\u001b[0m \u001b[43m \u001b[49m\u001b[43moutput_attentions\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43moutput_attentions\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 649\u001b[0m \u001b[43m \u001b[49m\u001b[43muse_cache\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43muse_cache\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 650\u001b[0m \u001b[43m \u001b[49m\u001b[43mcache_position\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mcache_position\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 651\u001b[0m \u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43mkwargs\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 652\u001b[0m \u001b[43m\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m 653\u001b[0m hidden_states \u001b[38;5;241m=\u001b[39m residual \u001b[38;5;241m+\u001b[39m hidden_states\n\u001b[1;32m 655\u001b[0m \u001b[38;5;66;03m# Fully Connected\u001b[39;00m\n", + "File \u001b[0;32m~/miniforge3/envs/gemma_env_new/lib/python3.10/site-packages/torch/nn/modules/module.py:1518\u001b[0m, in \u001b[0;36mModule._wrapped_call_impl\u001b[0;34m(self, *args, **kwargs)\u001b[0m\n\u001b[1;32m 1516\u001b[0m \u001b[38;5;28;01mreturn\u001b[39;00m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39m_compiled_call_impl(\u001b[38;5;241m*\u001b[39margs, \u001b[38;5;241m*\u001b[39m\u001b[38;5;241m*\u001b[39mkwargs) \u001b[38;5;66;03m# type: ignore[misc]\u001b[39;00m\n\u001b[1;32m 1517\u001b[0m \u001b[38;5;28;01melse\u001b[39;00m:\n\u001b[0;32m-> 1518\u001b[0m \u001b[38;5;28;01mreturn\u001b[39;00m \u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43m_call_impl\u001b[49m\u001b[43m(\u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43margs\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43mkwargs\u001b[49m\u001b[43m)\u001b[49m\n", + "File \u001b[0;32m~/miniforge3/envs/gemma_env_new/lib/python3.10/site-packages/torch/nn/modules/module.py:1527\u001b[0m, in \u001b[0;36mModule._call_impl\u001b[0;34m(self, *args, **kwargs)\u001b[0m\n\u001b[1;32m 1522\u001b[0m \u001b[38;5;66;03m# If we don't have any hooks, we want to skip the rest of the logic in\u001b[39;00m\n\u001b[1;32m 1523\u001b[0m \u001b[38;5;66;03m# this function, and just call forward.\u001b[39;00m\n\u001b[1;32m 1524\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m \u001b[38;5;129;01mnot\u001b[39;00m (\u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39m_backward_hooks \u001b[38;5;129;01mor\u001b[39;00m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39m_backward_pre_hooks \u001b[38;5;129;01mor\u001b[39;00m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39m_forward_hooks \u001b[38;5;129;01mor\u001b[39;00m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39m_forward_pre_hooks\n\u001b[1;32m 1525\u001b[0m \u001b[38;5;129;01mor\u001b[39;00m _global_backward_pre_hooks \u001b[38;5;129;01mor\u001b[39;00m _global_backward_hooks\n\u001b[1;32m 1526\u001b[0m \u001b[38;5;129;01mor\u001b[39;00m _global_forward_hooks \u001b[38;5;129;01mor\u001b[39;00m _global_forward_pre_hooks):\n\u001b[0;32m-> 1527\u001b[0m \u001b[38;5;28;01mreturn\u001b[39;00m \u001b[43mforward_call\u001b[49m\u001b[43m(\u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43margs\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43mkwargs\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m 1529\u001b[0m \u001b[38;5;28;01mtry\u001b[39;00m:\n\u001b[1;32m 1530\u001b[0m result \u001b[38;5;241m=\u001b[39m \u001b[38;5;28;01mNone\u001b[39;00m\n", + "File \u001b[0;32m~/miniforge3/envs/gemma_env_new/lib/python3.10/site-packages/transformers/models/gemma/modeling_gemma.py:584\u001b[0m, in \u001b[0;36mGemmaSdpaAttention.forward\u001b[0;34m(self, hidden_states, attention_mask, position_ids, past_key_value, output_attentions, use_cache, cache_position)\u001b[0m\n\u001b[1;32m 581\u001b[0m attn_output \u001b[38;5;241m=\u001b[39m attn_output\u001b[38;5;241m.\u001b[39mtranspose(\u001b[38;5;241m1\u001b[39m, \u001b[38;5;241m2\u001b[39m)\u001b[38;5;241m.\u001b[39mcontiguous()\n\u001b[1;32m 582\u001b[0m attn_output \u001b[38;5;241m=\u001b[39m attn_output\u001b[38;5;241m.\u001b[39mview(bsz, q_len, \u001b[38;5;241m-\u001b[39m\u001b[38;5;241m1\u001b[39m)\n\u001b[0;32m--> 584\u001b[0m attn_output \u001b[38;5;241m=\u001b[39m \u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mo_proj\u001b[49m\u001b[43m(\u001b[49m\u001b[43mattn_output\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m 586\u001b[0m \u001b[38;5;28;01mreturn\u001b[39;00m attn_output, \u001b[38;5;28;01mNone\u001b[39;00m, past_key_value\n", + "File \u001b[0;32m~/miniforge3/envs/gemma_env_new/lib/python3.10/site-packages/torch/nn/modules/module.py:1518\u001b[0m, in \u001b[0;36mModule._wrapped_call_impl\u001b[0;34m(self, *args, **kwargs)\u001b[0m\n\u001b[1;32m 1516\u001b[0m \u001b[38;5;28;01mreturn\u001b[39;00m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39m_compiled_call_impl(\u001b[38;5;241m*\u001b[39margs, \u001b[38;5;241m*\u001b[39m\u001b[38;5;241m*\u001b[39mkwargs) \u001b[38;5;66;03m# type: ignore[misc]\u001b[39;00m\n\u001b[1;32m 1517\u001b[0m \u001b[38;5;28;01melse\u001b[39;00m:\n\u001b[0;32m-> 1518\u001b[0m \u001b[38;5;28;01mreturn\u001b[39;00m \u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43m_call_impl\u001b[49m\u001b[43m(\u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43margs\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43mkwargs\u001b[49m\u001b[43m)\u001b[49m\n", + "File \u001b[0;32m~/miniforge3/envs/gemma_env_new/lib/python3.10/site-packages/torch/nn/modules/module.py:1527\u001b[0m, in \u001b[0;36mModule._call_impl\u001b[0;34m(self, *args, **kwargs)\u001b[0m\n\u001b[1;32m 1522\u001b[0m \u001b[38;5;66;03m# If we don't have any hooks, we want to skip the rest of the logic in\u001b[39;00m\n\u001b[1;32m 1523\u001b[0m \u001b[38;5;66;03m# this function, and just call forward.\u001b[39;00m\n\u001b[1;32m 1524\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m \u001b[38;5;129;01mnot\u001b[39;00m (\u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39m_backward_hooks \u001b[38;5;129;01mor\u001b[39;00m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39m_backward_pre_hooks \u001b[38;5;129;01mor\u001b[39;00m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39m_forward_hooks \u001b[38;5;129;01mor\u001b[39;00m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39m_forward_pre_hooks\n\u001b[1;32m 1525\u001b[0m \u001b[38;5;129;01mor\u001b[39;00m _global_backward_pre_hooks \u001b[38;5;129;01mor\u001b[39;00m _global_backward_hooks\n\u001b[1;32m 1526\u001b[0m \u001b[38;5;129;01mor\u001b[39;00m _global_forward_hooks \u001b[38;5;129;01mor\u001b[39;00m _global_forward_pre_hooks):\n\u001b[0;32m-> 1527\u001b[0m \u001b[38;5;28;01mreturn\u001b[39;00m \u001b[43mforward_call\u001b[49m\u001b[43m(\u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43margs\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43mkwargs\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m 1529\u001b[0m \u001b[38;5;28;01mtry\u001b[39;00m:\n\u001b[1;32m 1530\u001b[0m result \u001b[38;5;241m=\u001b[39m \u001b[38;5;28;01mNone\u001b[39;00m\n", + "File \u001b[0;32m~/miniforge3/envs/gemma_env_new/lib/python3.10/site-packages/torch/nn/modules/linear.py:114\u001b[0m, in \u001b[0;36mLinear.forward\u001b[0;34m(self, input)\u001b[0m\n\u001b[1;32m 113\u001b[0m \u001b[38;5;28;01mdef\u001b[39;00m \u001b[38;5;21mforward\u001b[39m(\u001b[38;5;28mself\u001b[39m, \u001b[38;5;28minput\u001b[39m: Tensor) \u001b[38;5;241m-\u001b[39m\u001b[38;5;241m>\u001b[39m Tensor:\n\u001b[0;32m--> 114\u001b[0m \u001b[38;5;28;01mreturn\u001b[39;00m \u001b[43mF\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mlinear\u001b[49m\u001b[43m(\u001b[49m\u001b[38;5;28;43minput\u001b[39;49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mweight\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mbias\u001b[49m\u001b[43m)\u001b[49m\n", + "\u001b[0;31mKeyboardInterrupt\u001b[0m: " + ] + } + ], "source": [ "ground_truths, gens, diffs = [],[],[]\n", "invalids = 0\n", - "for i in np.arange(0,1, 0.01):\n", + "for i in np.arange(0,0.96, 0.01):\n", " prompt = f\"[QED]{i:.2f}[/QED]\"\n", " len_prompt = len(prompt)\n", " prompt = cus_tokenizer(prompt, return_tensors=\"pt\").to(model.device)\n", " out = model.generate(prompt.input_ids, do_sample=False, eos_token_id=cus_tokenizer.encode(\"[END_SMILES]\")[0], \\\n", - " suppress_tokens=[2, 10, 44, 11, 45, 12, 46, 13, 47],max_length=1000)\n", + " suppress_tokens=[2, 10, 44, 11, 45, 12, 46, 13, 47], repetition_penalty=1.004, renormalize_logits=True,max_length=1000)\n", " out = cus_tokenizer.batch_decode(out)[0]\n", " try:\n", " if out.find(\"[END_SMILES]\")!=-1:\n", @@ -276,43 +579,54 @@ }, { "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "[2, 10, 44, 11, 45, 12, 46, 13, 47]" - ] - }, - { - "cell_type": "code", - "execution_count": 23, + "execution_count": 11, "metadata": {}, "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "0.09502192729400233\n" + ] + }, + { + "name": "stderr", + "output_type": "stream", + "text": [ + "/auto/home/menuab/miniforge3/envs/gemma_env_new/lib/python3.10/site-packages/sklearn/metrics/_regression.py:483: FutureWarning: 'squared' is deprecated in version 1.4 and will be removed in 1.6. To calculate the root mean squared error, use the function'root_mean_squared_error'.\n", + " warnings.warn(\n" + ] + }, { "data": { + "image/png": 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", "text/plain": [ - "'[SAS]'" + "
" ] }, - "execution_count": 23, "metadata": {}, - "output_type": "execute_result" + "output_type": "display_data" } ], "source": [ - "cus_tokenizer.decode(14)" + "rmse = mean_squared_error(ground_truths, gens, squared=False)\n", + "print(rmse)\n", + "plt.scatter(ground_truths, gens)\n", + "plt.plot((0,1),(0,1))\n", + "plt.title(f\"qed {rmse=}\")\n", + "plt.grid(True)" ] }, { "cell_type": "code", - "execution_count": 13, + "execution_count": 5, "metadata": {}, "outputs": [ { "name": "stdout", "output_type": "stream", "text": [ - "0.09390168141836373\n" + "0.09201641851645685\n" ] }, { @@ -325,7 +639,7 @@ }, { "data": { - "image/png": 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", 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", "text/plain": [ "
" ] @@ -345,16 +659,16 @@ }, { "cell_type": "code", - "execution_count": 14, + "execution_count": 12, "metadata": {}, "outputs": [ { "data": { "text/plain": [ - "3" + "0" ] }, - "execution_count": 14, + "execution_count": 12, "metadata": {}, "output_type": "execute_result" } @@ -365,124 +679,122 @@ }, { "cell_type": "code", - "execution_count": 34, + "execution_count": 28, "metadata": {}, "outputs": [ { "name": "stdout", "output_type": "stream", "text": [ - "GT: 0.0 Gen: 0.39 diff: 0.39 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.00[/QED][CLOGP]1.66[/CLOGP][FORMULA]C10H11N3O2S[/FORMULA][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][FRACTIONCSP3]0.25[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][TPSA]75.01[/TPSA][IUPAC]N-(2-amino-2-oxoethyl)-5-methyl-1,3-thiazol-4-amine[/IUPAC][QED]0.68[/QED][NOCOUNT]5[/NOCOUNT][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][RINGCOUNT]3[/RINGCOUNT][FORMULA]C29H35FN4O4S[/FORMULA][SIMILAR]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.94[/SIMILAR][SIMILAR]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.94[/SIMILAR][SIMILAR]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)\n", - "GT: 0.01 Gen: 0.39 diff: 0.38 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.01[/QED][CLOGP]1.66[/CLOGP][FORMULA]C10H11N3O2S[/FORMULA][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][FRACTIONCSP3]0.25[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][TPSA]75.01[/TPSA][IUPAC]N-(2-amino-2-oxoethyl)-5-methyl-1,3-thiazol-4-amine[/IUPAC][QED]0.68[/QED][NOCOUNT]5[/NOCOUNT][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][RINGCOUNT]3[/RINGCOUNT][IUPAC]2-[[2-[N-(benzenesulfonyl)-4-fluoroanilino]acetyl]-[(2R)-butan-2-yl]amino]-N-[(2R)-butan-2-yl]propanamide[/IUPAC][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][SAS]3.07[/SAS][QED]0.38[/QED][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][CLOGP]4.77[/CLOGP][FORMULA]C30H37FN4O4S[/FORMULA][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.80[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=\n", - "GT: 0.02 [QED]0.02[/QED][CLOGP]1.66[/CLOGP][SYNONYM]SCHEMBL1306225[/SYNONYM][SYNONYM]ZINC10000000[/SYNONYM][SYNONYM]AKOS000270066[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z1110\n", - "GT: 0.03 [QED]0.03[/QED][CLOGP]1.99[/CLOGP][SYNONYM]SCHEMBL1306225[/SYNONYM][SYNONYM](2S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-ol[/SYNONYM][SYNONYM](2S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-ol[/SYNONYM][SYNONYM](2S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-ol[/SYNONYM][SYNONYM](2S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-ol[/SYNONYM][SYNONYM](2S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-ol[/SYNONYM][SYNONYM](2S)-2-[(2-methyl-1,3-thiazol\n", - "GT: 0.04 [QED]0.04[/QED][SIMILAR]CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC\n", - "GT: 0.05 Gen: 0.39 diff: 0.34 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.05[/QED][CLOGP]1.99[/CLOGP][FORMULA]C10H11N3O2S[/FORMULA][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][FRACTIONCSP3]0.22[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][TPSA]75.01[/TPSA][IUPAC]N-(2-amino-2-oxoethyl)-5-methyl-1,3-thiazol-4-amine[/IUPAC][QED]0.68[/QED][NOCOUNT]5[/NOCOUNT][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][RINGCOUNT]3[/RINGCOUNT][FORMULA]C29H35FN4O4S[/FORMULA][SIMILAR]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.95[/SIMILAR][SIMILAR]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.95[/SIMILAR][SIMILAR]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)\n", - "GT: 0.06 Gen: 0.39 diff: 0.33 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.06[/QED][CLOGP]1.59[/CLOGP][FORMULA]C10H11N3O2S[/FORMULA][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][FRACTIONCSP3]0.25[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][TPSA]75.01[/TPSA][IUPAC]N-(2-amino-2-oxoethyl)-5-methyl-1,3-thiazol-4-amine[/IUPAC][QED]0.68[/QED][NOCOUNT]5[/NOCOUNT][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][RINGCOUNT]3[/RINGCOUNT][IUPAC]2-[[2-[N-(benzenesulfonyl)-4-fluoroanilino]acetyl]-[(2R)-butan-2-yl]amino]-N-[(2R)-butan-2-yl]propanamide[/IUPAC][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][SAS]3.08[/SAS][QED]0.38[/QED][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][CLOGP]4.77[/CLOGP][FORMULA]C30H37FN4O4S[/FORMULA][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.78[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=\n", - "GT: 0.07 Gen: 0.39 diff: 0.32 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.07[/QED][CLOGP]1.99[/CLOGP][FORMULA]C10H11N3O2S[/FORMULA][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][FRACTIONCSP3]0.22[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][TPSA]75.01[/TPSA][IUPAC]N-(2-amino-2-oxoethyl)-5-methyl-1,3-thiazol-4-amine[/IUPAC][QED]0.68[/QED][NOCOUNT]5[/NOCOUNT][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][RINGCOUNT]3[/RINGCOUNT][FORMULA]C29H35FN4O4S[/FORMULA][SIMILAR]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.95[/SIMILAR][SIMILAR]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.95[/SIMILAR][SIMILAR]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)\n", - "GT: 0.08 Gen: 0.79 diff: 0.71 CC(C)c1ccc(C(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)cc1 [QED]0.08[/QED][CLOGP]1.99[/CLOGP][FORMULA]C10H12N2O2S[/FORMULA][IUPAC]2-amino-N-(2-methyl-1,3-thiazol-5-yl)acetamide[/IUPAC][QED]0.70[/QED][QED]0.67[/QED][RINGCOUNT]1[/RINGCOUNT][HEAVYATOMCOUNT]15[/HEAVYATOMCOUNT][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][START_SMILES]CC(C)c1ccc(C(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)cc1[END_SMILES][SIMILAR]CC(C)c1ccc(C(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)cc1 0.84[/SIMILAR][SIMILAR]CC(C)c1ccc(C(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)cc1 0.84[/SIMILAR][SIMILAR]CC(C)c1ccc(C(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)cc1 0.84[/SIMILAR][SIMILAR]CC(C)c1ccc(C(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)cc1 0.84[/SIMILAR][SIMILAR]CC(C)c1ccc(C(=O)N2CCC(C(=\n", - "GT: 0.09 Gen: 0.39 diff: 0.3 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.09[/QED][CLOGP]1.99[/CLOGP][FORMULA]C10H11N3O2S[/FORMULA][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][FRACTIONCSP3]0.25[/FRACTIONCSP3][TPSA]68.01[/TPSA][IUPAC]N-(2-amino-2-oxoethyl)-5-methyl-1,3-thiazol-4-amine[/IUPAC][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][QED]0.75[/QED][TPSA]75.15[/TPSA][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][HEAVYATOMCOUNT]38[/HEAVYATOMCOUNT][FORMULA]C29H35FN4O4S[/FORMULA][SIMILAR]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.94[/SIMILAR][SIMILAR]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.94[/SIMILAR][SIMILAR]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c\n", - "GT: 0.1 Gen: 0.39 diff: 0.29 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.10[/QED][FORMULA]C10H11N3O2S[/FORMULA][CLOGP]1.22[/CLOGP][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][FRACTIONCSP3]0.25[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][TPSA]68.01[/TPSA][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][FRACTIONCSP3]0.35[/FRACTIONCSP3][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.78[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.88[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.88[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O\n", - "GT: 0.11 Gen: 0.39 diff: 0.28 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.11[/QED][FORMULA]C11H12N2O2S[/FORMULA][CLOGP]1.90[/CLOGP][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][FRACTIONCSP3]0.17[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][SYNONYM]SCHEMBL1306225[/SYNONYM][SYNONYM]ZINC10000000[/SYNONYM][SYNONYM]AKOS000120080[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][NOCOUNT]4[/NOCOUNT][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][QED]0.79[/QED][IUPAC](2R)-2-amino-2-(2-methyl-1,3-thiazol-4-yl)acetic acid[/IUPAC][TPSA]75.25[/TPSA][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][CLOGP]4.77[/CLOGP][HEAVYATOMCOUNT]39[/HEAVYATOMCOUNT][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O\n", - "GT: 0.12 [QED]0.12[/QED][SIMILAR]CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC\n", - "GT: 0.13 [QED]0.13[/QED][SIMILAR]CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC\n", - "GT: 0.14 [QED]0.14[/QED][SIMILAR]CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC\n", - "GT: 0.15 [QED]0.15[/QED][FORMULA]C12H14N2O2S[/FORMULA][CLOGP]2.00[/CLOGP][HEAVYATOMCOUNT]17[/HEAVYATOMCOUNT][FRACTIONCSP3]0.27[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][SYNONYM]AKOS011500220[/SYNONYM][SYNONYM]Z119000000[/SYNONYM][SYNONYM]Z119000000[/SYNONYM][SYNONYM]Z119000000[/SYNONYM][SYNONYM]Z119000000[/SYNONYM][SYNONYM]Z119000000[/SYNONYM][SYNONYM]Z119000000[/SYNONYM][SYNONYM]Z119000000[/SYNONYM][SYNONYM]Z119000000[/SYNONYM][SYNONYM]Z119000000[/SYNONYM][SYNONYM]Z119000000[/SYNONYM][SYNONYM]Z119000000[/SYNONYM][SYNONYM]Z119000000[/SYNONYM][SYNONYM]Z119000000[/SYNONYM][SYNONYM]Z119000000[/SYNONYM][SYNONYM]ZINC10000000[/SYNONYM][SYNONYM]AKOS000120000[/SYNONYM][SYNONYM]Z119000000[/SYNONYM][SYNONYM]Z119000000[/SYNONYM][SYNONYM]Z119000000[/SYNONYM][SYNONYM]Z119000000[/SYNONYM][SYNONYM]Z119\n", - "GT: 0.16 [QED]0.16[/QED][CLOGP]1.99[/CLOGP][FORMULA]C10H12N2O2S[/FORMULA][IUPAC]2-amino-N-(2-methyl-1,3-thiazol-5-yl)acetamide[/IUPAC][QED]0.75[/QED][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][HEAVYATOMCOUNT]15[/HEAVYATOMCOUNT][NOCOUNT]4[/NOCOUNT][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][START_SMILES]CC(C)c1ccc(C(C)C)c(C(C)C)c1.CC(C)c1ccc(C(C)C)c(C(C)C)c1.CC(C)c1ccc(C(C)C)c(C(C)C)c1.CC(C)c1ccc(C(C)C)c(C(C)C)c1.CC(C)c1ccc(C(C)C)c(C(C)C)c1.CC(C)c1ccc(C(C)C)c(C(C)C)c1.CC(C)c1ccc(C(C)C)c(C(C)C)c1.CC(C)c1ccc(C(C)C)c(C(C)C)c1.CC(C)c1ccc(C(C)C)c(C(C)C)c\n", - "GT: 0.17 Gen: 0.39 diff: 0.22 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.17[/QED][FORMULA]C12H14N2O2S[/FORMULA][CLOGP]2.00[/CLOGP][HEAVYATOMCOUNT]17[/HEAVYATOMCOUNT][FRACTIONCSP3]0.27[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][SYNONYM]AKOS011500620[/SYNONYM][SYNONYM]Z119000000[/SYNONYM][SYNONYM]Z119000000[/SYNONYM][SYNONYM]Z119000000[/SYNONYM][SYNONYM]Z119000000[/SYNONYM][SYNONYM]Z119000000[/SYNONYM][SYNONYM]Z119000000[/SYNONYM][SYNONYM]Z119000000[/SYNONYM][TPSA]55.12[/TPSA][QED]0.80[/QED][RINGCOUNT]1[/RINGCOUNT][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][HEAVYATOMCOUNT]38[/HEAVYATOMCOUNT][FORMULA]C29H35FN4O4S[/FORMULA][SIMILAR]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.95[/SIMILAR][SIMILAR]CC(C)C(C)NC(=O)C(C)N(Cc1\n", - "GT: 0.18 Gen: 0.39 diff: 0.21 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.18[/QED][CLOGP]1.99[/CLOGP][FORMULA]C10H12N2O2S[/FORMULA][HEAVYATOMCOUNT]15[/HEAVYATOMCOUNT][FRACTIONCSP3]0.33[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][SYNONYM]SCHEMBL1306225[/SYNONYM][SYNONYM]ZINC10000000[/SYNONYM][SYNONYM]AKOS000120080[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][NOCOUNT]4[/NOCOUNT][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][NUMHDONORS]1[/NUMHDONORS][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][FRACTIONCSP3]0.35[/FRACTIONCSP3][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.78[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.88[/SIMILAR][SIMILAR]CC(C)NC\n", - "GT: 0.19 Gen: 0.39 diff: 0.2 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.19[/QED][FORMULA]C12H14N2O2S[/FORMULA][CLOGP]2.00[/CLOGP][HEAVYATOMCOUNT]17[/HEAVYATOMCOUNT][FRACTIONCSP3]0.27[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][SYNONYM]AKOS011500620[/SYNONYM][SYNONYM]Z119000000[/SYNONYM][SYNONYM]Z119000000[/SYNONYM][SYNONYM]Z119000000[/SYNONYM][SYNONYM]Z119000000[/SYNONYM][SYNONYM]Z119000000[/SYNONYM][SYNONYM]Z119000000[/SYNONYM][SYNONYM]Z119000000[/SYNONYM][TPSA]55.12[/TPSA][QED]0.80[/QED][RINGCOUNT]1[/RINGCOUNT][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][HEAVYATOMCOUNT]38[/HEAVYATOMCOUNT][FORMULA]C29H35FN4O4S[/FORMULA][SIMILAR]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.95[/SIMILAR][SIMILAR]CC(C)C(C)NC(=O)C(C)N(Cc1\n", - "GT: 0.2 [QED]0.20[/QED][SIMILAR]CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC\n", - "GT: 0.21 [QED]0.21[/QED][SIMILAR]CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC\n", - "GT: 0.22 [QED]0.22[/QED][SIMILAR]CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC\n", - "GT: 0.23 [QED]0.23[/QED][SIMILAR]CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC\n", - "GT: 0.24 [QED]0.24[/QED][SIMILAR]CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC\n", - "GT: 0.25 [QED]0.25[/QED][SIMILAR]CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC\n", - "GT: 0.26 [QED]0.26[/QED][SIMILAR]CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC\n", - "GT: 0.27 [QED]0.27[/QED][SIMILAR]CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC\n", - "GT: 0.28 [QED]0.28[/QED][SIMILAR]CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC\n", - "GT: 0.29 [QED]0.29[/QED][SIMILAR]CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC\n", - "GT: 0.3 Gen: 0.39 diff: 0.09 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.30[/QED][FORMULA]C10H12N2O2S[/FORMULA][CLOGP]1.50[/CLOGP][HEAVYATOMCOUNT]15[/HEAVYATOMCOUNT][FRACTIONCSP3]0.33[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][SYNONYM]SCHEMBL1000225[/SYNONYM][SYNONYM]ZINC10000250[/SYNONYM][SYNONYM]AKOS000120080[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][NOCOUNT]4[/NOCOUNT][HEAVYATOMCOUNT]15[/HEAVYATOMCOUNT][QED]0.79[/QED][SAS]2.69[/SAS][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][CLOGP]4.76[/CLOGP][WEIGHT]555.25[/WEIGHT][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.78[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(\n", - "GT: 0.31 [QED]0.31[/QED][FORMULA]C12H14N2O2S[/FORMULA][CLOGP]2.00[/CLOGP][HEAVYATOMCOUNT]17[/HEAVYATOMCOUNT][FRACTIONCSP3]0.27[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][SYNONYM]AKOS011500660[/SYNONYM][SYNONYM]ZINC10000225[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]ZINC10000000[/SYNONYM][SYNONYM]ZINC10000000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]AKOS017000062[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000\n", - "GT: 0.32 [QED]0.32[/QED][SIMILAR]CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC\n", - "GT: 0.33 [QED]0.33[/QED][SIMILAR]CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC\n", - "GT: 0.34 [QED]0.34[/QED][SIMILAR]CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC\n", - "GT: 0.35000000000000003 [QED]0.35[/QED][SIMILAR]CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC\n", - "GT: 0.36 [QED]0.36[/QED][SIMILAR]CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC\n", - "GT: 0.37 [QED]0.37[/QED][SIMILAR]CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC\n", - "GT: 0.38 [QED]0.38[/QED][SIMILAR]CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC\n", - "GT: 0.39 [QED]0.39[/QED][SIMILAR]CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC\n", - "GT: 0.4 [QED]0.40[/QED][SIMILAR]CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC\n", - "GT: 0.41000000000000003 [QED]0.41[/QED][SIMILAR]CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC\n", - "GT: 0.42 [QED]0.42[/QED][SIMILAR]CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC\n", - "GT: 0.43 [QED]0.43[/QED][SIMILAR]CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC\n", - "GT: 0.44 [QED]0.44[/QED][SIMILAR]CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC\n", - "GT: 0.45 [QED]0.45[/QED][SIMILAR]CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC\n", - "GT: 0.46 [QED]0.46[/QED][SIMILAR]CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC\n", - "GT: 0.47000000000000003 [QED]0.47[/QED][SIMILAR]CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC\n", - "GT: 0.48 [QED]0.48[/QED][SIMILAR]CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC\n", - "GT: 0.49 [QED]0.49[/QED][SIMILAR]CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC\n", - "GT: 0.5 Gen: 0.39 diff: 0.11 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.50[/QED][FORMULA]C10H11N3O2S[/FORMULA][CLOGP]1.00[/CLOGP][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][FRACTIONCSP3]0.22[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NOCOUNT]5[/NOCOUNT][SYNONYM]AKOS012577786[/SYNONYM][SYNONYM]ZINC100102280[/SYNONYM][SYNONYM]Z1100000000[/SYNONYM][SYNONYM]Z1100000000[/SYNONYM][SYNONYM]Z1100000000[/SYNONYM][NOCOUNT]5[/NOCOUNT][QED]0.80[/QED][IUPAC]N-(2-amino-2-oxoethyl)-5-methyl-1,3-thiazol-4-amine[/IUPAC][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NOCOUNT]5[/NOCOUNT][QED]0.60[/QED][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][CLOGP]4.76[/CLOGP][HEAVYATOMCOUNT]39[/HEAVYATOMCOUNT][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][FORMULA]C29H35FN4O4S[/FORMULA][SIMILAR]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.95[/SIMILAR][SIMILAR]CC(C)C(C)\n", - "GT: 0.51 Gen: 0.39 diff: 0.12 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.51[/QED][FORMULA]C10H11N3O2S[/FORMULA][CLOGP]1.00[/CLOGP][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][FRACTIONCSP3]0.25[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMHETEROATOMS]6[/NUMHETEROATOMS][IUPAC]2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid[/IUPAC][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NOCOUNT]5[/NOCOUNT][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NOCOUNT]5[/NOCOUNT][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][FRACTIONCSP3]0.35[/FRACTIONCSP3][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.78[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.88[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0\n", - "GT: 0.52 [QED]0.52[/QED][SIMILAR]CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC\n", - "GT: 0.53 Gen: 0.39 diff: 0.14 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.53[/QED][FORMULA]C10H11N3O2S[/FORMULA][CLOGP]1.00[/CLOGP][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][FRACTIONCSP3]0.22[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NOCOUNT]5[/NOCOUNT][SYNONYM]AKOS012579266[/SYNONYM][SYNONYM]ZINC100002280[/SYNONYM][SYNONYM]Z1100000880[/SYNONYM][SYNONYM]Z1110000880[/SYNONYM][SYNONYM]Z1110000880[/SYNONYM][SYNONYM]Z1110000880[/SYNONYM][TPSA]67.01[/TPSA][QED]0.79[/QED][HEAVYATOMCOUNT]17[/HEAVYATOMCOUNT][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][RINGCOUNT]3[/RINGCOUNT][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.78[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.88[/SIMILAR][SIMILAR]CC\n", - "GT: 0.54 [QED]0.54[/QED][SIMILAR]CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC\n", - "GT: 0.55 [QED]0.55[/QED][FORMULA]C10H11N3O2S[/FORMULA][CLOGP]1.00[/CLOGP][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][FRACTIONCSP3]0.22[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NOCOUNT]5[/NOCOUNT][SYNONYM]AKOS012572266[/SYNONYM][SYNONYM]ZINC100002266[/SYNONYM][SYNONYM]Z1100000066[/SYNONYM][SYNONYM]Z1110000066[/SYNONYM][SYNONYM]Z1110000066[/SYNONYM][SYNONYM]Z1110000066[/SYNONYM][SYNONYM]Z1110000066[/SYNONYM][SYNONYM]Z1110000066[/SYNONYM][SYNONYM]AKOS012100066[/SYNONYM][SYNONYM]Z1110000066[/SYNONYM][SYNONYM]Z1110000066[/SYNONYM][SYNONYM]Z1110000066[/SYNONYM][SYNONYM]Z1110000066[/SYNONYM][SYNONYM]Z1110000066[/SYNONYM][SYNONYM]Z1110000066[/SYNONYM][SYNONYM]Z1110000066[/SYNONYM][SYNONYM]Z1110000066[/SYNONYM][SYNONYM]Z1110000066[/SYNONYM][SYNONYM]ZINC10000000[/SYNONYM][SYNONYM]AKOS0051000\n", - "GT: 0.56 Gen: 0.39 diff: 0.17 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.56[/QED][FORMULA]C10H11N3O2S[/FORMULA][CLOGP]1.00[/CLOGP][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][FRACTIONCSP3]0.22[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NOCOUNT]5[/NOCOUNT][SYNONYM]AKOS012577280[/SYNONYM][SYNONYM]ZINC100110000[/SYNONYM][SYNONYM]Z1100000000[/SYNONYM][SYNONYM]Z1100000000[/SYNONYM][SYNONYM]Z1100000000[/SYNONYM][SYNONYM]Z1110000000[/SYNONYM][TPSA]67.01[/TPSA][QED]0.79[/QED][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][RINGCOUNT]3[/RINGCOUNT][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.78[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.88[/SIMILAR][SIMILAR]CC\n", - "GT: 0.5700000000000001 Gen: 0.39 diff: 0.18 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.57[/QED][FORMULA]C10H11N3O2S[/FORMULA][CLOGP]1.00[/CLOGP][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][FRACTIONCSP3]0.22[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NOCOUNT]5[/NOCOUNT][SYNONYM]AKOS012577084[/SYNONYM][SYNONYM]ZINC100100000[/SYNONYM][SYNONYM]Z1190000000[/SYNONYM][SYNONYM]Z1190000000[/SYNONYM][SYNONYM]Z1190000000[/SYNONYM][NOCOUNT]4[/NOCOUNT][QED]0.79[/QED][IUPAC]N-(2-amino-2-oxoethyl)-5-methyl-1,3-thiazol-4-amine[/IUPAC][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NOCOUNT]5[/NOCOUNT][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][CLOGP]4.76[/CLOGP][HEAVYATOMCOUNT]39[/HEAVYATOMCOUNT][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][FORMULA]C29H35FN4O4S[/FORMULA][SIMILAR]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.95[/SIMILAR][SIMILAR]CC(C)C(C)NC(=O\n", - "GT: 0.58 Gen: 0.39 diff: 0.19 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.58[/QED][FORMULA]C10H11N3O2S[/FORMULA][CLOGP]1.00[/CLOGP][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][FRACTIONCSP3]0.22[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NOCOUNT]5[/NOCOUNT][SYNONYM]AKOS012579266[/SYNONYM][SYNONYM]ZINC100100000[/SYNONYM][SYNONYM]Z1100000000[/SYNONYM][SYNONYM]Z1100000000[/SYNONYM][SYNONYM]Z1100000000[/SYNONYM][SYNONYM]Z1110000000[/SYNONYM][TPSA]67.01[/TPSA][QED]0.79[/QED][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][RINGCOUNT]3[/RINGCOUNT][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.78[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.88[/SIMILAR][SIMILAR]CC\n", - "GT: 0.59 Gen: 0.39 diff: 0.2 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.59[/QED][FORMULA]C10H11N3O2S[/FORMULA][CLOGP]1.00[/CLOGP][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][FRACTIONCSP3]0.25[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][TPSA]67.01[/TPSA][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][HEAVYATOMCOUNT]39[/HEAVYATOMCOUNT][FRACTIONCSP3]0.35[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][FORMULA]C29H35FN4O4S[/FORMULA][SIMILAR]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.94[/SIMILAR][SIMILAR]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.94[/SIMILAR][SIMILAR]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.94[/SIMILAR][SIMILAR]CC(C)C\n", - "GT: 0.6 Gen: 0.39 diff: 0.21 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.60[/QED][FORMULA]C10H11N3O2S[/FORMULA][CLOGP]1.22[/CLOGP][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][FRACTIONCSP3]0.22[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NOCOUNT]5[/NOCOUNT][SYNONYM]SCHEMBL13062220[/SYNONYM][SYNONYM]ZINC100000000[/SYNONYM][SYNONYM]AKOS005100080[/SYNONYM][SYNONYM]Z1110000000[/SYNONYM][SYNONYM]Z1110000000[/SYNONYM][SYNONYM]Z1110000000[/SYNONYM][TPSA]67.01[/TPSA][QED]0.79[/QED][HEAVYATOMCOUNT]18[/HEAVYATOMCOUNT][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][RINGCOUNT]3[/RINGCOUNT][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.78[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.88[/SIMILAR][SIMILAR]CC\n", - "GT: 0.61 Gen: 0.39 diff: 0.22 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.61[/QED][FORMULA]C10H11N3O2S[/FORMULA][CLOGP]1.00[/CLOGP][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][FRACTIONCSP3]0.25[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][TPSA]67.01[/TPSA][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][FRACTIONCSP3]0.35[/FRACTIONCSP3][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.78[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.88[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.88[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O\n", - "GT: 0.62 [QED]0.62[/QED][SIMILAR]CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC\n", - "GT: 0.63 Gen: 0.39 diff: 0.24 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.63[/QED][FORMULA]C10H11N3O2S[/FORMULA][CLOGP]1.00[/CLOGP][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][FRACTIONCSP3]0.22[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NOCOUNT]5[/NOCOUNT][SYNONYM]AKOS012579166[/SYNONYM][SYNONYM]ZINC12190226[/SYNONYM][SYNONYM]Z111900000[/SYNONYM][SYNONYM]Z111900000[/SYNONYM][SYNONYM]Z111900000[/SYNONYM][NOCOUNT]5[/NOCOUNT][FRACTIONCSP3]0.22[/FRACTIONCSP3][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][QED]0.38[/QED][IUPAC]2-[[2-[N-(benzenesulfonyl)-4-fluoroanilino]acetyl]-[(2R)-butan-2-yl]amino]-N-[(2R)-butan-2-yl]propanamide[/IUPAC][NUMHACCEPTORS]\n", - "GT: 0.64 [QED]0.64[/QED][SIMILAR]CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC\n", - "GT: 0.65 Gen: 0.39 diff: 0.26 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.65[/QED][FORMULA]C10H11N3O2S[/FORMULA][CLOGP]1.00[/CLOGP][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][FRACTIONCSP3]0.25[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMHETEROATOMS]6[/NUMHETEROATOMS][QED]0.80[/QED][IUPAC]2-[(2-amino-1,3-thiazol-4-yl)amino]-2-oxoacetic acid[/IUPAC][NOCOUNT]6[/NOCOUNT][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NOCOUNT]6[/NOCOUNT][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NOCOUNT]6[/NOCOUNT][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][CLOGP]4.77[/CLOGP][HEAVYATOMCOUNT]39[/HEAVYATOMCOUNT][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][FORMULA]C29H35FN4O4S[/FORMULA][SIMILAR]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.95[/SIMILAR][SIMILAR]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.95[/SIMILAR][SIMILAR]CC(C)C(C)NC(=O)C(C)N\n", - "GT: 0.66 Gen: 0.39 diff: 0.27 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.66[/QED][CLOGP]1.99[/CLOGP][FORMULA]C10H12N2O2S[/FORMULA][HEAVYATOMCOUNT]15[/HEAVYATOMCOUNT][FRACTIONCSP3]0.33[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][SYNONYM]SCHEMBL1306225[/SYNONYM][SYNONYM]ZINC10000000[/SYNONYM][SYNONYM]AKOS000120080[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][NUMHETEROATOMS]5[/NUMHETEROATOMS][QED]0.79[/QED][RINGCOUNT]1[/RINGCOUNT][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][CLOGP]4.76[/CLOGP][HEAVYATOMCOUNT]39[/HEAVYATOMCOUNT][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMHETEROATOMS]9[/NUMHETEROATOMS][FORMULA]C29H35FN4O4S[/FORMULA][SIMILAR]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.88[/SIMILAR][SIMILAR]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN\n", - "GT: 0.67 Gen: 0.39 diff: 0.28 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.67[/QED][FORMULA]C10H11N3O2S[/FORMULA][CLOGP]1.00[/CLOGP][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][FRACTIONCSP3]0.22[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NOCOUNT]5[/NOCOUNT][SYNONYM]AKOS012577266[/SYNONYM][SYNONYM]ZINC100000000[/SYNONYM][SYNONYM]Z1190000000[/SYNONYM][SYNONYM]Z1190000000[/SYNONYM][SYNONYM]Z1190000000[/SYNONYM][SYNONYM]Z1190000000[/SYNONYM][TPSA]67.01[/TPSA][QED]0.79[/QED][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][RINGCOUNT]3[/RINGCOUNT][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.78[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.88[/SIMILAR][SIMILAR]CC\n", - "GT: 0.68 Gen: 0.39 diff: 0.29 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.68[/QED][FORMULA]C10H11N3O2S[/FORMULA][CLOGP]1.00[/CLOGP][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][FRACTIONCSP3]0.22[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NOCOUNT]5[/NOCOUNT][SYNONYM]AKOS012572266[/SYNONYM][SYNONYM]ZINC100000000[/SYNONYM][SYNONYM]Z1190000000[/SYNONYM][SYNONYM]Z1190000000[/SYNONYM][SYNONYM]Z1190000000[/SYNONYM][SYNONYM]Z1190000000[/SYNONYM][TPSA]67.01[/TPSA][QED]0.79[/QED][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][RINGCOUNT]3[/RINGCOUNT][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.78[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.88[/SIMILAR][SIMILAR]CC\n", - "GT: 0.6900000000000001 Gen: 0.39 diff: 0.3 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.69[/QED][FORMULA]C10H11N3O2S[/FORMULA][CLOGP]1.00[/CLOGP][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][FRACTIONCSP3]0.25[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMHETEROATOMS]6[/NUMHETEROATOMS][IUPAC]2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid[/IUPAC][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NOCOUNT]5[/NOCOUNT][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NOCOUNT]5[/NOCOUNT][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][FRACTIONCSP3]0.35[/FRACTIONCSP3][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.78[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.88[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0\n", - "GT: 0.7000000000000001 Gen: 0.39 diff: 0.31 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.70[/QED][FORMULA]C10H11N3O2S[/FORMULA][CLOGP]1.00[/CLOGP][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][FRACTIONCSP3]0.25[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][TPSA]67.01[/TPSA][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][FRACTIONCSP3]0.35[/FRACTIONCSP3][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.78[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.88[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.88[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O\n", - "GT: 0.71 Gen: 0.39 diff: 0.32 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.71[/QED][FORMULA]C10H11N3O2S[/FORMULA][CLOGP]1.00[/CLOGP][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][FRACTIONCSP3]0.25[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][TPSA]67.01[/TPSA][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][FRACTIONCSP3]0.35[/FRACTIONCSP3][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.78[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.88[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.88[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O\n", - "GT: 0.72 Gen: 0.39 diff: 0.33 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.72[/QED][FORMULA]C10H11N3O2S[/FORMULA][CLOGP]1.22[/CLOGP][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][FRACTIONCSP3]0.22[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NOCOUNT]5[/NOCOUNT][HEAVYATOMCOUNT]22[/HEAVYATOMCOUNT][SYNONYM]AKOS017072122[/SYNONYM][SYNONYM]Z112400000[/SYNONYM][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][FRACTIONCSP3]0.35[/FRACTIONCSP3][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.78[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.88[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.88[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)\n", - "GT: 0.73 Gen: 0.39 diff: 0.34 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.73[/QED][FORMULA]C10H11N3O2S[/FORMULA][CLOGP]1.00[/CLOGP][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][FRACTIONCSP3]0.22[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NOCOUNT]5[/NOCOUNT][SYNONYM]AKOS012579266[/SYNONYM][SYNONYM]ZINC100002266[/SYNONYM][SYNONYM]Z1100000066[/SYNONYM][SYNONYM]Z1110000066[/SYNONYM][SYNONYM]Z1110000066[/SYNONYM][SYNONYM]Z1110000066[/SYNONYM][TPSA]67.01[/TPSA][QED]0.79[/QED][HEAVYATOMCOUNT]17[/HEAVYATOMCOUNT][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][RINGCOUNT]3[/RINGCOUNT][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.78[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.88[/SIMILAR][SIMILAR]CC\n", - "GT: 0.74 Gen: 0.39 diff: 0.35 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.74[/QED][FORMULA]C10H11N3O2S[/FORMULA][CLOGP]1.00[/CLOGP][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][FRACTIONCSP3]0.22[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][SYNONYM]SCHEMBL1306222[/SYNONYM][SYNONYM]ZINC10000000[/SYNONYM][SYNONYM]AKOS000120080[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][NOCOUNT]5[/NOCOUNT][QED]0.79[/QED][HEAVYATOMCOUNT]17[/HEAVYATOMCOUNT][SAS]2.69[/SAS][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][CLOGP]4.76[/CLOGP][WEIGHT]555.25[/WEIGHT][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.78[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(\n", - "GT: 0.75 Gen: 0.39 diff: 0.36 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.75[/QED][FORMULA]C10H11N3O2S[/FORMULA][CLOGP]1.00[/CLOGP][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][FRACTIONCSP3]0.25[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMHETEROATOMS]6[/NUMHETEROATOMS][IUPAC]2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid[/IUPAC][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NOCOUNT]5[/NOCOUNT][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NOCOUNT]5[/NOCOUNT][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][FRACTIONCSP3]0.35[/FRACTIONCSP3][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.78[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.88[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0\n", - "GT: 0.76 Gen: 0.39 diff: 0.37 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.76[/QED][FORMULA]C10H11N3O2S[/FORMULA][CLOGP]1.00[/CLOGP][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][FRACTIONCSP3]0.25[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMHETEROATOMS]6[/NUMHETEROATOMS][IUPAC]2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid[/IUPAC][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NOCOUNT]5[/NOCOUNT][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NOCOUNT]5[/NOCOUNT][QED]0.78[/QED][NOCOUNT]5[/NOCOUNT][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][CLOGP]4.77[/CLOGP][HEAVYATOMCOUNT]39[/HEAVYATOMCOUNT][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][FORMULA]C29H35FN4O4S[/FORMULA][SIMILAR]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.95[/SIMILAR][SIMILAR]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.95[/SIMILAR][SIMILAR]CC(C)C(C)NC(=O)C(C)\n", - "GT: 0.77 Gen: 0.39 diff: 0.38 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.77[/QED][FORMULA]C10H11N3O2S[/FORMULA][CLOGP]1.00[/CLOGP][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][FRACTIONCSP3]0.25[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][TPSA]67.01[/TPSA][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][FRACTIONCSP3]0.35[/FRACTIONCSP3][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.78[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.88[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.88[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O\n", - "GT: 0.78 Gen: 0.39 diff: 0.39 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.78[/QED][FORMULA]C10H11N3O2S[/FORMULA][CLOGP]1.00[/CLOGP][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][FRACTIONCSP3]0.25[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMHETEROATOMS]6[/NUMHETEROATOMS][IUPAC]2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid[/IUPAC][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NOCOUNT]5[/NOCOUNT][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NOCOUNT]5[/NOCOUNT][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][FRACTIONCSP3]0.35[/FRACTIONCSP3][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.78[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.88[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0\n", - "GT: 0.79 Gen: 0.39 diff: 0.4 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.79[/QED][FORMULA]C10H11N3O2S[/FORMULA][CLOGP]1.22[/CLOGP][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][FRACTIONCSP3]0.22[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMHETEROATOMS]6[/NUMHETEROATOMS][HEAVYATOMCOUNT]22[/HEAVYATOMCOUNT][SYNONYM]AKOS017079120[/SYNONYM][SYNONYM]Z112400000[/SYNONYM][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][FRACTIONCSP3]0.35[/FRACTIONCSP3][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.78[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.88[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.88[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)\n", - "GT: 0.8 Gen: 0.39 diff: 0.41 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.80[/QED][FORMULA]C10H11N3O2S[/FORMULA][CLOGP]1.22[/CLOGP][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][FRACTIONCSP3]0.22[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMHETEROATOMS]6[/NUMHETEROATOMS][HEAVYATOMCOUNT]22[/HEAVYATOMCOUNT][SYNONYM]AKOS017082120[/SYNONYM][SYNONYM]Z112400000[/SYNONYM][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][QED]0.38[/QED][IUPAC]2-[[2-[N-(benzenesulfonyl)-4-fluoroanilino]acetyl]-[(2R)-butan-2-yl]amino]-N-[(2R)-butan-2-yl]propanamide[/IUPAC][CLOGP]4.77[/CLOGP][WEIGHT]560.25[/WEIGHT][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.78[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.88[/SIMILAR][SIMILAR]\n", - "GT: 0.81 Gen: 0.39 diff: 0.42 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.81[/QED][FORMULA]C10H11N3O2S[/FORMULA][CLOGP]1.00[/CLOGP][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][FRACTIONCSP3]0.25[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][TPSA]67.01[/TPSA][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][FRACTIONCSP3]0.35[/FRACTIONCSP3][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.78[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.88[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.88[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O\n", - "GT: 0.8200000000000001 [QED]0.82[/QED][SIMILAR]CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC\n", - "GT: 0.8300000000000001 Gen: 0.39 diff: 0.44 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.83[/QED][FORMULA]C10H11N3O2S[/FORMULA][CLOGP]1.00[/CLOGP][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][FRACTIONCSP3]0.22[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMHETEROATOMS]6[/NUMHETEROATOMS][HEAVYATOMCOUNT]22[/HEAVYATOMCOUNT][SYNONYM]AKOS017082190[/SYNONYM][SYNONYM]Z112400000[/SYNONYM][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][FRACTIONCSP3]0.35[/FRACTIONCSP3][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.78[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.88[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.88[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)\n", - "GT: 0.84 Gen: 0.39 diff: 0.45 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.84[/QED][FORMULA]C10H11N3O2S[/FORMULA][CLOGP]1.00[/CLOGP][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][FRACTIONCSP3]0.22[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][SYNONYM]SCHEMBL1306222[/SYNONYM][SYNONYM]ZINC10000000[/SYNONYM][SYNONYM]AKOS000120080[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][NOCOUNT]5[/NOCOUNT][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][QED]0.79[/QED][SAS]2.69[/SAS][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][CLOGP]4.78[/CLOGP][WEIGHT]555.25[/WEIGHT][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.78[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(\n", - "GT: 0.85 Gen: 0.39 diff: 0.46 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.85[/QED][FORMULA]C10H11N3O2S[/FORMULA][CLOGP]1.00[/CLOGP][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][FRACTIONCSP3]0.25[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][TPSA]67.01[/TPSA][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][FRACTIONCSP3]0.35[/FRACTIONCSP3][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.78[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.88[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.88[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O\n", - "GT: 0.86 Gen: 0.39 diff: 0.47 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.86[/QED][FORMULA]C10H11N3O2S[/FORMULA][CLOGP]1.00[/CLOGP][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][FRACTIONCSP3]0.25[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMHETEROATOMS]6[/NUMHETEROATOMS][QED]0.79[/QED][SYNONYM]SCHEMBL1306225[/SYNONYM][SYNONYM]ZINC10000000[/SYNONYM][SYNONYM]AKOS000120062[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][TPSA]70.01[/TPSA][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][HEAVYATOMCOUNT]38[/HEAVYATOMCOUNT][FRACTIONCSP3]0.35[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][FORMULA]C29H35FN4O4S[/FORMULA][SIMILAR]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.95[/SIMILAR][SIMILAR]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)\n", - "GT: 0.87 Gen: 0.39 diff: 0.48 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.87[/QED][FORMULA]C10H11N3O2S[/FORMULA][CLOGP]1.00[/CLOGP][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][FRACTIONCSP3]0.25[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][TPSA]67.01[/TPSA][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][FRACTIONCSP3]0.35[/FRACTIONCSP3][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.78[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.88[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.88[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O\n", - "GT: 0.88 Gen: 0.85 diff: 0.03 CC(C)c1ccc(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 [QED]0.88[/QED][FORMULA]C10H11N3O2S[/FORMULA][CLOGP]1.00[/CLOGP][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][FRACTIONCSP3]0.25[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMHETEROATOMS]6[/NUMHETEROATOMS][IUPAC]2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid[/IUPAC][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NOCOUNT]5[/NOCOUNT][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NOCOUNT]5[/NOCOUNT][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][START_SMILES]CC(C)c1ccc(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1[END_SMILES][SIMILAR]CC(C)c1ccc(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 0.78[/SIMILAR][SIMILAR]CC(C)c1ccc(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 0.88[/SIMILAR][SIMILAR]CC(C)c1ccc(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 0.88[/SIMILAR][SIMILAR]CC(C)c1ccc(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 0.88[/SIMILAR][SIMILAR]CC(C)c1ccc(\n", - "GT: 0.89 Gen: 0.39 diff: 0.5 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.89[/QED][FORMULA]C10H12N2O2S[/FORMULA][CLOGP]1.50[/CLOGP][HEAVYATOMCOUNT]15[/HEAVYATOMCOUNT][FRACTIONCSP3]0.33[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][SYNONYM]SCHEMBL1000225[/SYNONYM][SYNONYM]ZINC10000250[/SYNONYM][SYNONYM]AKOS000120080[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][NOCOUNT]4[/NOCOUNT][HEAVYATOMCOUNT]15[/HEAVYATOMCOUNT][QED]0.79[/QED][SAS]2.69[/SAS][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][CLOGP]4.78[/CLOGP][WEIGHT]555.25[/WEIGHT][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.78[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(\n", - "GT: 0.9 Gen: 0.39 diff: 0.51 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.90[/QED][FORMULA]C10H12N2O2S[/FORMULA][CLOGP]1.50[/CLOGP][HEAVYATOMCOUNT]15[/HEAVYATOMCOUNT][FRACTIONCSP3]0.33[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][SYNONYM]SCHEMBL11000000[/SYNONYM][SYNONYM]ZINC10000000[/SYNONYM][SYNONYM]AKOS000120000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][SYNONYM]Z11100000[/SYNONYM][NOCOUNT]2[/NUMHACCEPTORS][HEAVYATOMCOUNT]14[/HEAVYATOMCOUNT][QED]0.74[/QED][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][CLOGP]4.76[/CLOGP][WEIGHT]547.25[/WEIGHT][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C\n", - "GT: 0.91 Gen: 0.39 diff: 0.52 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.91[/QED][FORMULA]C10H11N3O2S[/FORMULA][CLOGP]1.00[/CLOGP][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][FRACTIONCSP3]0.25[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][TPSA]67.01[/TPSA][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][FRACTIONCSP3]0.35[/FRACTIONCSP3][HEAVYATOMCOUNT]39[/HEAVYATOMCOUNT][FORMULA]C29H35FN4O4S[/FORMULA][SIMILAR]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.95[/SIMILAR][SIMILAR]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.95[/SIMILAR][SIMILAR]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.95[/SIMILAR][SIMILAR]CC(C)C(C)\n", - "GT: 0.92 Gen: 0.39 diff: 0.53 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.92[/QED][FORMULA]C10H11N3O2S[/FORMULA][CLOGP]1.00[/CLOGP][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][FRACTIONCSP3]0.22[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NOCOUNT]5[/NOCOUNT][HEAVYATOMCOUNT]22[/HEAVYATOMCOUNT][SYNONYM]AKOS017072120[/SYNONYM][SYNONYM]Z119000000[/SYNONYM][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][FRACTIONCSP3]0.35[/FRACTIONCSP3][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.78[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.88[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.88[/SIMILAR][SIMILAR]CC(C)NC(=O)C\n", - "GT: 0.93 Gen: 0.39 diff: 0.54 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.93[/QED][FORMULA]C10H11N3O2S[/FORMULA][CLOGP]1.00[/CLOGP][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][FRACTIONCSP3]0.22[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NOCOUNT]5[/NOCOUNT][SYNONYM]AKOS012579266[/SYNONYM][SYNONYM]ZINC100100000[/SYNONYM][SYNONYM]Z1190000000[/SYNONYM][SYNONYM]Z1190000000[/SYNONYM][SYNONYM]Z1190000000[/SYNONYM][SYNONYM]Z1190000000[/SYNONYM][TPSA]67.01[/TPSA][QED]0.79[/QED][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][RINGCOUNT]3[/RINGCOUNT][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.78[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.88[/SIMILAR][SIMILAR]CC\n", - "GT: 0.9400000000000001 Gen: 0.39 diff: 0.55 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.94[/QED][FORMULA]C10H11N3O2S[/FORMULA][CLOGP]1.00[/CLOGP][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][FRACTIONCSP3]0.22[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][SYNONYM]AKOS012079122[/SYNONYM][SYNONYM]ZINC100002260[/SYNONYM][SYNONYM]Z1190000800[/SYNONYM][SYNONYM]Z1190000800[/SYNONYM][SYNONYM]Z1190000800[/SYNONYM][SYNONYM]Z1190000800[/SYNONYM][SYNONYM]Z1190000800[/SYNONYM][NOCOUNT]5[/NOCOUNT][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][QED]0.79[/QED][SAS]2.60[/SAS][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][CLOGP]4.77[/CLOGP][WEIGHT]555.25[/WEIGHT][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.78[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F\n", - "GT: 0.9500000000000001 Gen: 0.39 diff: 0.56 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.95[/QED][FORMULA]C10H11N3O2S[/FORMULA][CLOGP]1.00[/CLOGP][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][FRACTIONCSP3]0.22[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NOCOUNT]5[/NOCOUNT][SYNONYM]AKOS012572266[/SYNONYM][SYNONYM]ZINC100002280[/SYNONYM][SYNONYM]Z1100000000[/SYNONYM][SYNONYM]Z1110000000[/SYNONYM][SYNONYM]Z1110000000[/SYNONYM][NOCOUNT]5[/NOCOUNT][IUPAC]N-(2-amino-2-oxoethyl)-5-methyl-1,3-thiazol-2-amine[/IUPAC][QED]0.68[/QED][NOCOUNT]5[/NOCOUNT][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][CLOGP]4.76[/CLOGP][HEAVYATOMCOUNT]39[/HEAVYATOMCOUNT][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMHETEROATOMS]9[/NUMHETEROATOMS][FORMULA]C29H35FN4O4S[/FORMULA][SIMILAR]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.95[/SIMILAR][SIMILAR]CC(C)C(C)NC(=O)C(\n", - "GT: 0.96 Gen: 0.39 diff: 0.57 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.96[/QED][FORMULA]C10H11N3O2S[/FORMULA][CLOGP]1.00[/CLOGP][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][FRACTIONCSP3]0.25[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMHETEROATOMS]6[/NUMHETEROATOMS][QED]0.79[/QED][SYNONYM]AKOS011502220[/SYNONYM][SYNONYM]Z119000000[/SYNONYM][NOCOUNT]5[/NOCOUNT][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][CLOGP]4.76[/CLOGP][HEAVYATOMCOUNT]39[/HEAVYATOMCOUNT][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.78[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.88[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.88[/SIMILAR][SIMILAR]CC(C\n", - "GT: 0.97 Gen: 0.39 diff: 0.58 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.97[/QED][FORMULA]C10H11N3O2S[/FORMULA][CLOGP]1.00[/CLOGP][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][FRACTIONCSP3]0.25[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][TPSA]67.01[/TPSA][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][FRACTIONCSP3]0.35[/FRACTIONCSP3][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.78[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.88[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.88[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O\n", - "GT: 0.98 Gen: 0.39 diff: 0.59 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.98[/QED][FORMULA]C10H11N3O2S[/FORMULA][CLOGP]1.00[/CLOGP][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][FRACTIONCSP3]0.25[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMHETEROATOMS]6[/NUMHETEROATOMS][QED]0.79[/QED][SYNONYM]AKOS011500220[/SYNONYM][SYNONYM]Z119000000[/SYNONYM][NOCOUNT]5[/NOCOUNT][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][CLOGP]4.78[/CLOGP][HEAVYATOMCOUNT]39[/HEAVYATOMCOUNT][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.78[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.88[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.88[/SIMILAR][SIMILAR]CC(C\n", - "GT: 0.99 Gen: 0.39 diff: 0.6 CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 [QED]0.99[/QED][FORMULA]C10H11N3O2S[/FORMULA][CLOGP]1.22[/CLOGP][HEAVYATOMCOUNT]16[/HEAVYATOMCOUNT][FRACTIONCSP3]0.22[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NOCOUNT]5[/NOCOUNT][HEAVYATOMCOUNT]22[/HEAVYATOMCOUNT][SYNONYM]AKOS017072222[/SYNONYM][SYNONYM]Z112400000[/SYNONYM][START_SMILES]CC(C)C(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[END_SMILES][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][FRACTIONCSP3]0.35[/FRACTIONCSP3][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.78[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.88[/SIMILAR][SIMILAR]CC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 0.88[/SIMILAR][SIMILAR]CC(C)NC(=O)C\n" + "GT: 0.0 Gen: 0.01 diff: 0.01 CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc(C(=O)O)cc1.CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc(C(=O)O)cc1.CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc(C(=O)O)cc1.CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc(C(=O)O)cc1.CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc(C(=O)O)cc1.CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc(C(=O)O)cc1.CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc(C(=O)O)cc1.CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc(C(=O)O)cc1.CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc(C(=O)O)cc1.CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc(C(=O)O)cc1.CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc(C(=O)O)cc1.CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc(C(=O)O)cc1.CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc(C(=O)O)cc1.CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc(C(=O)O)cc1.CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc(C(=O)O)cc1.CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc(C(=O)O)cc1.CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc(C(=O)O)cc1 [QED]0.00[/QED][NUMHETEROATOMS]102[/NUMHETEROATOMS][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][NUMAROMATICHETEROCYCLES]0[/NUMAROMATICHETEROCYCLES][NUMAROMATICCARBOCYCLES]12[/NUMAROMATICCARBOCYCLES][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][SAS]9.85[/SAS][CLOGP]33.76[/CLOGP][TPSA]1170.80[/TPSA][RINGCOUNT]12[/RINGCOUNT][NHOHCOUNT]32[/NHOHCOUNT][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][WEIGHT]4591.20[/WEIGHT][NUMHDONORS]28[/NUMHDONORS][NOCOUNT]82[/NOCOUNT][NUMROTATABLEBONDS]108[/NUMROTATABLEBONDS][NUMHACCEPTORS]62[/NUMHACCEPTORS][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][START_SMILES]CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc(C(=O)O)cc1.CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc(C(=O)O)cc1.CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc(C(=O)O)cc1.CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc(C(=O)O)cc1.CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc(C(=O)O)cc1.CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc(C(=O)O)cc1.CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc(C(=O)O)cc1.CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc(C(=O)O)cc1.CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc(C(=O)O)cc1.CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc(C(=O)O)cc1.CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc(C(=O)O)cc1.CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc(C(=O)O)cc1.CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc(C(=O)O)cc1.CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc(C(=O)O)cc1.CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc(C(=O)O)cc1.CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc(C(=O)O)cc1.CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc(C(=O)O)cc1[END_SMILES]\n", + "GT: 0.01 Gen: 0.03 diff: 0.02 CC(C)(C)OC(=O)NCCCCC(NC(=O)OC(C)(C)C)C(=O)NCC(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)NCC(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)NCC(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)NCC(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)NCC(=O)O [QED]0.01[/QED][NUMHETEROATOMS]32[/NUMHETEROATOMS][NHOHCOUNT]12[/NHOHCOUNT][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][NUMAROMATICHETEROCYCLES]0[/NUMAROMATICHETEROCYCLES][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMROTATABLEBONDS]46[/NUMROTATABLEBONDS][RINGCOUNT]0[/RINGCOUNT][NUMAROMATICCARBOCYCLES]0[/NUMAROMATICCARBOCYCLES][SAS]5.78[/SAS][CLOGP]-1.09[/CLOGP][NUMHDONORS]12[/NUMHDONORS][NUMHACCEPTORS]20[/NUMHACCEPTORS][NOCOUNT]28[/NOCOUNT][HEAVYATOMCOUNT]82[/HEAVYATOMCOUNT][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][START_SMILES]CC(C)(C)OC(=O)NCCCCC(NC(=O)OC(C)(C)C)C(=O)NCC(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)NCC(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)NCC(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)NCC(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)NCC(=O)O[END_SMILES]\n", + "GT: 0.02 Gen: 0.02 diff: 0.0 CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(COC(=O)CCCCCCCCCC)OC(=O)CCCCCCCCCC [QED]0.02[/QED][NUMHETEROATOMS]19[/NUMHETEROATOMS][NHOHCOUNT]3[/NHOHCOUNT][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][SAS]5.27[/SAS][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][NUMAROMATICHETEROCYCLES]0[/NUMAROMATICHETEROCYCLES][RINGCOUNT]0[/RINGCOUNT][HEAVYATOMCOUNT]86[/HEAVYATOMCOUNT][NUMROTATABLEBONDS]68[/NUMROTATABLEBONDS][NUMHACCEPTORS]15[/NUMHACCEPTORS][START_SMILES]CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(COC(=O)CCCCCCCCCC)OC(=O)CCCCCCCCCC[END_SMILES]\n", + "GT: 0.03 Gen: 0.02 diff: 0.01 CCCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCC=CCC=CCCCCC [QED]0.03[/QED][NUMHETEROATOMS]10[/NUMHETEROATOMS][NHOHCOUNT]0[/NHOHCOUNT][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHACCEPTORS]8[/NUMHACCEPTORS][NUMAROMATICCARBOCYCLES]0[/NUMAROMATICCARBOCYCLES][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][CLOGP]15.77[/CLOGP][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMAROMATICHETEROCYCLES]0[/NUMAROMATICHETEROCYCLES][SAS]4.26[/SAS][RINGCOUNT]0[/RINGCOUNT][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NOCOUNT]9[/NOCOUNT][HEAVYATOMCOUNT]65[/HEAVYATOMCOUNT][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][NUMHDONORS]0[/NUMHDONORS][NUMAROMATICRINGS]0[/NUMAROMATICRINGS][WEIGHT]920.74[/WEIGHT][NUMROTATABLEBONDS]48[/NUMROTATABLEBONDS][FRACTIONCSP3]0.77[/FRACTIONCSP3][TPSA]111.19[/TPSA][IUPAC][3-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxy-2-[(11Z,14Z)-icosa-11,14-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate[/IUPAC][START_SMILES]CCCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCC=CCC=CCCCCC[END_SMILES]\n", + "GT: 0.04 Gen: 0.03 diff: 0.01 CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)C(CC(=O)[O-])N(C)C(=O)OCCN(C)C [QED]0.04[/QED][NUMHETEROATOMS]12[/NUMHETEROATOMS][NUMHACCEPTORS]10[/NUMHACCEPTORS][NHOHCOUNT]0[/NHOHCOUNT][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][RINGCOUNT]0[/RINGCOUNT][NUMAROMATICCARBOCYCLES]0[/NUMAROMATICCARBOCYCLES][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][SAS]3.76[/SAS][NOCOUNT]12[/NOCOUNT][CLOGP]10.05[/CLOGP][START_SMILES]CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)C(CC(=O)[O-])N(C)C(=O)OCCN(C)C[END_SMILES]\n", + "GT: 0.05 Gen: 0.07 diff: 0.02 CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7nc(-c8ccc(C(C)(C)C)cc8)nc(-c8ccc(C(C)(C)C)cc8)n7)cc6)s5)c5nsnc45)cc3)n2)cc1.[C-]#[N+]C(C#N)=Cc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C=C(C#N)[N+]#[C-])s5)c5nsnc45)s3)s2)s1 [QED]0.05[/QED][NUMHETEROATOMS]14[/NUMHETEROATOMS][NUMHACCEPTORS]14[/NUMHACCEPTORS][NHOHCOUNT]0[/NHOHCOUNT][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][RINGCOUNT]12[/RINGCOUNT][NUMAROMATICCARBOCYCLES]8[/NUMAROMATICCARBOCYCLES][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMAROMATICHETEROCYCLES]4[/NUMAROMATICHETEROCYCLES][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][SAS]3.71[/SAS][START_SMILES]CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7nc(-c8ccc(C(C)(C)C)cc8)nc(-c8ccc(C(C)(C)C)cc8)n7)cc6)s5)c5nsnc45)cc3)n2)cc1.[C-]#[N+]C(C#N)=Cc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C=C(C#N)[N+]#[C-])s5)c5nsnc45)s3)s2)s1[END_SMILES]\n", + "GT: 0.06 Gen: 0.13 diff: 0.07 CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8nc(-c9ccc(C(C)(C)C)cc9)nc(-c9ccc(C(C)(C)C)cc9)n8)cc7)cc6)cc5)cc4)cc3)n2)cc1.O=C=O.O=C=O [QED]0.06[/QED][NUMHETEROATOMS]12[/NUMHETEROATOMS][NUMHACCEPTORS]10[/NUMHACCEPTORS][NHOHCOUNT]0[/NHOHCOUNT][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][RINGCOUNT]10[/RINGCOUNT][NUMAROMATICCARBOCYCLES]8[/NUMAROMATICCARBOCYCLES][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NUMAROMATICHETEROCYCLES]2[/NUMAROMATICHETEROCYCLES][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][SAS]3.37[/SAS][START_SMILES]CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8nc(-c9ccc(C(C)(C)C)cc9)nc(-c9ccc(C(C)(C)C)cc9)n8)cc7)cc6)cc5)cc4)cc3)n2)cc1.O=C=O.O=C=O[END_SMILES]\n", + "GT: 0.07 Gen: 0.11 diff: 0.04 CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5cc(-c6ccccc6)ccn5)cc(-c5ccccc5)c4)cccc3n2-c2ccc(-c3ccccc3)cc2-c2ccccc2)c(O)c(C(C)(C)C)c1.[Pt].[Pt].[Pt].[c-]1c(-c2ccccn2)cccc1-c1cccc2c1nc(-c1ccccc1O)n2-c1ccc(-c2ccccc2)cc1-c1ccccc1 [QED]0.07[/QED][NUMHETEROATOMS]12[/NUMHETEROATOMS][NUMHACCEPTORS]10[/NUMHACCEPTORS][NHOHCOUNT]0[/NHOHCOUNT][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][RINGCOUNT]10[/RINGCOUNT][NUMAROMATICCARBOCYCLES]6[/NUMAROMATICCARBOCYCLES][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMAROMATICHETEROCYCLES]4[/NUMAROMATICHETEROCYCLES][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][SAS]3.51[/SAS][START_SMILES]CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5cc(-c6ccccc6)ccn5)cc(-c5ccccc5)c4)cccc3n2-c2ccc(-c3ccccc3)cc2-c2ccccc2)c(O)c(C(C)(C)C)c1.[Pt].[Pt].[Pt].[c-]1c(-c2ccccn2)cccc1-c1cccc2c1nc(-c1ccccc1O)n2-c1ccc(-c2ccccc2)cc1-c1ccccc1[END_SMILES]\n", + "GT: 0.08 Gen: 0.26 diff: 0.18 CC(=O)OCC(COC(C)=O)OC(=O)CC(C)(C)CC(=O)OCC(COC(C)=O)OC(C)=O [QED]0.08[/QED][NUMHETEROATOMS]12[/NUMHETEROATOMS][NUMHACCEPTORS]10[/NUMHACCEPTORS][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][NUMAROMATICHETEROCYCLES]0[/NUMAROMATICHETEROCYCLES][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][RINGCOUNT]0[/RINGCOUNT][NHOHCOUNT]0[/NHOHCOUNT][NUMAROMATICCARBOCYCLES]0[/NUMAROMATICCARBOCYCLES][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NOCOUNT]12[/NOCOUNT][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][NUMROTATABLEBONDS]18[/NUMROTATABLEBONDS][SAS]3.76[/SAS][CLOGP]-0.19[/CLOGP][START_SMILES]CC(=O)OCC(COC(C)=O)OC(=O)CC(C)(C)CC(=O)OCC(COC(C)=O)OC(C)=O[END_SMILES]\n", + "GT: 0.09 Gen: 0.25 diff: 0.16 CC(=O)OCC(COC(C)=O)OC(=O)C(C)(C)CC(C)(C)C(=O)OCC(COC(C)=O)OC(C)=O [QED]0.09[/QED][NUMHETEROATOMS]12[/NUMHETEROATOMS][NHOHCOUNT]0[/NHOHCOUNT][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][NUMHACCEPTORS]12[/NUMHACCEPTORS][NUMAROMATICCARBOCYCLES]0[/NUMAROMATICCARBOCYCLES][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NOCOUNT]12[/NOCOUNT][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][CLOGP]1.83[/CLOGP][NUMAROMATICHETEROCYCLES]0[/NUMAROMATICHETEROCYCLES][SAS]3.76[/SAS][NUMHDONORS]0[/NUMHDONORS][RINGCOUNT]0[/RINGCOUNT][NUMAROMATICRINGS]0[/NUMAROMATICRINGS][START_SMILES]CC(=O)OCC(COC(C)=O)OC(=O)C(C)(C)CC(C)(C)C(=O)OCC(COC(C)=O)OC(C)=O[END_SMILES]\n", + "GT: 0.1 Gen: 0.16 diff: 0.06 CC(C)(C)OC(=O)NCCCC(=O)NCCOCCOCCOCCOCCOCCOCCO [QED]0.10[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]12[/NUMHETEROATOMS][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][NUMHACCEPTORS]10[/NUMHACCEPTORS][NUMAROMATICHETEROCYCLES]0[/NUMAROMATICHETEROCYCLES][NUMAROMATICCARBOCYCLES]0[/NUMAROMATICCARBOCYCLES][TPSA]178.28[/TPSA][START_SMILES]CC(C)(C)OC(=O)NCCCC(=O)NCCOCCOCCOCCOCCOCCOCCO[END_SMILES]\n", + "GT: 0.11 Gen: 0.14 diff: 0.03 CCCCCCCCCCCCCCCC(=O)NC(C(=O)O)C(O)C(O)C(=O)[O-].[Na+] [QED]0.11[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]10[/NUMHETEROATOMS][NUMHACCEPTORS]7[/NUMHACCEPTORS][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][NUMAROMATICHETEROCYCLES]0[/NUMAROMATICHETEROCYCLES][RINGCOUNT]0[/RINGCOUNT][HEAVYATOMCOUNT]30[/HEAVYATOMCOUNT][NUMAROMATICCARBOCYCLES]0[/NUMAROMATICCARBOCYCLES][SAS]3.56[/SAS][NHOHCOUNT]4[/NHOHCOUNT][NOCOUNT]9[/NOCOUNT][NUMROTATABLEBONDS]18[/NUMROTATABLEBONDS][CLOGP]1.27[/CLOGP][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMHDONORS]4[/NUMHDONORS][NUMAROMATICRINGS]0[/NUMAROMATICRINGS][START_SMILES]CCCCCCCCCCCCCCCC(=O)NC(C(=O)O)C(O)C(O)C(=O)[O-].[Na+][END_SMILES]\n", + "GT: 0.12 Gen: 0.16 diff: 0.04 CCCCCCCCCCCCCC(=O)NC(C(=O)NC(C)C(=O)O)C(C)OS(=O)(=O)O [QED]0.12[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]10[/NUMHETEROATOMS][NUMHACCEPTORS]7[/NUMHACCEPTORS][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][NUMAROMATICHETEROCYCLES]0[/NUMAROMATICHETEROCYCLES][RINGCOUNT]0[/RINGCOUNT][HEAVYATOMCOUNT]30[/HEAVYATOMCOUNT][NUMAROMATICCARBOCYCLES]0[/NUMAROMATICCARBOCYCLES][SAS]3.56[/SAS][NHOHCOUNT]4[/NHOHCOUNT][NOCOUNT]9[/NOCOUNT][CLOGP]1.83[/CLOGP][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMHDONORS]4[/NUMHDONORS][NUMROTATABLEBONDS]17[/NUMROTATABLEBONDS][NUMAROMATICRINGS]0[/NUMAROMATICRINGS][START_SMILES]CCCCCCCCCCCCCC(=O)NC(C(=O)NC(C)C(=O)O)C(C)OS(=O)(=O)O[END_SMILES]\n", + "GT: 0.13 Gen: 0.15 diff: 0.02 CCCCCCCCCCCC(=O)NC(C(=O)NC(C)C(=O)O)C(O)C(=O)[O-].[Na+] [QED]0.13[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]10[/NUMHETEROATOMS][NUMHACCEPTORS]7[/NUMHACCEPTORS][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][NUMAROMATICHETEROCYCLES]0[/NUMAROMATICHETEROCYCLES][RINGCOUNT]0[/RINGCOUNT][HEAVYATOMCOUNT]29[/HEAVYATOMCOUNT][NUMAROMATICCARBOCYCLES]0[/NUMAROMATICCARBOCYCLES][SAS]3.56[/SAS][NHOHCOUNT]4[/NHOHCOUNT][NOCOUNT]9[/NOCOUNT][NUMROTATABLEBONDS]17[/NUMROTATABLEBONDS][CLOGP]1.18[/CLOGP][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMHDONORS]4[/NUMHDONORS][NUMAROMATICRINGS]0[/NUMAROMATICRINGS][START_SMILES]CCCCCCCCCCCC(=O)NC(C(=O)NC(C)C(=O)O)C(O)C(=O)[O-].[Na+][END_SMILES]\n", + "GT: 0.14 Gen: 0.14 diff: 0.0 CCOc1cc(C=NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)ccc1OC(=O)c1ccco1 [QED]0.14[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]10[/NUMHETEROATOMS][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][NUMHACCEPTORS]7[/NUMHACCEPTORS][NUMAROMATICCARBOCYCLES]3[/NUMAROMATICCARBOCYCLES][TPSA]119.00[/TPSA][RINGCOUNT]4[/RINGCOUNT][START_SMILES]CCOc1cc(C=NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)ccc1OC(=O)c1ccco1[END_SMILES]\n", + "GT: 0.15 Gen: 0.14 diff: 0.01 CCOc1cc(C=NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)ccc1OC(=O)c1ccco1 [QED]0.15[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]10[/NUMHETEROATOMS][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][NUMHACCEPTORS]7[/NUMHACCEPTORS][NUMAROMATICCARBOCYCLES]3[/NUMAROMATICCARBOCYCLES][TPSA]114.04[/TPSA][RINGCOUNT]4[/RINGCOUNT][START_SMILES]CCOc1cc(C=NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)ccc1OC(=O)c1ccco1[END_SMILES]\n", + "GT: 0.16 Gen: 0.22 diff: 0.06 CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)Nc1ccc(SCc2nnc(-c3ccccc3)o2)cc1.CO [QED]0.16[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]10[/NUMHETEROATOMS][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][NUMHACCEPTORS]7[/NUMHACCEPTORS][RINGCOUNT]4[/RINGCOUNT][NUMAROMATICCARBOCYCLES]3[/NUMAROMATICCARBOCYCLES][TPSA]119.08[/TPSA][WEIGHT]576.23[/WEIGHT][NHOHCOUNT]3[/NHOHCOUNT][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][START_SMILES]CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)Nc1ccc(SCc2nnc(-c3ccccc3)o2)cc1.CO[END_SMILES]\n", + "GT: 0.17 Gen: 0.13 diff: 0.04 CCOc1cc(C=NNC(=O)c2cc3cc(Br)cc(Br)c3o2)ccc1OCc1ccc(C(=O)NCC(C)C)cc1 [QED]0.17[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]10[/NUMHETEROATOMS][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][NUMHACCEPTORS]6[/NUMHACCEPTORS][RINGCOUNT]4[/RINGCOUNT][HEAVYATOMCOUNT]40[/HEAVYATOMCOUNT][NUMAROMATICCARBOCYCLES]3[/NUMAROMATICCARBOCYCLES][SAS]2.58[/SAS][CLOGP]6.59[/CLOGP][START_SMILES]CCOc1cc(C=NNC(=O)c2cc3cc(Br)cc(Br)c3o2)ccc1OCc1ccc(C(=O)NCC(C)C)cc1[END_SMILES]\n", + "GT: 0.18 Gen: 0.15 diff: 0.03 CCOc1cc(C=NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1OC(=O)c1ccco1 [QED]0.18[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]10[/NUMHETEROATOMS][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][NUMHACCEPTORS]7[/NUMHACCEPTORS][RINGCOUNT]4[/RINGCOUNT][NUMAROMATICCARBOCYCLES]3[/NUMAROMATICCARBOCYCLES][TPSA]115.22[/TPSA][NHOHCOUNT]2[/NHOHCOUNT][START_SMILES]CCOc1cc(C=NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1OC(=O)c1ccco1[END_SMILES]\n", + "GT: 0.19 Gen: 0.15 diff: 0.04 CCOc1cc(C=NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1OC(=O)c1ccco1 [QED]0.19[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]10[/NUMHETEROATOMS][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][NUMHACCEPTORS]7[/NUMHACCEPTORS][RINGCOUNT]4[/RINGCOUNT][NUMAROMATICCARBOCYCLES]3[/NUMAROMATICCARBOCYCLES][TPSA]115.22[/TPSA][NHOHCOUNT]2[/NHOHCOUNT][START_SMILES]CCOc1cc(C=NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1OC(=O)c1ccco1[END_SMILES]\n", + "GT: 0.2 Gen: 0.13 diff: 0.07 CCOc1cc(C=NNC(=O)c2cc3cc(Br)cc(Br)c3o2)ccc1OCc1ccc(C(=O)OC)cc1 [QED]0.20[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]10[/NUMHETEROATOMS][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][SAS]2.57[/SAS][RINGCOUNT]4[/RINGCOUNT][HEAVYATOMCOUNT]38[/HEAVYATOMCOUNT][NUMHACCEPTORS]7[/NUMHACCEPTORS][NHOHCOUNT]1[/NHOHCOUNT][NUMAROMATICCARBOCYCLES]3[/NUMAROMATICCARBOCYCLES][CLOGP]6.09[/CLOGP][START_SMILES]CCOc1cc(C=NNC(=O)c2cc3cc(Br)cc(Br)c3o2)ccc1OCc1ccc(C(=O)OC)cc1[END_SMILES]\n", + "GT: 0.21 Gen: 0.18 diff: 0.03 CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3)cc2)c2ccccc2)cc1 [QED]0.21[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]10[/NUMHETEROATOMS][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][NUMHACCEPTORS]7[/NUMHACCEPTORS][RINGCOUNT]4[/RINGCOUNT][NUMAROMATICCARBOCYCLES]3[/NUMAROMATICCARBOCYCLES][TPSA]115.22[/TPSA][WEIGHT]563.19[/WEIGHT][NHOHCOUNT]2[/NHOHCOUNT][START_SMILES]CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3)cc2)c2ccccc2)cc1[END_SMILES]\n", + "GT: 0.22 Gen: 0.21 diff: 0.01 CCOC(=O)c1c(NC(=O)CSc2nnc(C(C)Oc3ccc(F)cc3)n2CC)sc2ccccc12 [QED]0.22[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]10[/NUMHETEROATOMS][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][SAS]2.57[/SAS][RINGCOUNT]4[/RINGCOUNT][HEAVYATOMCOUNT]36[/HEAVYATOMCOUNT][NUMHACCEPTORS]8[/NUMHACCEPTORS][NHOHCOUNT]1[/NHOHCOUNT][NUMAROMATICCARBOCYCLES]2[/NUMAROMATICCARBOCYCLES][CLOGP]4.99[/CLOGP][START_SMILES]CCOC(=O)c1c(NC(=O)CSc2nnc(C(C)Oc3ccc(F)cc3)n2CC)sc2ccccc12[END_SMILES]\n", + "GT: 0.23 Gen: 0.2 diff: 0.03 CCOC(=O)c1c(NC(=O)C(C)OC(=O)c2ccc(-n3c(C)ccc3C)cc2)sc(C(=O)c2ccccc2)c1C [QED]0.23[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]10[/NUMHETEROATOMS][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][SAS]2.57[/SAS][RINGCOUNT]4[/RINGCOUNT][HEAVYATOMCOUNT]36[/HEAVYATOMCOUNT][NUMHACCEPTORS]8[/NUMHACCEPTORS][NHOHCOUNT]1[/NHOHCOUNT][NUMAROMATICCARBOCYCLES]2[/NUMAROMATICCARBOCYCLES][CLOGP]4.99[/CLOGP][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMAROMATICHETEROCYCLES]2[/NUMAROMATICHETEROCYCLES][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][WEIGHT]506.16[/WEIGHT][TPSA]108.47[/TPSA][START_SMILES]CCOC(=O)c1c(NC(=O)C(C)OC(=O)c2ccc(-n3c(C)ccc3C)cc2)sc(C(=O)c2ccccc2)c1C[END_SMILES]\n", + "GT: 0.24 Gen: 0.26 diff: 0.02 CCOc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3C)nnc2-c2ccoc2C)cc1OCC [QED]0.24[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]10[/NUMHETEROATOMS][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][SAS]2.57[/SAS][RINGCOUNT]4[/RINGCOUNT][HEAVYATOMCOUNT]36[/HEAVYATOMCOUNT][NUMHACCEPTORS]8[/NUMHACCEPTORS][NHOHCOUNT]1[/NHOHCOUNT][NUMAROMATICCARBOCYCLES]2[/NUMAROMATICCARBOCYCLES][CLOGP]4.99[/CLOGP][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMAROMATICHETEROCYCLES]2[/NUMAROMATICHETEROCYCLES][NOCOUNT]9[/NOCOUNT][NUMROTATABLEBONDS]10[/NUMROTATABLEBONDS][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMAROMATICRINGS]4[/NUMAROMATICRINGS][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][NUMHDONORS]1[/NUMHDONORS][FRACTIONCSP3]0.23[/FRACTIONCSP3][TPSA]108.47[/TPSA][WEIGHT]505.18[/WEIGHT][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][START_SMILES]CCOc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3C)nnc2-c2ccoc2C)cc1OCC[END_SMILES]\n", + "GT: 0.25 Gen: 0.31 diff: 0.06 CCOc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3C)nnc2-c2cccc(C)c2)cc1C(=O)[O-] [QED]0.25[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]10[/NUMHETEROATOMS][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][SAS]2.63[/SAS][RINGCOUNT]4[/RINGCOUNT][HEAVYATOMCOUNT]37[/HEAVYATOMCOUNT][NUMHACCEPTORS]7[/NUMHACCEPTORS][NHOHCOUNT]1[/NHOHCOUNT][NUMAROMATICCARBOCYCLES]3[/NUMAROMATICCARBOCYCLES][CLOGP]5.89[/CLOGP][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NOCOUNT]8[/NOCOUNT][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][NUMHDONORS]1[/NUMHDONORS][TPSA]99.52[/TPSA][NUMROTATABLEBONDS]9[/NUMROTATABLEBONDS][FRACTIONCSP3]0.19[/FRACTIONCSP3][WEIGHT]537.12[/WEIGHT][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NUMAROMATICRINGS]4[/NUMAROMATICRINGS][START_SMILES]CCOc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3C)nnc2-c2cccc(C)c2)cc1C(=O)[O-][END_SMILES]\n", + "GT: 0.26 Gen: 0.3 diff: 0.04 COc1ccc(CCNC(=O)CSc2nnc(-c3csc(C)n3)n2-c2ccccc2)cc1OC.Cl [QED]0.26[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]10[/NUMHETEROATOMS][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][SAS]2.57[/SAS][RINGCOUNT]4[/RINGCOUNT][HEAVYATOMCOUNT]35[/HEAVYATOMCOUNT][NUMHACCEPTORS]8[/NUMHACCEPTORS][NHOHCOUNT]1[/NHOHCOUNT][NUMAROMATICCARBOCYCLES]2[/NUMAROMATICCARBOCYCLES][CLOGP]4.90[/CLOGP][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMAROMATICHETEROCYCLES]2[/NUMAROMATICHETEROCYCLES][NOCOUNT]8[/NOCOUNT][NUMROTATABLEBONDS]9[/NUMROTATABLEBONDS][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][FRACTIONCSP3]0.24[/FRACTIONCSP3][NUMAROMATICRINGS]4[/NUMAROMATICRINGS][WEIGHT]510.13[/WEIGHT][TPSA]95.34[/TPSA][NUMHDONORS]1[/NUMHDONORS][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][IUPAC]N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[5-(2-methyl-1,3-thiazol-4-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide;hydrochloride[/IUPAC][START_SMILES]COc1ccc(CCNC(=O)CSc2nnc(-c3csc(C)n3)n2-c2ccccc2)cc1OC.Cl[END_SMILES]\n", + "GT: 0.27 Gen: 0.18 diff: 0.09 CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)oc(C)c1C(C)=O [QED]0.27[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]10[/NUMHETEROATOMS][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][SAS]2.53[/SAS][RINGCOUNT]4[/RINGCOUNT][HEAVYATOMCOUNT]36[/HEAVYATOMCOUNT][NUMHACCEPTORS]8[/NUMHACCEPTORS][NHOHCOUNT]1[/NHOHCOUNT][NUMAROMATICCARBOCYCLES]2[/NUMAROMATICCARBOCYCLES][CLOGP]4.90[/CLOGP][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMAROMATICHETEROCYCLES]2[/NUMAROMATICHETEROCYCLES][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][WEIGHT]507.16[/WEIGHT][TPSA]108.47[/TPSA][START_SMILES]CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)oc(C)c1C(C)=O[END_SMILES]\n", + "GT: 0.28 Gen: 0.3 diff: 0.02 COc1ccc(-c2nnc(SCC(=O)N(C)C(C(=O)Nc3ccccc3)c3ccccc3)o2)cc1Cl [QED]0.28[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]10[/NUMHETEROATOMS][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][SAS]2.57[/SAS][RINGCOUNT]4[/RINGCOUNT][HEAVYATOMCOUNT]36[/HEAVYATOMCOUNT][NUMHACCEPTORS]7[/NUMHACCEPTORS][NHOHCOUNT]1[/NHOHCOUNT][NUMAROMATICCARBOCYCLES]3[/NUMAROMATICCARBOCYCLES][CLOGP]5.29[/CLOGP][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NOCOUNT]8[/NOCOUNT][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][NUMROTATABLEBONDS]9[/NUMROTATABLEBONDS][FRACTIONCSP3]0.15[/FRACTIONCSP3][TPSA]103.54[/TPSA][WEIGHT]523.11[/WEIGHT][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NUMHDONORS]1[/NUMHDONORS][NUMAROMATICRINGS]4[/NUMAROMATICRINGS][START_SMILES]COc1ccc(-c2nnc(SCC(=O)N(C)C(C(=O)Nc3ccccc3)c3ccccc3)o2)cc1Cl[END_SMILES]\n", + "GT: 0.29 Gen: 0.27 diff: 0.02 CCOC(=O)c1c(NC(=O)CSc2nnc(C(C)Oc3ccccc3)n2C)oc2ccccc12 [QED]0.29[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]10[/NUMHETEROATOMS][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][SAS]2.57[/SAS][RINGCOUNT]4[/RINGCOUNT][HEAVYATOMCOUNT]35[/HEAVYATOMCOUNT][NUMHACCEPTORS]8[/NUMHACCEPTORS][NHOHCOUNT]1[/NHOHCOUNT][NUMAROMATICCARBOCYCLES]2[/NUMAROMATICCARBOCYCLES][CLOGP]4.60[/CLOGP][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMAROMATICHETEROCYCLES]2[/NUMAROMATICHETEROCYCLES][NOCOUNT]9[/NOCOUNT][NUMROTATABLEBONDS]9[/NUMROTATABLEBONDS][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMAROMATICRINGS]4[/NUMAROMATICRINGS][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][NUMHDONORS]1[/NUMHDONORS][FRACTIONCSP3]0.24[/FRACTIONCSP3][TPSA]107.23[/TPSA][WEIGHT]493.16[/WEIGHT][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][START_SMILES]CCOC(=O)c1c(NC(=O)CSc2nnc(C(C)Oc3ccccc3)n2C)oc2ccccc12[END_SMILES]\n", + "GT: 0.3 Gen: 0.36 diff: 0.06 COc1ccc(CCNC(=O)c2cc(C)ccc2Sc2n[nH]c(-c3ccoc3C)n2)cc1OC [QED]0.30[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]10[/NUMHETEROATOMS][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][NUMHACCEPTORS]7[/NUMHACCEPTORS][RINGCOUNT]4[/RINGCOUNT][HEAVYATOMCOUNT]35[/HEAVYATOMCOUNT][NUMAROMATICCARBOCYCLES]2[/NUMAROMATICCARBOCYCLES][TPSA]114.43[/TPSA][WEIGHT]494.16[/WEIGHT][NHOHCOUNT]2[/NHOHCOUNT][SAS]2.50[/SAS][CLOGP]4.58[/CLOGP][NUMAROMATICHETEROCYCLES]2[/NUMAROMATICHETEROCYCLES][NOCOUNT]9[/NOCOUNT][NUMROTATABLEBONDS]9[/NUMROTATABLEBONDS][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][FRACTIONCSP3]0.24[/FRACTIONCSP3][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMHDONORS]2[/NUMHDONORS][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMAROMATICRINGS]4[/NUMAROMATICRINGS][IUPAC]N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-5-methylbenzamide[/IUPAC][START_SMILES]COc1ccc(CCNC(=O)c2cc(C)ccc2Sc2n[nH]c(-c3ccoc3C)n2)cc1OC[END_SMILES]\n", + "GT: 0.31 Gen: 0.19 diff: 0.12 Cc1ccc(CSCCNC(=O)c2ccnc(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c2)cc1 [QED]0.31[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]10[/NUMHETEROATOMS][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][SAS]2.57[/SAS][RINGCOUNT]4[/RINGCOUNT][HEAVYATOMCOUNT]35[/HEAVYATOMCOUNT][NUMHACCEPTORS]8[/NUMHACCEPTORS][NHOHCOUNT]1[/NHOHCOUNT][NUMAROMATICCARBOCYCLES]2[/NUMAROMATICCARBOCYCLES][CLOGP]4.69[/CLOGP][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMAROMATICHETEROCYCLES]2[/NUMAROMATICHETEROCYCLES][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][WEIGHT]494.13[/WEIGHT][TPSA]108.05[/TPSA][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NOCOUNT]8[/NOCOUNT][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][NUMROTATABLEBONDS]9[/NUMROTATABLEBONDS][NUMHDONORS]1[/NUMHDONORS][FRACTIONCSP3]0.16[/FRACTIONCSP3][NUMAROMATICRINGS]4[/NUMAROMATICRINGS][IUPAC]N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-4-carboxamide[/IUPAC][START_SMILES]Cc1ccc(CSCCNC(=O)c2ccnc(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c2)cc1[END_SMILES]\n", + "GT: 0.32 Gen: 0.32 diff: 0.0 CCOc1ccc(-c2nnc(SCC(=O)Nc3cc(C)nn3-c3ccccc3)n2C(C)C)cc1C#N [QED]0.32[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]10[/NUMHETEROATOMS][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][SAS]2.57[/SAS][RINGCOUNT]4[/RINGCOUNT][HEAVYATOMCOUNT]35[/HEAVYATOMCOUNT][NUMHACCEPTORS]8[/NUMHACCEPTORS][NHOHCOUNT]1[/NHOHCOUNT][NUMAROMATICCARBOCYCLES]2[/NUMAROMATICCARBOCYCLES][CLOGP]4.69[/CLOGP][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMAROMATICHETEROCYCLES]2[/NUMAROMATICHETEROCYCLES][NOCOUNT]9[/NOCOUNT][NUMROTATABLEBONDS]9[/NUMROTATABLEBONDS][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMAROMATICRINGS]4[/NUMAROMATICRINGS][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][NUMHDONORS]1[/NUMHDONORS][FRACTIONCSP3]0.24[/FRACTIONCSP3][TPSA]107.23[/TPSA][WEIGHT]493.16[/WEIGHT][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][START_SMILES]CCOc1ccc(-c2nnc(SCC(=O)Nc3cc(C)nn3-c3ccccc3)n2C(C)C)cc1C#N[END_SMILES]\n", + "GT: 0.33 Gen: 0.31 diff: 0.02 CCn1c(SCC(=O)Nc2ncc(Cc3ccccc3Cl)s2)nnc1-c1ccccc1OC [QED]0.33[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]10[/NUMHETEROATOMS][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][SAS]2.57[/SAS][RINGCOUNT]4[/RINGCOUNT][HEAVYATOMCOUNT]34[/HEAVYATOMCOUNT][NUMHACCEPTORS]8[/NUMHACCEPTORS][NHOHCOUNT]1[/NHOHCOUNT][NUMAROMATICCARBOCYCLES]2[/NUMAROMATICCARBOCYCLES][CLOGP]4.69[/CLOGP][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMAROMATICHETEROCYCLES]2[/NUMAROMATICHETEROCYCLES][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][WEIGHT]496.11[/WEIGHT][NOCOUNT]8[/NOCOUNT][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][NUMROTATABLEBONDS]8[/NUMROTATABLEBONDS][FRACTIONCSP3]0.21[/FRACTIONCSP3][TPSA]99.25[/TPSA][NUMHDONORS]1[/NUMHDONORS][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NUMAROMATICRINGS]4[/NUMAROMATICRINGS][IUPAC]N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide[/IUPAC][START_SMILES]CCn1c(SCC(=O)Nc2ncc(Cc3ccccc3Cl)s2)nnc1-c1ccccc1OC[END_SMILES]\n", + "GT: 0.34 Gen: 0.24 diff: 0.1 CCOC(=O)c1c(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccccc2)sc(C)c1C [QED]0.34[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]10[/NUMHETEROATOMS][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][NUMAROMATICCARBOCYCLES]2[/NUMAROMATICCARBOCYCLES][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][SAS]2.57[/SAS][CLOGP]4.68[/CLOGP][RINGCOUNT]4[/RINGCOUNT][NUMAROMATICHETEROCYCLES]2[/NUMAROMATICHETEROCYCLES][WEIGHT]496.13[/WEIGHT][NHOHCOUNT]1[/NHOHCOUNT][TPSA]103.02[/TPSA][NUMHACCEPTORS]8[/NUMHACCEPTORS][NOCOUNT]8[/NOCOUNT][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][NUMROTATABLEBONDS]9[/NUMROTATABLEBONDS][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NUMAROMATICRINGS]4[/NUMAROMATICRINGS][NUMHDONORS]1[/NUMHDONORS][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][HEAVYATOMCOUNT]35[/HEAVYATOMCOUNT][FRACTIONCSP3]0.20[/FRACTIONCSP3][START_SMILES]CCOC(=O)c1c(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccccc2)sc(C)c1C[END_SMILES]\n", + "GT: 0.35000000000000003 Gen: 0.31 diff: 0.04 Cc1ccc(-n2c(SC(=O)C(=O)NCCc3ccc(Cl)cc3)nnc2-c2cccnc2)cc1C [QED]0.35[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]10[/NUMHETEROATOMS][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][SAS]2.47[/SAS][RINGCOUNT]4[/RINGCOUNT][HEAVYATOMCOUNT]33[/HEAVYATOMCOUNT][NUMHACCEPTORS]8[/NUMHACCEPTORS][NHOHCOUNT]1[/NHOHCOUNT][NUMAROMATICCARBOCYCLES]2[/NUMAROMATICCARBOCYCLES][CLOGP]4.29[/CLOGP][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMAROMATICHETEROCYCLES]2[/NUMAROMATICHETEROCYCLES][NOCOUNT]8[/NOCOUNT][NUMROTATABLEBONDS]8[/NUMROTATABLEBONDS][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][FRACTIONCSP3]0.17[/FRACTIONCSP3][WEIGHT]482.11[/WEIGHT][TPSA]99.00[/TPSA][NUMHDONORS]1[/NUMHDONORS][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NUMAROMATICRINGS]4[/NUMAROMATICRINGS][IUPAC]N-[2-(4-chlorophenyl)ethyl]-2-[[4-(3,4-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-2-oxoacetamide[/IUPAC][START_SMILES]Cc1ccc(-n2c(SC(=O)C(=O)NCCc3ccc(Cl)cc3)nnc2-c2cccnc2)cc1C[END_SMILES]\n", + "GT: 0.36 Gen: 0.35 diff: 0.01 COc1ccc(-c2nnc(Sc3ncccc3C(=O)NCCc3ccc(Cl)cc3)o2)c(OC)c1 [QED]0.36[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]10[/NUMHETEROATOMS][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][SAS]2.57[/SAS][RINGCOUNT]4[/RINGCOUNT][HEAVYATOMCOUNT]33[/HEAVYATOMCOUNT][NUMHACCEPTORS]8[/NUMHACCEPTORS][NHOHCOUNT]1[/NHOHCOUNT][NUMAROMATICCARBOCYCLES]2[/NUMAROMATICCARBOCYCLES][CLOGP]4.29[/CLOGP][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMAROMATICHETEROCYCLES]2[/NUMAROMATICHETEROCYCLES][NOCOUNT]8[/NOCOUNT][NUMROTATABLEBONDS]8[/NUMROTATABLEBONDS][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][FRACTIONCSP3]0.17[/FRACTIONCSP3][WEIGHT]482.11[/WEIGHT][TPSA]99.00[/TPSA][NUMHDONORS]1[/NUMHDONORS][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NUMAROMATICRINGS]4[/NUMAROMATICRINGS][IUPAC]N-[2-(4-chlorophenyl)ethyl]-2-[[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-3-carboxamide[/IUPAC][START_SMILES]COc1ccc(-c2nnc(Sc3ncccc3C(=O)NCCc3ccc(Cl)cc3)o2)c(OC)c1[END_SMILES]\n", + "GT: 0.37 Gen: 0.38 diff: 0.01 COc1ccc(CCNC(=O)c2cccnc2Sc2nnc(-c3ccccc3F)o2)cc1OC [QED]0.37[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]10[/NUMHETEROATOMS][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][SAS]2.56[/SAS][RINGCOUNT]4[/RINGCOUNT][HEAVYATOMCOUNT]33[/HEAVYATOMCOUNT][NUMHACCEPTORS]8[/NUMHACCEPTORS][NHOHCOUNT]1[/NHOHCOUNT][NUMAROMATICCARBOCYCLES]2[/NUMAROMATICCARBOCYCLES][CLOGP]4.29[/CLOGP][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMAROMATICHETEROCYCLES]2[/NUMAROMATICHETEROCYCLES][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][WEIGHT]466.13[/WEIGHT][TPSA]103.01[/TPSA][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NOCOUNT]8[/NOCOUNT][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][NUMROTATABLEBONDS]8[/NUMROTATABLEBONDS][NUMHDONORS]1[/NUMHDONORS][FRACTIONCSP3]0.17[/FRACTIONCSP3][NUMAROMATICRINGS]4[/NUMAROMATICRINGS][IUPAC]N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-3-carboxamide[/IUPAC][START_SMILES]COc1ccc(CCNC(=O)c2cccnc2Sc2nnc(-c3ccccc3F)o2)cc1OC[END_SMILES]\n", + "GT: 0.38 Gen: 0.51 diff: 0.13 COc1cc(N(C)CC(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc(OC)c1OC [QED]0.38[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]10[/NUMHETEROATOMS][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][NUMAROMATICCARBOCYCLES]2[/NUMAROMATICCARBOCYCLES][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][SAS]2.47[/SAS][CLOGP]4.59[/CLOGP][RINGCOUNT]3[/RINGCOUNT][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][WEIGHT]476.13[/WEIGHT][NHOHCOUNT]1[/NHOHCOUNT][TPSA]103.54[/TPSA][NUMHDONORS]1[/NUMHDONORS][NUMHACCEPTORS]7[/NUMHACCEPTORS][NOCOUNT]8[/NOCOUNT][NUMROTATABLEBONDS]10[/NUMROTATABLEBONDS][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][HEAVYATOMCOUNT]33[/HEAVYATOMCOUNT][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][FRACTIONCSP3]0.26[/FRACTIONCSP3][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMAROMATICRINGS]3[/NUMAROMATICRINGS][IUPAC]N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(3,4,5-trimethoxy-N-methylanilino)acetamide[/IUPAC][START_SMILES]COc1cc(N(C)CC(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc(OC)c1OC[END_SMILES]\n", + "GT: 0.39 Gen: 0.38 diff: 0.01 COc1ccc(CCNC(=O)c2cccnc2Sc2nnc(-c3ccccc3F)o2)cc1OC [QED]0.39[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]10[/NUMHETEROATOMS][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][SAS]2.57[/SAS][RINGCOUNT]4[/RINGCOUNT][HEAVYATOMCOUNT]33[/HEAVYATOMCOUNT][NUMHACCEPTORS]8[/NUMHACCEPTORS][NHOHCOUNT]1[/NHOHCOUNT][NUMAROMATICCARBOCYCLES]2[/NUMAROMATICCARBOCYCLES][CLOGP]4.06[/CLOGP][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMAROMATICHETEROCYCLES]2[/NUMAROMATICHETEROCYCLES][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][WEIGHT]466.13[/WEIGHT][TPSA]103.01[/TPSA][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NOCOUNT]8[/NOCOUNT][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][NUMROTATABLEBONDS]8[/NUMROTATABLEBONDS][NUMHDONORS]1[/NUMHDONORS][FRACTIONCSP3]0.17[/FRACTIONCSP3][NUMAROMATICRINGS]4[/NUMAROMATICRINGS][IUPAC]N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-3-carboxamide[/IUPAC][START_SMILES]COc1ccc(CCNC(=O)c2cccnc2Sc2nnc(-c3ccccc3F)o2)cc1OC[END_SMILES]\n", + "GT: 0.4 Gen: 0.43 diff: 0.03 COc1ccc(-c2cnc(SCC(=O)NCC(=O)NCc3ccccc3Cl)o2)cc1OC [QED]0.40[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]10[/NUMHETEROATOMS][NUMAROMATICCARBOCYCLES]2[/NUMAROMATICCARBOCYCLES][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][TPSA]102.96[/TPSA][WEIGHT]473.13[/WEIGHT][SAS]2.35[/SAS][CLOGP]4.08[/CLOGP][RINGCOUNT]3[/RINGCOUNT][NHOHCOUNT]2[/NHOHCOUNT][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][NUMHDONORS]2[/NUMHDONORS][NUMHACCEPTORS]6[/NUMHACCEPTORS][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NOCOUNT]8[/NOCOUNT][HEAVYATOMCOUNT]33[/HEAVYATOMCOUNT][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][NUMROTATABLEBONDS]9[/NUMROTATABLEBONDS][FRACTIONCSP3]0.22[/FRACTIONCSP3][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMAROMATICRINGS]3[/NUMAROMATICRINGS][IUPAC]N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-2-[[5-(3,4-dimethoxyphenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide[/IUPAC][START_SMILES]COc1ccc(-c2cnc(SCC(=O)NCC(=O)NCc3ccccc3Cl)o2)cc1OC[END_SMILES]\n", + "GT: 0.41000000000000003 Gen: 0.38 diff: 0.03 CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NN=Cc2cc(C)n(-c3ccccc3)c2C)cc1 [QED]0.41[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]10[/NUMHETEROATOMS][NUMAROMATICCARBOCYCLES]2[/NUMAROMATICCARBOCYCLES][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][SAS]2.37[/SAS][TPSA]115.28[/TPSA][START_SMILES]CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NN=Cc2cc(C)n(-c3ccccc3)c2C)cc1[END_SMILES]\n", + "GT: 0.42 Gen: 0.39 diff: 0.03 COc1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2Nc2cc(C)on2)cc1OC [QED]0.42[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]10[/NUMHETEROATOMS][NUMHACCEPTORS]7[/NUMHACCEPTORS][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][RINGCOUNT]3[/RINGCOUNT][HEAVYATOMCOUNT]31[/HEAVYATOMCOUNT][NUMAROMATICCARBOCYCLES]2[/NUMAROMATICCARBOCYCLES][TPSA]115.56[/TPSA][WEIGHT]443.13[/WEIGHT][NHOHCOUNT]2[/NHOHCOUNT][CLOGP]3.28[/CLOGP][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][SAS]2.29[/SAS][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMHDONORS]2[/NUMHDONORS][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NOCOUNT]9[/NOCOUNT][NUMROTATABLEBONDS]9[/NUMROTATABLEBONDS][FRACTIONCSP3]0.24[/FRACTIONCSP3][NUMAROMATICRINGS]3[/NUMAROMATICRINGS][IUPAC]N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]-5-nitrobenzamide[/IUPAC][START_SMILES]COc1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2Nc2cc(C)on2)cc1OC[END_SMILES]\n", + "GT: 0.43 Gen: 0.43 diff: 0.0 COc1ccc(-c2cnc(SCC(=O)NCC(=O)NCc3ccccc3Cl)o2)cc1OC [QED]0.43[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]10[/NUMHETEROATOMS][NUMAROMATICCARBOCYCLES]2[/NUMAROMATICCARBOCYCLES][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][TPSA]102.96[/TPSA][WEIGHT]473.13[/WEIGHT][SAS]2.35[/SAS][CLOGP]3.89[/CLOGP][RINGCOUNT]3[/RINGCOUNT][NHOHCOUNT]2[/NHOHCOUNT][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][NUMHDONORS]2[/NUMHDONORS][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NUMHACCEPTORS]6[/NUMHACCEPTORS][NOCOUNT]8[/NOCOUNT][HEAVYATOMCOUNT]33[/HEAVYATOMCOUNT][NUMROTATABLEBONDS]9[/NUMROTATABLEBONDS][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][FRACTIONCSP3]0.22[/FRACTIONCSP3][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMAROMATICRINGS]3[/NUMAROMATICRINGS][IUPAC]N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-2-[[5-(3,4-dimethoxyphenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide[/IUPAC][START_SMILES]COc1ccc(-c2cnc(SCC(=O)NCC(=O)NCc3ccccc3Cl)o2)cc1OC[END_SMILES]\n", + "GT: 0.44 Gen: 0.52 diff: 0.08 CCc1nccn1CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2OC)cc1 [QED]0.44[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]10[/NUMHETEROATOMS][NUMHACCEPTORS]7[/NUMHACCEPTORS][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][RINGCOUNT]3[/RINGCOUNT][HEAVYATOMCOUNT]32[/HEAVYATOMCOUNT][NUMAROMATICCARBOCYCLES]2[/NUMAROMATICCARBOCYCLES][TPSA]115.29[/TPSA][WEIGHT]457.13[/WEIGHT][NHOHCOUNT]2[/NHOHCOUNT][NUMROTATABLEBONDS]9[/NUMROTATABLEBONDS][CLOGP]3.68[/CLOGP][SAS]2.27[/SAS][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NOCOUNT]9[/NOCOUNT][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][FRACTIONCSP3]0.23[/FRACTIONCSP3][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMHDONORS]2[/NUMHDONORS][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMAROMATICRINGS]3[/NUMAROMATICRINGS][IUPAC]N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-2-(2-ethylimidazol-1-yl)acetamide[/IUPAC][START_SMILES]CCc1nccn1CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2OC)cc1[END_SMILES]\n", + "GT: 0.45 Gen: 0.43 diff: 0.02 COc1ccc(-c2cnc(SCC(=O)NCC(=O)NCc3ccccc3Cl)o2)cc1OC [QED]0.45[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]10[/NUMHETEROATOMS][NUMAROMATICCARBOCYCLES]2[/NUMAROMATICCARBOCYCLES][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][TPSA]102.96[/TPSA][WEIGHT]473.13[/WEIGHT][SAS]2.38[/SAS][CLOGP]3.89[/CLOGP][RINGCOUNT]3[/RINGCOUNT][NHOHCOUNT]2[/NHOHCOUNT][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][NUMHDONORS]2[/NUMHDONORS][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NUMHACCEPTORS]6[/NUMHACCEPTORS][NOCOUNT]8[/NOCOUNT][HEAVYATOMCOUNT]33[/HEAVYATOMCOUNT][NUMROTATABLEBONDS]9[/NUMROTATABLEBONDS][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][FRACTIONCSP3]0.22[/FRACTIONCSP3][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMAROMATICRINGS]3[/NUMAROMATICRINGS][IUPAC]N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-2-[[5-(3,4-dimethoxyphenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide[/IUPAC][START_SMILES]COc1ccc(-c2cnc(SCC(=O)NCC(=O)NCc3ccccc3Cl)o2)cc1OC[END_SMILES]\n", + "GT: 0.46 Gen: 0.48 diff: 0.02 COc1ccc(-c2cnc(SC(C)(C)C(=O)NCC(=O)NCc3ccccc3F)o2)cc1 [QED]0.46[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]10[/NUMHETEROATOMS][NUMAROMATICCARBOCYCLES]2[/NUMAROMATICCARBOCYCLES][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][SAS]2.37[/SAS][TPSA]110.57[/TPSA][CLOGP]3.89[/CLOGP][RINGCOUNT]3[/RINGCOUNT][WEIGHT]473.13[/WEIGHT][NHOHCOUNT]2[/NHOHCOUNT][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][NUMHDONORS]2[/NUMHDONORS][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NUMHACCEPTORS]6[/NUMHACCEPTORS][NOCOUNT]8[/NOCOUNT][HEAVYATOMCOUNT]33[/HEAVYATOMCOUNT][NUMROTATABLEBONDS]9[/NUMROTATABLEBONDS][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][FRACTIONCSP3]0.22[/FRACTIONCSP3][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMAROMATICRINGS]3[/NUMAROMATICRINGS][IUPAC]N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]sulfanyl]-2-methylpropanamide[/IUPAC][START_SMILES]COc1ccc(-c2cnc(SC(C)(C)C(=O)NCC(=O)NCc3ccccc3F)o2)cc1[END_SMILES]\n", + "GT: 0.47000000000000003 Gen: 0.43 diff: 0.04 COc1ccc(-c2cnc(SCC(=O)NCC(=O)NCc3ccccc3Cl)o2)cc1OC [QED]0.47[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]10[/NUMHETEROATOMS][NUMAROMATICCARBOCYCLES]2[/NUMAROMATICCARBOCYCLES][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][TPSA]102.96[/TPSA][WEIGHT]473.13[/WEIGHT][SAS]2.35[/SAS][CLOGP]3.85[/CLOGP][RINGCOUNT]3[/RINGCOUNT][NHOHCOUNT]2[/NHOHCOUNT][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][NUMHDONORS]2[/NUMHDONORS][NUMHACCEPTORS]6[/NUMHACCEPTORS][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NOCOUNT]8[/NOCOUNT][HEAVYATOMCOUNT]33[/HEAVYATOMCOUNT][NUMROTATABLEBONDS]9[/NUMROTATABLEBONDS][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][FRACTIONCSP3]0.22[/FRACTIONCSP3][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMAROMATICRINGS]3[/NUMAROMATICRINGS][IUPAC]N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-2-[[5-(3,4-dimethoxyphenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide[/IUPAC][START_SMILES]COc1ccc(-c2cnc(SCC(=O)NCC(=O)NCc3ccccc3Cl)o2)cc1OC[END_SMILES]\n", + "GT: 0.48 Gen: 0.5 diff: 0.02 COc1ccc(C(=O)N(CCO)CC(=O)NCc2ccccc2Cl)cc1-c1c(C)noc1C [QED]0.48[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]10[/NUMHETEROATOMS][NUMAROMATICCARBOCYCLES]2[/NUMAROMATICCARBOCYCLES][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][TPSA]102.96[/TPSA][WEIGHT]473.13[/WEIGHT][SAS]2.35[/SAS][CLOGP]3.83[/CLOGP][RINGCOUNT]3[/RINGCOUNT][NHOHCOUNT]2[/NHOHCOUNT][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][NUMHDONORS]2[/NUMHDONORS][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NUMHACCEPTORS]6[/NUMHACCEPTORS][NOCOUNT]8[/NOCOUNT][HEAVYATOMCOUNT]33[/HEAVYATOMCOUNT][NUMROTATABLEBONDS]9[/NUMROTATABLEBONDS][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][FRACTIONCSP3]0.26[/FRACTIONCSP3][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMAROMATICRINGS]3[/NUMAROMATICRINGS][IUPAC]N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxyethyl)-4-methoxybenzamide[/IUPAC][START_SMILES]COc1ccc(C(=O)N(CCO)CC(=O)NCc2ccccc2Cl)cc1-c1c(C)noc1C[END_SMILES]\n", + "GT: 0.49 Gen: 0.51 diff: 0.02 CCc1nnc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)o1 [QED]0.49[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]10[/NUMHETEROATOMS][NUMAROMATICCARBOCYCLES]2[/NUMAROMATICCARBOCYCLES][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][SAS]2.37[/SAS][TPSA]110.57[/TPSA][CLOGP]3.68[/CLOGP][RINGCOUNT]3[/RINGCOUNT][WEIGHT]447.13[/WEIGHT][NHOHCOUNT]2[/NHOHCOUNT][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][NUMHDONORS]2[/NUMHDONORS][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NUMHACCEPTORS]6[/NUMHACCEPTORS][NOCOUNT]8[/NOCOUNT][HEAVYATOMCOUNT]31[/HEAVYATOMCOUNT][NUMROTATABLEBONDS]8[/NUMROTATABLEBONDS][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][FRACTIONCSP3]0.24[/FRACTIONCSP3][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMAROMATICRINGS]3[/NUMAROMATICRINGS][IUPAC]N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide[/IUPAC][START_SMILES]CCc1nnc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)o1[END_SMILES]\n", + "GT: 0.5 Gen: 0.35 diff: 0.15 COc1ccc(C(=O)CSc2nccn2-c2cccc(C)c2C)cc1NC=O [QED]0.50[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]6[/NUMHETEROATOMS][HEAVYATOMCOUNT]27[/HEAVYATOMCOUNT][RINGCOUNT]3[/RINGCOUNT][NHOHCOUNT]1[/NHOHCOUNT][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][NUMHACCEPTORS]5[/NUMHACCEPTORS][NUMAROMATICCARBOCYCLES]2[/NUMAROMATICCARBOCYCLES][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMROTATABLEBONDS]7[/NUMROTATABLEBONDS][CLOGP]4.28[/CLOGP][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][SAS]2.11[/SAS][NOCOUNT]5[/NOCOUNT][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][FRACTIONCSP3]0.19[/FRACTIONCSP3][WEIGHT]381.12[/WEIGHT][START_SMILES]COc1ccc(C(=O)CSc2nccn2-c2cccc(C)c2C)cc1NC=O[END_SMILES]\n", + "GT: 0.51 Gen: 0.63 diff: 0.12 CCOc1ccc(C=CC(=O)Nc2ccccc2-c2nc(CC)no2)cc1 [QED]0.51[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]6[/NUMHETEROATOMS][NUMAROMATICCARBOCYCLES]2[/NUMAROMATICCARBOCYCLES][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][CLOGP]4.37[/CLOGP][RINGCOUNT]3[/RINGCOUNT][SAS]2.29[/SAS][HEAVYATOMCOUNT]28[/HEAVYATOMCOUNT][NUMHACCEPTORS]5[/NUMHACCEPTORS][WEIGHT]379.17[/WEIGHT][NHOHCOUNT]1[/NHOHCOUNT][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][NOCOUNT]6[/NOCOUNT][NUMROTATABLEBONDS]8[/NUMROTATABLEBONDS][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][NUMHDONORS]1[/NUMHDONORS][TPSA]73.34[/TPSA][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][FRACTIONCSP3]0.23[/FRACTIONCSP3][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NUMAROMATICRINGS]3[/NUMAROMATICRINGS][START_SMILES]CCOc1ccc(C=CC(=O)Nc2ccccc2-c2nc(CC)no2)cc1[END_SMILES]\n", + "GT: 0.52 Gen: 0.54 diff: 0.02 CC(C)c1ccc(C=NNC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cc1 [QED]0.52[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]6[/NUMHETEROATOMS][HEAVYATOMCOUNT]27[/HEAVYATOMCOUNT][RINGCOUNT]3[/RINGCOUNT][NUMAROMATICCARBOCYCLES]2[/NUMAROMATICCARBOCYCLES][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][SAS]2.19[/SAS][CLOGP]4.58[/CLOGP][START_SMILES]CC(C)c1ccc(C=NNC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cc1[END_SMILES]\n", + "GT: 0.53 Gen: 0.67 diff: 0.14 COc1ccc(C(=O)NCCc2csc(-c3cccc(C)c3)n2)cc1OC [QED]0.53[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]6[/NUMHETEROATOMS][HEAVYATOMCOUNT]27[/HEAVYATOMCOUNT][RINGCOUNT]3[/RINGCOUNT][NHOHCOUNT]1[/NHOHCOUNT][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][NUMHACCEPTORS]5[/NUMHACCEPTORS][NUMAROMATICCARBOCYCLES]2[/NUMAROMATICCARBOCYCLES][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMROTATABLEBONDS]7[/NUMROTATABLEBONDS][CLOGP]4.18[/CLOGP][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][SAS]2.11[/SAS][NOCOUNT]5[/NOCOUNT][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][FRACTIONCSP3]0.19[/FRACTIONCSP3][WEIGHT]381.12[/WEIGHT][START_SMILES]COc1ccc(C(=O)NCCc2csc(-c3cccc(C)c3)n2)cc1OC[END_SMILES]\n", + "GT: 0.54 Gen: 0.47 diff: 0.07 CC(C)(C)OC(=O)C(=O)Nc1ccc(I)cc1C#N [QED]0.54[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]6[/NUMHETEROATOMS][NUMAROMATICCARBOCYCLES]1[/NUMAROMATICCARBOCYCLES][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][SAS]2.39[/SAS][RINGCOUNT]1[/RINGCOUNT][HEAVYATOMCOUNT]18[/HEAVYATOMCOUNT][CLOGP]2.17[/CLOGP][START_SMILES]CC(C)(C)OC(=O)C(=O)Nc1ccc(I)cc1C#N[END_SMILES]\n", + "GT: 0.55 Gen: 0.65 diff: 0.1 CCOC(=O)c1c(C)[nH]c(C(=O)C(C)Oc2ccccc2)c1C [QED]0.55[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]6[/NUMHETEROATOMS][NUMAROMATICCARBOCYCLES]1[/NUMAROMATICCARBOCYCLES][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][CLOGP]3.27[/CLOGP][RINGCOUNT]2[/RINGCOUNT][SAS]2.49[/SAS][HEAVYATOMCOUNT]21[/HEAVYATOMCOUNT][WEIGHT]308.10[/WEIGHT][NUMHACCEPTORS]5[/NUMHACCEPTORS][NHOHCOUNT]1[/NHOHCOUNT][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][NUMHDONORS]1[/NUMHDONORS][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NOCOUNT]5[/NOCOUNT][NUMROTATABLEBONDS]6[/NUMROTATABLEBONDS][NUMAROMATICRINGS]2[/NUMAROMATICRINGS][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][FRACTIONCSP3]0.33[/FRACTIONCSP3][TPSA]64.36[/TPSA][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][START_SMILES]CCOC(=O)c1c(C)[nH]c(C(=O)C(C)Oc2ccccc2)c1C[END_SMILES]\n", + "GT: 0.56 Gen: 0.58 diff: 0.02 COc1ccc(C=CC(=O)Nc2cc(C)nn2Cc2ccccc2Cl)cc1OC [QED]0.56[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]7[/NUMHETEROATOMS][NUMAROMATICCARBOCYCLES]2[/NUMAROMATICCARBOCYCLES][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][CLOGP]4.13[/CLOGP][RINGCOUNT]3[/RINGCOUNT][SAS]2.29[/SAS][HEAVYATOMCOUNT]28[/HEAVYATOMCOUNT][NUMHACCEPTORS]5[/NUMHACCEPTORS][WEIGHT]396.13[/WEIGHT][NHOHCOUNT]1[/NHOHCOUNT][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][NOCOUNT]6[/NOCOUNT][NUMROTATABLEBONDS]7[/NUMROTATABLEBONDS][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][NUMHDONORS]1[/NUMHDONORS][TPSA]73.22[/TPSA][FRACTIONCSP3]0.19[/FRACTIONCSP3][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NUMAROMATICRINGS]3[/NUMAROMATICRINGS][START_SMILES]COc1ccc(C=CC(=O)Nc2cc(C)nn2Cc2ccccc2Cl)cc1OC[END_SMILES]\n", + "GT: 0.5700000000000001 Gen: 0.65 diff: 0.08 CCOC(=O)c1c(C)[nH]c(C(=O)C(C)Oc2ccccc2)c1C [QED]0.57[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]6[/NUMHETEROATOMS][NUMAROMATICCARBOCYCLES]1[/NUMAROMATICCARBOCYCLES][CLOGP]3.28[/CLOGP][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][RINGCOUNT]2[/RINGCOUNT][SAS]2.49[/SAS][HEAVYATOMCOUNT]21[/HEAVYATOMCOUNT][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][NUMHACCEPTORS]5[/NUMHACCEPTORS][WEIGHT]306.10[/WEIGHT][NHOHCOUNT]1[/NHOHCOUNT][NUMHDONORS]1[/NUMHDONORS][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NOCOUNT]5[/NOCOUNT][NUMROTATABLEBONDS]6[/NUMROTATABLEBONDS][NUMAROMATICRINGS]2[/NUMAROMATICRINGS][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][FRACTIONCSP3]0.33[/FRACTIONCSP3][TPSA]64.36[/TPSA][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][START_SMILES]CCOC(=O)c1c(C)[nH]c(C(=O)C(C)Oc2ccccc2)c1C[END_SMILES]\n", + "GT: 0.58 Gen: 0.68 diff: 0.1 CC(C)c1ccc(C=NNC(=O)Cc2ccc(Cl)cc2)o1 [QED]0.58[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]6[/NUMHETEROATOMS][HEAVYATOMCOUNT]21[/HEAVYATOMCOUNT][RINGCOUNT]2[/RINGCOUNT][NUMHACCEPTORS]4[/NUMHACCEPTORS][NHOHCOUNT]1[/NHOHCOUNT][NUMAROMATICCARBOCYCLES]1[/NUMAROMATICCARBOCYCLES][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMROTATABLEBONDS]5[/NUMROTATABLEBONDS][CLOGP]3.79[/CLOGP][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][SAS]2.29[/SAS][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMHDONORS]1[/NUMHDONORS][NOCOUNT]5[/NOCOUNT][NUMAROMATICRINGS]2[/NUMAROMATICRINGS][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][FRACTIONCSP3]0.27[/FRACTIONCSP3][WEIGHT]305.09[/WEIGHT][TPSA]68.06[/TPSA][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][START_SMILES]CC(C)c1ccc(C=NNC(=O)Cc2ccc(Cl)cc2)o1[END_SMILES]\n", + "GT: 0.59 Gen: 0.65 diff: 0.06 CCOC(=O)c1c(C)[nH]c(C(=O)C(C)Oc2ccccc2)c1C [QED]0.59[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]6[/NUMHETEROATOMS][NUMAROMATICCARBOCYCLES]1[/NUMAROMATICCARBOCYCLES][CLOGP]3.27[/CLOGP][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][RINGCOUNT]2[/RINGCOUNT][SAS]2.48[/SAS][HEAVYATOMCOUNT]21[/HEAVYATOMCOUNT][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][NUMHACCEPTORS]5[/NUMHACCEPTORS][WEIGHT]306.10[/WEIGHT][NHOHCOUNT]1[/NHOHCOUNT][NOCOUNT]5[/NOCOUNT][NUMROTATABLEBONDS]6[/NUMROTATABLEBONDS][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][NUMHDONORS]1[/NUMHDONORS][TPSA]64.36[/TPSA][FRACTIONCSP3]0.33[/FRACTIONCSP3][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NUMAROMATICRINGS]2[/NUMAROMATICRINGS][START_SMILES]CCOC(=O)c1c(C)[nH]c(C(=O)C(C)Oc2ccccc2)c1C[END_SMILES]\n", + "GT: 0.6 Gen: 0.79 diff: 0.19 CCCC(C)NC(=O)COC(=O)Cc1ccccc1Cl [QED]0.60[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]5[/NUMHETEROATOMS][NUMAROMATICCARBOCYCLES]1[/NUMAROMATICCARBOCYCLES][CLOGP]2.78[/CLOGP][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][RINGCOUNT]1[/RINGCOUNT][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][SAS]2.34[/SAS][HEAVYATOMCOUNT]19[/HEAVYATOMCOUNT][NUMAROMATICHETEROCYCLES]0[/NUMAROMATICHETEROCYCLES][NUMHACCEPTORS]3[/NUMHACCEPTORS][WEIGHT]283.12[/WEIGHT][NHOHCOUNT]1[/NHOHCOUNT][NOCOUNT]4[/NOCOUNT][NUMHDONORS]1[/NUMHDONORS][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMROTATABLEBONDS]7[/NUMROTATABLEBONDS][NUMAROMATICRINGS]1[/NUMAROMATICRINGS][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][TPSA]55.40[/TPSA][FRACTIONCSP3]0.50[/FRACTIONCSP3][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][START_SMILES]CCCC(C)NC(=O)COC(=O)Cc1ccccc1Cl[END_SMILES]\n", + "GT: 0.61 Gen: 0.59 diff: 0.02 CCOC(=O)C(C)(C)C(=O)COc1cccc(F)c1 [QED]0.61[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]5[/NUMHETEROATOMS][NUMAROMATICCARBOCYCLES]1[/NUMAROMATICCARBOCYCLES][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][CLOGP]2.78[/CLOGP][RINGCOUNT]1[/RINGCOUNT][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][SAS]2.34[/SAS][WEIGHT]266.12[/WEIGHT][NHOHCOUNT]0[/NHOHCOUNT][NUMHDONORS]0[/NUMHDONORS][NUMAROMATICHETEROCYCLES]0[/NUMAROMATICHETEROCYCLES][TPSA]52.60[/TPSA][NUMHACCEPTORS]4[/NUMHACCEPTORS][NOCOUNT]4[/NOCOUNT][NUMROTATABLEBONDS]6[/NUMROTATABLEBONDS][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][HEAVYATOMCOUNT]19[/HEAVYATOMCOUNT][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMAROMATICRINGS]1[/NUMAROMATICRINGS][FRACTIONCSP3]0.43[/FRACTIONCSP3][START_SMILES]CCOC(=O)C(C)(C)C(=O)COc1cccc(F)c1[END_SMILES]\n", + "GT: 0.62 Gen: 0.61 diff: 0.01 CC(=O)NC(CC(=O)c1ccccc1)C(=O)S [QED]0.62[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]5[/NUMHETEROATOMS][NUMAROMATICCARBOCYCLES]1[/NUMAROMATICCARBOCYCLES][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][RINGCOUNT]1[/RINGCOUNT][NUMROTATABLEBONDS]5[/NUMROTATABLEBONDS][SAS]2.37[/SAS][NHOHCOUNT]2[/NHOHCOUNT][CLOGP]1.89[/CLOGP][NUMHDONORS]2[/NUMHDONORS][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMAROMATICHETEROCYCLES]0[/NUMAROMATICHETEROCYCLES][NUMHACCEPTORS]3[/NUMHACCEPTORS][HEAVYATOMCOUNT]17[/HEAVYATOMCOUNT][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NOCOUNT]4[/NOCOUNT][NUMAROMATICRINGS]1[/NUMAROMATICRINGS][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][WEIGHT]255.08[/WEIGHT][TPSA]66.40[/TPSA][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][FRACTIONCSP3]0.33[/FRACTIONCSP3][START_SMILES]CC(=O)NC(CC(=O)c1ccccc1)C(=O)S[END_SMILES]\n", + "GT: 0.63 Gen: 0.64 diff: 0.01 CCOC(=O)C(C)=CCNC(=O)Cc1ccccc1F [QED]0.63[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]5[/NUMHETEROATOMS][NUMAROMATICCARBOCYCLES]1[/NUMAROMATICCARBOCYCLES][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][CLOGP]2.78[/CLOGP][RINGCOUNT]1[/RINGCOUNT][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][SAS]2.49[/SAS][WEIGHT]267.12[/WEIGHT][NHOHCOUNT]1[/NHOHCOUNT][NUMHDONORS]1[/NUMHDONORS][NUMAROMATICHETEROCYCLES]0[/NUMAROMATICHETEROCYCLES][TPSA]55.40[/TPSA][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NUMHACCEPTORS]3[/NUMHACCEPTORS][NOCOUNT]4[/NOCOUNT][HEAVYATOMCOUNT]19[/HEAVYATOMCOUNT][NUMROTATABLEBONDS]6[/NUMROTATABLEBONDS][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][NUMAROMATICRINGS]1[/NUMAROMATICRINGS][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][FRACTIONCSP3]0.36[/FRACTIONCSP3][START_SMILES]CCOC(=O)C(C)=CCNC(=O)Cc1ccccc1F[END_SMILES]\n", + "GT: 0.64 Gen: 0.78 diff: 0.14 CCCOc1cccc(OCCC(F)C(=O)O)c1 [QED]0.64[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]5[/NUMHETEROATOMS][NUMAROMATICCARBOCYCLES]1[/NUMAROMATICCARBOCYCLES][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][CLOGP]2.78[/CLOGP][RINGCOUNT]1[/RINGCOUNT][SAS]2.39[/SAS][NHOHCOUNT]1[/NHOHCOUNT][NUMHDONORS]1[/NUMHDONORS][HEAVYATOMCOUNT]18[/HEAVYATOMCOUNT][NUMAROMATICHETEROCYCLES]0[/NUMAROMATICHETEROCYCLES][NUMHACCEPTORS]3[/NUMHACCEPTORS][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][WEIGHT]253.12[/WEIGHT][TPSA]55.76[/TPSA][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NOCOUNT]4[/NOCOUNT][NUMROTATABLEBONDS]7[/NUMROTATABLEBONDS][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][FRACTIONCSP3]0.46[/FRACTIONCSP3][NUMAROMATICRINGS]1[/NUMAROMATICRINGS][IUPAC]2-fluoro-4-(3-propoxyphenoxy)butanoic acid[/IUPAC][START_SMILES]CCCOc1cccc(OCCC(F)C(=O)O)c1[END_SMILES]\n", + "GT: 0.65 Gen: 0.63 diff: 0.02 CC(C)(CNC(=O)CS)C(=O)c1ccccc1F [QED]0.65[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]5[/NUMHETEROATOMS][NUMAROMATICCARBOCYCLES]1[/NUMAROMATICCARBOCYCLES][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][RINGCOUNT]1[/RINGCOUNT][NUMROTATABLEBONDS]5[/NUMROTATABLEBONDS][SAS]2.37[/SAS][NHOHCOUNT]2[/NHOHCOUNT][CLOGP]1.89[/CLOGP][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMHDONORS]2[/NUMHDONORS][NUMAROMATICHETEROCYCLES]0[/NUMAROMATICHETEROCYCLES][NUMHACCEPTORS]3[/NUMHACCEPTORS][HEAVYATOMCOUNT]17[/HEAVYATOMCOUNT][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][WEIGHT]255.08[/WEIGHT][TPSA]66.40[/TPSA][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NOCOUNT]4[/NOCOUNT][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][NUMAROMATICRINGS]1[/NUMAROMATICRINGS][FRACTIONCSP3]0.33[/FRACTIONCSP3][START_SMILES]CC(C)(CNC(=O)CS)C(=O)c1ccccc1F[END_SMILES]\n", + "GT: 0.66 Gen: 0.62 diff: 0.04 CCOC(=O)C(C)NC(=O)CCSc1ccccc1C [QED]0.66[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]5[/NUMHETEROATOMS][NUMAROMATICCARBOCYCLES]1[/NUMAROMATICCARBOCYCLES][CLOGP]2.87[/CLOGP][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][RINGCOUNT]1[/RINGCOUNT][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NUMAROMATICHETEROCYCLES]0[/NUMAROMATICHETEROCYCLES][SAS]2.39[/SAS][HEAVYATOMCOUNT]19[/HEAVYATOMCOUNT][NUMHDONORS]1[/NUMHDONORS][NUMHACCEPTORS]3[/NUMHACCEPTORS][NOCOUNT]4[/NOCOUNT][NHOHCOUNT]1[/NHOHCOUNT][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMROTATABLEBONDS]7[/NUMROTATABLEBONDS][NUMAROMATICRINGS]1[/NUMAROMATICRINGS][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][WEIGHT]283.11[/WEIGHT][TPSA]55.40[/TPSA][FRACTIONCSP3]0.43[/FRACTIONCSP3][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][START_SMILES]CCOC(=O)C(C)NC(=O)CCSc1ccccc1C[END_SMILES]\n", + "GT: 0.67 Gen: 0.78 diff: 0.11 CCCC(C)NC(=O)COC(=O)Cc1ccccc1F [QED]0.67[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]5[/NUMHETEROATOMS][NUMAROMATICCARBOCYCLES]1[/NUMAROMATICCARBOCYCLES][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][CLOGP]2.83[/CLOGP][RINGCOUNT]1[/RINGCOUNT][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][SAS]2.49[/SAS][WEIGHT]281.16[/WEIGHT][NHOHCOUNT]1[/NHOHCOUNT][NUMHDONORS]1[/NUMHDONORS][NUMAROMATICHETEROCYCLES]0[/NUMAROMATICHETEROCYCLES][TPSA]55.40[/TPSA][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NUMHACCEPTORS]3[/NUMHACCEPTORS][NOCOUNT]4[/NOCOUNT][HEAVYATOMCOUNT]20[/HEAVYATOMCOUNT][NUMROTATABLEBONDS]8[/NUMROTATABLEBONDS][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][NUMAROMATICRINGS]1[/NUMAROMATICRINGS][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][FRACTIONCSP3]0.53[/FRACTIONCSP3][START_SMILES]CCCC(C)NC(=O)COC(=O)Cc1ccccc1F[END_SMILES]\n", + "GT: 0.68 Gen: 0.79 diff: 0.11 CCc1nc(Oc2ccc(Cl)cc2C)oc1C=O [QED]0.68[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]5[/NUMHETEROATOMS][NUMAROMATICCARBOCYCLES]1[/NUMAROMATICCARBOCYCLES][CLOGP]3.27[/CLOGP][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][RINGCOUNT]2[/RINGCOUNT][NUMROTATABLEBONDS]4[/NUMROTATABLEBONDS][SAS]2.29[/SAS][NHOHCOUNT]0[/NHOHCOUNT][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMHDONORS]0[/NUMHDONORS][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][TPSA]52.08[/TPSA][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][WEIGHT]264.06[/WEIGHT][NUMHACCEPTORS]4[/NUMHACCEPTORS][NOCOUNT]4[/NOCOUNT][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][HEAVYATOMCOUNT]18[/HEAVYATOMCOUNT][FRACTIONCSP3]0.23[/FRACTIONCSP3][NUMAROMATICRINGS]2[/NUMAROMATICRINGS][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][IUPAC]2-(4-chloro-2-methylphenoxy)-4-ethyl-1,3-oxazole-5-carbaldehyde[/IUPAC][START_SMILES]CCc1nc(Oc2ccc(Cl)cc2C)oc1C=O[END_SMILES]\n", + "GT: 0.6900000000000001 Gen: 0.46 diff: 0.23 COCCNC(=O)CNC(=S)C(C)=Cc1ccccc1 [QED]0.69[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]5[/NUMHETEROATOMS][NUMAROMATICCARBOCYCLES]1[/NUMAROMATICCARBOCYCLES][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][RINGCOUNT]1[/RINGCOUNT][NUMROTATABLEBONDS]7[/NUMROTATABLEBONDS][NHOHCOUNT]2[/NHOHCOUNT][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][SAS]2.34[/SAS][CLOGP]1.85[/CLOGP][NUMHDONORS]2[/NUMHDONORS][NUMAROMATICHETEROCYCLES]0[/NUMAROMATICHETEROCYCLES][TPSA]67.43[/TPSA][WEIGHT]266.15[/WEIGHT][NUMHACCEPTORS]3[/NUMHACCEPTORS][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NOCOUNT]5[/NOCOUNT][HEAVYATOMCOUNT]19[/HEAVYATOMCOUNT][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMAROMATICRINGS]1[/NUMAROMATICRINGS][FRACTIONCSP3]0.43[/FRACTIONCSP3][IUPAC]N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-methyl-3-phenylprop-2-enethioamide[/IUPAC][START_SMILES]COCCNC(=O)CNC(=S)C(C)=Cc1ccccc1[END_SMILES]\n", + "GT: 0.7000000000000001 Gen: 0.71 diff: 0.01 CCc1ccc(C(=O)CCCS(=O)(=O)NC(C)CC)cc1 [QED]0.70[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]5[/NUMHETEROATOMS][NUMAROMATICCARBOCYCLES]1[/NUMAROMATICCARBOCYCLES][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][CLOGP]3.26[/CLOGP][RINGCOUNT]1[/RINGCOUNT][NUMROTATABLEBONDS]8[/NUMROTATABLEBONDS][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][SAS]2.49[/SAS][NHOHCOUNT]1[/NHOHCOUNT][NUMHDONORS]1[/NUMHDONORS][NUMAROMATICHETEROCYCLES]0[/NUMAROMATICHETEROCYCLES][TPSA]55.40[/TPSA][WEIGHT]311.14[/WEIGHT][NUMHACCEPTORS]3[/NUMHACCEPTORS][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NOCOUNT]4[/NOCOUNT][HEAVYATOMCOUNT]21[/HEAVYATOMCOUNT][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMAROMATICRINGS]1[/NUMAROMATICRINGS][FRACTIONCSP3]0.50[/FRACTIONCSP3][IUPAC]N-[(2S)-butan-2-yl]-4-(4-ethylphenyl)-4-oxobutane-1-sulfonamide[/IUPAC][START_SMILES]CCc1ccc(C(=O)CCCS(=O)(=O)NC(C)CC)cc1[END_SMILES]\n", + "GT: 0.71 Gen: 0.71 diff: 0.0 CCc1ccc(C(=O)CCCS(=O)(=O)NC(C)CC)cc1 [QED]0.71[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]5[/NUMHETEROATOMS][NUMAROMATICCARBOCYCLES]1[/NUMAROMATICCARBOCYCLES][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][CLOGP]3.26[/CLOGP][RINGCOUNT]1[/RINGCOUNT][NUMROTATABLEBONDS]8[/NUMROTATABLEBONDS][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][SAS]2.49[/SAS][NHOHCOUNT]1[/NHOHCOUNT][NUMHDONORS]1[/NUMHDONORS][NUMAROMATICHETEROCYCLES]0[/NUMAROMATICHETEROCYCLES][TPSA]55.40[/TPSA][WEIGHT]311.14[/WEIGHT][NUMHACCEPTORS]3[/NUMHACCEPTORS][NOCOUNT]4[/NOCOUNT][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][HEAVYATOMCOUNT]21[/HEAVYATOMCOUNT][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMAROMATICRINGS]1[/NUMAROMATICRINGS][FRACTIONCSP3]0.50[/FRACTIONCSP3][IUPAC]N-[(2S)-butan-2-yl]-4-(4-ethylphenyl)-4-oxobutane-1-sulfonamide[/IUPAC][START_SMILES]CCc1ccc(C(=O)CCCS(=O)(=O)NC(C)CC)cc1[END_SMILES]\n", + "GT: 0.72 Gen: 0.7 diff: 0.02 Cc1cc(-c2cccc3c(=O)n(CCCl)ccc23)n(C)n1 [QED]0.72[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]5[/NUMHETEROATOMS][NUMAROMATICCARBOCYCLES]1[/NUMAROMATICCARBOCYCLES][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][CLOGP]3.46[/CLOGP][RINGCOUNT]3[/RINGCOUNT][SAS]2.39[/SAS][HEAVYATOMCOUNT]21[/HEAVYATOMCOUNT][NUMAROMATICHETEROCYCLES]2[/NUMAROMATICHETEROCYCLES][NUMHACCEPTORS]4[/NUMHACCEPTORS][NHOHCOUNT]0[/NHOHCOUNT][NOCOUNT]4[/NOCOUNT][NUMROTATABLEBONDS]3[/NUMROTATABLEBONDS][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][NUMHDONORS]0[/NUMHDONORS][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][FRACTIONCSP3]0.19[/FRACTIONCSP3][NUMAROMATICRINGS]3[/NUMAROMATICRINGS][WEIGHT]298.08[/WEIGHT][TPSA]47.78[/TPSA][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][IUPAC]2-(2-chloroethyl)-5-(2,5-dimethylpyrazol-3-yl)isoquinolin-1-one[/IUPAC][START_SMILES]Cc1cc(-c2cccc3c(=O)n(CCCl)ccc23)n(C)n1[END_SMILES]\n", + "GT: 0.73 Gen: 0.71 diff: 0.02 CCCC(=O)NC(C(=O)NCCOC)c1ccccc1 [QED]0.73[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]5[/NUMHETEROATOMS][NUMAROMATICCARBOCYCLES]1[/NUMAROMATICCARBOCYCLES][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][RINGCOUNT]1[/RINGCOUNT][NUMROTATABLEBONDS]7[/NUMROTATABLEBONDS][NHOHCOUNT]2[/NHOHCOUNT][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][SAS]2.49[/SAS][CLOGP]1.86[/CLOGP][NUMHDONORS]2[/NUMHDONORS][NUMAROMATICHETEROCYCLES]0[/NUMAROMATICHETEROCYCLES][NUMHACCEPTORS]3[/NUMHACCEPTORS][TPSA]67.43[/TPSA][WEIGHT]266.15[/WEIGHT][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NOCOUNT]5[/NOCOUNT][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][HEAVYATOMCOUNT]19[/HEAVYATOMCOUNT][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMAROMATICRINGS]1[/NUMAROMATICRINGS][FRACTIONCSP3]0.43[/FRACTIONCSP3][IUPAC]N-[2-(2-methoxyethylamino)-2-oxo-1-phenylethyl]butanamide[/IUPAC][START_SMILES]CCCC(=O)NC(C(=O)NCCOC)c1ccccc1[END_SMILES]\n", + "GT: 0.74 Gen: 0.81 diff: 0.07 CCCCn1c(C)nnc1CNC(=O)CC(C)(C)c1ccccc1 [QED]0.74[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]5[/NUMHETEROATOMS][NUMAROMATICCARBOCYCLES]1[/NUMAROMATICCARBOCYCLES][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][CLOGP]3.26[/CLOGP][RINGCOUNT]2[/RINGCOUNT][NUMROTATABLEBONDS]7[/NUMROTATABLEBONDS][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][SAS]2.28[/SAS][NHOHCOUNT]1[/NHOHCOUNT][NUMHDONORS]1[/NUMHDONORS][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][TPSA]59.81[/TPSA][WEIGHT]314.21[/WEIGHT][NUMHACCEPTORS]4[/NUMHACCEPTORS][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NOCOUNT]5[/NOCOUNT][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][HEAVYATOMCOUNT]23[/HEAVYATOMCOUNT][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMAROMATICRINGS]2[/NUMAROMATICRINGS][FRACTIONCSP3]0.50[/FRACTIONCSP3][START_SMILES]CCCCn1c(C)nnc1CNC(=O)CC(C)(C)c1ccccc1[END_SMILES]\n", + "GT: 0.75 Gen: 0.77 diff: 0.02 COC(=O)C(C)(CSC)NCCc1c[nH]c2ccccc12 [QED]0.75[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]5[/NUMHETEROATOMS][NUMAROMATICCARBOCYCLES]1[/NUMAROMATICCARBOCYCLES][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][RINGCOUNT]2[/RINGCOUNT][NUMROTATABLEBONDS]6[/NUMROTATABLEBONDS][SAS]2.39[/SAS][NHOHCOUNT]1[/NHOHCOUNT][CLOGP]3.48[/CLOGP][NUMHDONORS]1[/NUMHDONORS][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMHACCEPTORS]4[/NUMHACCEPTORS][WEIGHT]303.11[/WEIGHT][TPSA]51.22[/TPSA][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NOCOUNT]4[/NOCOUNT][HEAVYATOMCOUNT]21[/HEAVYATOMCOUNT][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMAROMATICRINGS]2[/NUMAROMATICRINGS][FRACTIONCSP3]0.31[/FRACTIONCSP3][IUPAC]methyl 2-[2-(1H-indol-3-yl)ethylamino]-2-(methylsulfanylmethyl)propanoate[/IUPAC][START_SMILES]COC(=O)C(C)(CSC)NCCc1c[nH]c2ccccc12[END_SMILES]\n", + "GT: 0.76 Gen: 0.75 diff: 0.01 CCCCOc1ccc(C(=O)NC(C)c2ccncc2)cc1OC [QED]0.76[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]5[/NUMHETEROATOMS][NUMAROMATICCARBOCYCLES]1[/NUMAROMATICCARBOCYCLES][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][CLOGP]3.28[/CLOGP][RINGCOUNT]2[/RINGCOUNT][NUMROTATABLEBONDS]7[/NUMROTATABLEBONDS][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][SAS]2.29[/SAS][NHOHCOUNT]1[/NHOHCOUNT][NUMHDONORS]1[/NUMHDONORS][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][NUMHACCEPTORS]4[/NUMHACCEPTORS][WEIGHT]303.16[/WEIGHT][TPSA]56.15[/TPSA][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NOCOUNT]5[/NOCOUNT][HEAVYATOMCOUNT]22[/HEAVYATOMCOUNT][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][FRACTIONCSP3]0.35[/FRACTIONCSP3][NUMAROMATICRINGS]2[/NUMAROMATICRINGS][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][START_SMILES]CCCCOc1ccc(C(=O)NC(C)c2ccncc2)cc1OC[END_SMILES]\n", + "GT: 0.77 Gen: 0.83 diff: 0.06 COC(=O)C(NCCc1ccccc1Cl)c1ccc(C)nc1 [QED]0.77[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]5[/NUMHETEROATOMS][NUMAROMATICCARBOCYCLES]1[/NUMAROMATICCARBOCYCLES][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][CLOGP]3.26[/CLOGP][RINGCOUNT]2[/RINGCOUNT][NUMROTATABLEBONDS]6[/NUMROTATABLEBONDS][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][SAS]2.29[/SAS][NHOHCOUNT]1[/NHOHCOUNT][NUMHDONORS]1[/NUMHDONORS][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][TPSA]51.22[/TPSA][WEIGHT]304.11[/WEIGHT][NUMHACCEPTORS]4[/NUMHACCEPTORS][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NOCOUNT]4[/NOCOUNT][HEAVYATOMCOUNT]21[/HEAVYATOMCOUNT][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMAROMATICRINGS]2[/NUMAROMATICRINGS][FRACTIONCSP3]0.31[/FRACTIONCSP3][IUPAC]methyl 2-[2-(2-chlorophenyl)ethylamino]-2-(6-methylpyridin-3-yl)acetate[/IUPAC][START_SMILES]COC(=O)C(NCCc1ccccc1Cl)c1ccc(C)nc1[END_SMILES]\n", + "GT: 0.78 Gen: 0.82 diff: 0.04 CCc1cc(C(=O)OC)cc(NCCc2ccccc2Cl)n1 [QED]0.78[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]5[/NUMHETEROATOMS][NUMAROMATICCARBOCYCLES]1[/NUMAROMATICCARBOCYCLES][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][RINGCOUNT]2[/RINGCOUNT][NUMROTATABLEBONDS]6[/NUMROTATABLEBONDS][NHOHCOUNT]1[/NHOHCOUNT][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][SAS]2.34[/SAS][CLOGP]3.39[/CLOGP][NUMHDONORS]1[/NUMHDONORS][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][NUMHACCEPTORS]4[/NUMHACCEPTORS][WEIGHT]303.11[/WEIGHT][TPSA]51.22[/TPSA][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NOCOUNT]4[/NOCOUNT][HEAVYATOMCOUNT]21[/HEAVYATOMCOUNT][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMAROMATICRINGS]2[/NUMAROMATICRINGS][FRACTIONCSP3]0.31[/FRACTIONCSP3][IUPAC]methyl 2-[2-(2-chlorophenyl)ethylamino]-6-ethylpyridine-4-carboxylate[/IUPAC][START_SMILES]CCc1cc(C(=O)OC)cc(NCCc2ccccc2Cl)n1[END_SMILES]\n", + "GT: 0.79 Gen: 0.83 diff: 0.04 Cc1ccc(C)c(OCCNC(=O)C(C)c2nc(C)cs2)c1 [QED]0.79[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]5[/NUMHETEROATOMS][NUMAROMATICCARBOCYCLES]1[/NUMAROMATICCARBOCYCLES][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][RINGCOUNT]2[/RINGCOUNT][NUMROTATABLEBONDS]6[/NUMROTATABLEBONDS][SAS]2.34[/SAS][NHOHCOUNT]1[/NHOHCOUNT][CLOGP]3.38[/CLOGP][NUMHDONORS]1[/NUMHDONORS][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][TPSA]51.22[/TPSA][WEIGHT]318.14[/WEIGHT][NUMHACCEPTORS]4[/NUMHACCEPTORS][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NOCOUNT]4[/NOCOUNT][HEAVYATOMCOUNT]22[/HEAVYATOMCOUNT][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMAROMATICRINGS]2[/NUMAROMATICRINGS][FRACTIONCSP3]0.41[/FRACTIONCSP3][IUPAC]N-[2-(2,5-dimethylphenoxy)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)propanamide[/IUPAC][START_SMILES]Cc1ccc(C)c(OCCNC(=O)C(C)c2nc(C)cs2)c1[END_SMILES]\n", + "GT: 0.8 Gen: 0.83 diff: 0.03 Cc1ccc(C)c(OCCNC(=O)C(C)c2nc(C)cs2)c1 [QED]0.80[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]5[/NUMHETEROATOMS][NUMAROMATICCARBOCYCLES]1[/NUMAROMATICCARBOCYCLES][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][RINGCOUNT]2[/RINGCOUNT][NUMROTATABLEBONDS]6[/NUMROTATABLEBONDS][SAS]2.37[/SAS][NHOHCOUNT]1[/NHOHCOUNT][CLOGP]3.49[/CLOGP][NUMHDONORS]1[/NUMHDONORS][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][TPSA]51.22[/TPSA][WEIGHT]318.14[/WEIGHT][NUMHACCEPTORS]4[/NUMHACCEPTORS][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NOCOUNT]4[/NOCOUNT][HEAVYATOMCOUNT]22[/HEAVYATOMCOUNT][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMAROMATICRINGS]2[/NUMAROMATICRINGS][FRACTIONCSP3]0.41[/FRACTIONCSP3][IUPAC]N-[2-(2,5-dimethylphenoxy)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)propanamide[/IUPAC][START_SMILES]Cc1ccc(C)c(OCCNC(=O)C(C)c2nc(C)cs2)c1[END_SMILES]\n", + "GT: 0.81 Gen: 0.62 diff: 0.19 CCCCn1cc(CNc2cccc([N+](=O)[O-])c2C)cn1 [QED]0.81[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]5[/NUMHETEROATOMS][NUMAROMATICCARBOCYCLES]1[/NUMAROMATICCARBOCYCLES][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][CLOGP]2.79[/CLOGP][RINGCOUNT]2[/RINGCOUNT][NUMROTATABLEBONDS]6[/NUMROTATABLEBONDS][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][SAS]2.34[/SAS][NHOHCOUNT]1[/NHOHCOUNT][NUMHDONORS]1[/NUMHDONORS][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][NUMHACCEPTORS]4[/NUMHACCEPTORS][WEIGHT]275.15[/WEIGHT][TPSA]56.15[/TPSA][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NOCOUNT]5[/NOCOUNT][HEAVYATOMCOUNT]20[/HEAVYATOMCOUNT][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][FRACTIONCSP3]0.40[/FRACTIONCSP3][NUMAROMATICRINGS]2[/NUMAROMATICRINGS][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][IUPAC]N-[(1-butylpyrazol-4-yl)methyl]-2-methyl-3-nitroaniline[/IUPAC][START_SMILES]CCCCn1cc(CNc2cccc([N+](=O)[O-])c2C)cn1[END_SMILES]\n", + "GT: 0.8200000000000001 Gen: 0.89 diff: 0.07 COc1cccc(Cl)c1CCNC(=O)Cc1ccnc(C)c1 [QED]0.82[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]5[/NUMHETEROATOMS][NUMAROMATICCARBOCYCLES]1[/NUMAROMATICCARBOCYCLES][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][CLOGP]3.06[/CLOGP][RINGCOUNT]2[/RINGCOUNT][NUMROTATABLEBONDS]6[/NUMROTATABLEBONDS][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][SAS]2.27[/SAS][NHOHCOUNT]1[/NHOHCOUNT][NUMHDONORS]1[/NUMHDONORS][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][TPSA]51.22[/TPSA][WEIGHT]304.11[/WEIGHT][NUMHACCEPTORS]4[/NUMHACCEPTORS][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NOCOUNT]4[/NOCOUNT][HEAVYATOMCOUNT]21[/HEAVYATOMCOUNT][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMAROMATICRINGS]2[/NUMAROMATICRINGS][FRACTIONCSP3]0.31[/FRACTIONCSP3][IUPAC]N-[2-(2-chloro-6-methoxyphenyl)ethyl]-2-(2-methylpyridin-4-yl)acetamide[/IUPAC][START_SMILES]COc1cccc(Cl)c1CCNC(=O)Cc1ccnc(C)c1[END_SMILES]\n", + "GT: 0.8300000000000001 Gen: 0.82 diff: 0.01 Cc1ccc(C)c(OCCNc2ccc(S(C)(=O)=O)cc2C)c1 [QED]0.83[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]5[/NUMHETEROATOMS][NUMAROMATICCARBOCYCLES]1[/NUMAROMATICCARBOCYCLES][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][RINGCOUNT]2[/RINGCOUNT][NUMROTATABLEBONDS]6[/NUMROTATABLEBONDS][NHOHCOUNT]1[/NHOHCOUNT][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][SAS]2.27[/SAS][CLOGP]3.49[/CLOGP][NUMHDONORS]1[/NUMHDONORS][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][TPSA]51.22[/TPSA][WEIGHT]318.14[/WEIGHT][NUMHACCEPTORS]4[/NUMHACCEPTORS][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NOCOUNT]4[/NOCOUNT][HEAVYATOMCOUNT]22[/HEAVYATOMCOUNT][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMAROMATICRINGS]2[/NUMAROMATICRINGS][FRACTIONCSP3]0.41[/FRACTIONCSP3][IUPAC]N-[2-(2,5-dimethylphenoxy)ethyl]-2-methyl-4-methylsulfonylaniline[/IUPAC][START_SMILES]Cc1ccc(C)c(OCCNc2ccc(S(C)(=O)=O)cc2C)c1[END_SMILES]\n", + "GT: 0.84 Gen: 0.91 diff: 0.07 COc1cccc(Cl)c1CNc1cc(C(C)C)ncn1 [QED]0.84[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]5[/NUMHETEROATOMS][NUMAROMATICCARBOCYCLES]1[/NUMAROMATICCARBOCYCLES][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][RINGCOUNT]2[/RINGCOUNT][NUMROTATABLEBONDS]5[/NUMROTATABLEBONDS][NHOHCOUNT]1[/NHOHCOUNT][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][SAS]2.37[/SAS][CLOGP]3.69[/CLOGP][NUMHDONORS]1[/NUMHDONORS][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][TPSA]47.04[/TPSA][WEIGHT]277.11[/WEIGHT][NUMHACCEPTORS]4[/NUMHACCEPTORS][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NOCOUNT]4[/NOCOUNT][HEAVYATOMCOUNT]19[/HEAVYATOMCOUNT][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMAROMATICRINGS]2[/NUMAROMATICRINGS][FRACTIONCSP3]0.36[/FRACTIONCSP3][IUPAC]N-[(2-chloro-6-methoxyphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine[/IUPAC][START_SMILES]COc1cccc(Cl)c1CNc1cc(C(C)C)ncn1[END_SMILES]\n", + "GT: 0.85 Gen: 0.86 diff: 0.01 COC(=O)C(NCc1ccccc1Cl)c1ccoc1C [QED]0.85[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]5[/NUMHETEROATOMS][NUMAROMATICCARBOCYCLES]1[/NUMAROMATICCARBOCYCLES][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][RINGCOUNT]2[/RINGCOUNT][NUMROTATABLEBONDS]5[/NUMROTATABLEBONDS][NHOHCOUNT]1[/NHOHCOUNT][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][SAS]2.37[/SAS][CLOGP]3.46[/CLOGP][NUMHDONORS]1[/NUMHDONORS][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][TPSA]51.22[/TPSA][WEIGHT]304.06[/WEIGHT][NUMHACCEPTORS]4[/NUMHACCEPTORS][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NOCOUNT]4[/NOCOUNT][HEAVYATOMCOUNT]20[/HEAVYATOMCOUNT][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMAROMATICRINGS]2[/NUMAROMATICRINGS][FRACTIONCSP3]0.27[/FRACTIONCSP3][IUPAC]methyl 2-[(2-chlorophenyl)methylamino]-2-(2-methylfuran-3-yl)acetate[/IUPAC][START_SMILES]COC(=O)C(NCc1ccccc1Cl)c1ccoc1C[END_SMILES]\n", + "GT: 0.86 Gen: 0.91 diff: 0.05 COc1cccc(Cl)c1CNCc1cnc(C)cn1 [QED]0.86[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]5[/NUMHETEROATOMS][NUMAROMATICCARBOCYCLES]1[/NUMAROMATICCARBOCYCLES][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][SAS]2.37[/SAS][RINGCOUNT]2[/RINGCOUNT][NHOHCOUNT]1[/NHOHCOUNT][NUMHACCEPTORS]4[/NUMHACCEPTORS][NUMHDONORS]1[/NUMHDONORS][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][HEAVYATOMCOUNT]19[/HEAVYATOMCOUNT][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][NUMROTATABLEBONDS]5[/NUMROTATABLEBONDS][CLOGP]2.55[/CLOGP][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][WEIGHT]277.09[/WEIGHT][TPSA]51.22[/TPSA][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NOCOUNT]4[/NOCOUNT][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][NUMAROMATICRINGS]2[/NUMAROMATICRINGS][FRACTIONCSP3]0.29[/FRACTIONCSP3][IUPAC]N-[(2-chloro-6-methoxyphenyl)methyl]-1-(5-methylpyrazin-2-yl)methanamine[/IUPAC][START_SMILES]COc1cccc(Cl)c1CNCc1cnc(C)cn1[END_SMILES]\n", + "GT: 0.87 Gen: 0.91 diff: 0.04 CC(C)c1ccc(C(C)NC(=O)Cn2ccnc2)cc1 [QED]0.87[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]5[/NUMHETEROATOMS][NUMAROMATICCARBOCYCLES]1[/NUMAROMATICCARBOCYCLES][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][CLOGP]2.93[/CLOGP][RINGCOUNT]2[/RINGCOUNT][NUMROTATABLEBONDS]5[/NUMROTATABLEBONDS][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][SAS]2.34[/SAS][NHOHCOUNT]1[/NHOHCOUNT][NUMHDONORS]1[/NUMHDONORS][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][TPSA]59.81[/TPSA][WEIGHT]284.16[/WEIGHT][NUMHACCEPTORS]4[/NUMHACCEPTORS][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][HEAVYATOMCOUNT]21[/HEAVYATOMCOUNT][NOCOUNT]5[/NOCOUNT][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMAROMATICRINGS]2[/NUMAROMATICRINGS][FRACTIONCSP3]0.38[/FRACTIONCSP3][START_SMILES]CC(C)c1ccc(C(C)NC(=O)Cn2ccnc2)cc1[END_SMILES]\n", + "GT: 0.88 Gen: 0.92 diff: 0.04 COc1cccc(Cl)c1CNC(=O)Cc1cc(C)nn1C [QED]0.88[/QED][NUMALIPHATICHETEROCYCLES]0[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]5[/NUMHETEROATOMS][NUMAROMATICCARBOCYCLES]1[/NUMAROMATICCARBOCYCLES][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][RINGCOUNT]2[/RINGCOUNT][NUMROTATABLEBONDS]5[/NUMROTATABLEBONDS][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][SAS]2.37[/SAS][NHOHCOUNT]1[/NHOHCOUNT][CLOGP]3.16[/CLOGP][NUMHDONORS]1[/NUMHDONORS][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][TPSA]51.22[/TPSA][WEIGHT]292.11[/WEIGHT][NUMHACCEPTORS]4[/NUMHACCEPTORS][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NOCOUNT]4[/NOCOUNT][HEAVYATOMCOUNT]20[/HEAVYATOMCOUNT][NUMALIPHATICRINGS]0[/NUMALIPHATICRINGS][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMAROMATICRINGS]2[/NUMAROMATICRINGS][FRACTIONCSP3]0.33[/FRACTIONCSP3][IUPAC]N-[(2-chloro-6-methoxyphenyl)methyl]-2-(2,5-dimethylpyrazol-3-yl)acetamide[/IUPAC][START_SMILES]COc1cccc(Cl)c1CNC(=O)Cc1cc(C)nn1C[END_SMILES]\n", + "GT: 0.89 Gen: 0.92 diff: 0.03 Cc1cccc(Cl)c1CN(CC1CCCN1)c1ncccn1 [QED]0.89[/QED][NUMALIPHATICHETEROCYCLES]1[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]5[/NUMHETEROATOMS][NUMAROMATICCARBOCYCLES]1[/NUMAROMATICCARBOCYCLES][NUMSATURATEDHETEROCYCLES]1[/NUMSATURATEDHETEROCYCLES][RINGCOUNT]3[/RINGCOUNT][NUMSATURATEDRINGS]1[/NUMSATURATEDRINGS][SAS]2.74[/SAS][HEAVYATOMCOUNT]21[/HEAVYATOMCOUNT][WEIGHT]305.14[/WEIGHT][NHOHCOUNT]1[/NHOHCOUNT][CLOGP]2.67[/CLOGP][NUMHDONORS]1[/NUMHDONORS][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][NUMHACCEPTORS]4[/NUMHACCEPTORS][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMROTATABLEBONDS]5[/NUMROTATABLEBONDS][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NOCOUNT]4[/NOCOUNT][NUMALIPHATICRINGS]1[/NUMALIPHATICRINGS][TPSA]41.05[/TPSA][FRACTIONCSP3]0.44[/FRACTIONCSP3][NUMAROMATICRINGS]2[/NUMAROMATICRINGS][IUPAC]N-[(2-chloro-6-methylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine[/IUPAC][START_SMILES]Cc1cccc(Cl)c1CN(CC1CCCN1)c1ncccn1[END_SMILES]\n", + "GT: 0.9 Gen: 0.93 diff: 0.03 COc1ccc(C2(C)CCN(C(C)C(=O)O)CC2)c(Cl)c1 [QED]0.90[/QED][NUMALIPHATICHETEROCYCLES]1[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]5[/NUMHETEROATOMS][NUMAROMATICCARBOCYCLES]1[/NUMAROMATICCARBOCYCLES][NUMSATURATEDHETEROCYCLES]1[/NUMSATURATEDHETEROCYCLES][RINGCOUNT]2[/RINGCOUNT][NUMROTATABLEBONDS]4[/NUMROTATABLEBONDS][SAS]2.73[/SAS][NHOHCOUNT]1[/NHOHCOUNT][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][CLOGP]2.68[/CLOGP][NUMHDONORS]1[/NUMHDONORS][NUMAROMATICHETEROCYCLES]0[/NUMAROMATICHETEROCYCLES][NUMHACCEPTORS]3[/NUMHACCEPTORS][WEIGHT]310.14[/WEIGHT][TPSA]49.77[/TPSA][NUMSATURATEDRINGS]1[/NUMSATURATEDRINGS][NOCOUNT]4[/NOCOUNT][HEAVYATOMCOUNT]21[/HEAVYATOMCOUNT][NUMALIPHATICRINGS]1[/NUMALIPHATICRINGS][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMAROMATICRINGS]1[/NUMAROMATICRINGS][FRACTIONCSP3]0.56[/FRACTIONCSP3][IUPAC]2-[4-(2-chloro-4-methoxyphenyl)-4-methylpiperidin-1-yl]propanoic acid[/IUPAC][START_SMILES]COc1ccc(C2(C)CCN(C(C)C(=O)O)CC2)c(Cl)c1[END_SMILES]\n", + "GT: 0.91 Gen: 0.93 diff: 0.02 CCn1ncnc1CN1CCCC(O)(c2ccccc2)C1 [QED]0.91[/QED][NUMALIPHATICHETEROCYCLES]1[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]5[/NUMHETEROATOMS][NUMAROMATICCARBOCYCLES]1[/NUMAROMATICCARBOCYCLES][NUMSATURATEDHETEROCYCLES]1[/NUMSATURATEDHETEROCYCLES][SAS]2.73[/SAS][RINGCOUNT]3[/RINGCOUNT][NHOHCOUNT]1[/NHOHCOUNT][NUMHDONORS]1[/NUMHDONORS][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][HEAVYATOMCOUNT]21[/HEAVYATOMCOUNT][CLOGP]2.68[/CLOGP][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][WEIGHT]286.16[/WEIGHT][NUMSATURATEDRINGS]1[/NUMSATURATEDRINGS][TPSA]58.37[/TPSA][NUMROTATABLEBONDS]4[/NUMROTATABLEBONDS][NUMHACCEPTORS]4[/NUMHACCEPTORS][NOCOUNT]5[/NOCOUNT][NUMALIPHATICRINGS]1[/NUMALIPHATICRINGS][FRACTIONCSP3]0.44[/FRACTIONCSP3][NUMAROMATICRINGS]2[/NUMAROMATICRINGS][IUPAC]1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-phenylpiperidin-3-ol[/IUPAC][START_SMILES]CCn1ncnc1CN1CCCC(O)(c2ccccc2)C1[END_SMILES]\n", + "GT: 0.92 Gen: 0.86 diff: 0.06 Cc1cc(CN(CC2CCCN2)c2ccccc2)nc(Cl)n1 [QED]0.92[/QED][NUMALIPHATICHETEROCYCLES]1[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]5[/NUMHETEROATOMS][NUMAROMATICCARBOCYCLES]1[/NUMAROMATICCARBOCYCLES][NUMSATURATEDHETEROCYCLES]1[/NUMSATURATEDHETEROCYCLES][RINGCOUNT]3[/RINGCOUNT][NUMSATURATEDRINGS]1[/NUMSATURATEDRINGS][HEAVYATOMCOUNT]21[/HEAVYATOMCOUNT][SAS]2.74[/SAS][WEIGHT]305.14[/WEIGHT][CLOGP]2.86[/CLOGP][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][NHOHCOUNT]1[/NHOHCOUNT][NUMHACCEPTORS]4[/NUMHACCEPTORS][NUMHDONORS]1[/NUMHDONORS][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMROTATABLEBONDS]5[/NUMROTATABLEBONDS][NOCOUNT]4[/NOCOUNT][NUMALIPHATICRINGS]1[/NUMALIPHATICRINGS][TPSA]41.05[/TPSA][FRACTIONCSP3]0.44[/FRACTIONCSP3][NUMAROMATICRINGS]2[/NUMAROMATICRINGS][IUPAC]N-[(2-chloro-6-methylpyrimidin-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)aniline[/IUPAC][START_SMILES]Cc1cc(CN(CC2CCCN2)c2ccccc2)nc(Cl)n1[END_SMILES]\n", + "GT: 0.93 Gen: 0.94 diff: 0.01 CC(C)NCc1cnc(N2CCSCC2)c2ccccc12 [QED]0.93[/QED][NUMALIPHATICHETEROCYCLES]1[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]5[/NUMHETEROATOMS][NUMAROMATICCARBOCYCLES]1[/NUMAROMATICCARBOCYCLES][NUMSATURATEDHETEROCYCLES]1[/NUMSATURATEDHETEROCYCLES][RINGCOUNT]3[/RINGCOUNT][NUMSATURATEDRINGS]1[/NUMSATURATEDRINGS][SAS]2.74[/SAS][HEAVYATOMCOUNT]21[/HEAVYATOMCOUNT][WEIGHT]305.14[/WEIGHT][NHOHCOUNT]1[/NHOHCOUNT][CLOGP]2.86[/CLOGP][NUMHDONORS]1[/NUMHDONORS][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][NUMHACCEPTORS]4[/NUMHACCEPTORS][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMROTATABLEBONDS]4[/NUMROTATABLEBONDS][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NOCOUNT]4[/NOCOUNT][NUMALIPHATICRINGS]1[/NUMALIPHATICRINGS][TPSA]41.05[/TPSA][NUMAROMATICRINGS]2[/NUMAROMATICRINGS][FRACTIONCSP3]0.44[/FRACTIONCSP3][START_SMILES]CC(C)NCc1cnc(N2CCSCC2)c2ccccc12[END_SMILES]\n", + "GT: 0.9400000000000001 Gen: 0.94 diff: 0.0 Cc1cccc(NCC(=O)N2CCCC2c2cnn(C)c2)c1 [QED]0.94[/QED][NUMALIPHATICHETEROCYCLES]1[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]5[/NUMHETEROATOMS][NUMAROMATICCARBOCYCLES]1[/NUMAROMATICCARBOCYCLES][NUMSATURATEDHETEROCYCLES]1[/NUMSATURATEDHETEROCYCLES][NUMROTATABLEBONDS]3[/NUMROTATABLEBONDS][RINGCOUNT]3[/RINGCOUNT][SAS]2.76[/SAS][NHOHCOUNT]1[/NHOHCOUNT][CLOGP]2.85[/CLOGP][NUMHDONORS]1[/NUMHDONORS][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][WEIGHT]301.16[/WEIGHT][NUMHACCEPTORS]4[/NUMHACCEPTORS][TPSA]58.37[/TPSA][NUMSATURATEDRINGS]1[/NUMSATURATEDRINGS][HEAVYATOMCOUNT]22[/HEAVYATOMCOUNT][NOCOUNT]5[/NOCOUNT][NUMALIPHATICRINGS]1[/NUMALIPHATICRINGS][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][NUMAROMATICRINGS]2[/NUMAROMATICRINGS][FRACTIONCSP3]0.41[/FRACTIONCSP3][IUPAC]1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-(3-methylanilino)ethanone[/IUPAC][START_SMILES]Cc1cccc(NCC(=O)N2CCCC2c2cnn(C)c2)c1[END_SMILES]\n", + "GT: 0.9500000000000001 Gen: 0.86 diff: 0.09 CN(Cc1cccc(Cl)c1)C(=O)c1nc2c(s1)CCCC2 [QED]0.95[/QED][NUMALIPHATICHETEROCYCLES]1[/NUMALIPHATICHETEROCYCLES][NUMHETEROATOMS]5[/NUMHETEROATOMS][NUMAROMATICCARBOCYCLES]1[/NUMAROMATICCARBOCYCLES][NUMSATURATEDHETEROCYCLES]1[/NUMSATURATEDHETEROCYCLES][RINGCOUNT]3[/RINGCOUNT][NUMSATURATEDRINGS]1[/NUMSATURATEDRINGS][HEAVYATOMCOUNT]21[/HEAVYATOMCOUNT][SAS]2.74[/SAS][WEIGHT]304.11[/WEIGHT][CLOGP]3.16[/CLOGP][NUMAROMATICHETEROCYCLES]1[/NUMAROMATICHETEROCYCLES][NHOHCOUNT]1[/NHOHCOUNT][NUMHDONORS]1[/NUMHDONORS][NUMHACCEPTORS]4[/NUMHACCEPTORS][NOCOUNT]4[/NOCOUNT][NUMROTATABLEBONDS]3[/NUMROTATABLEBONDS][NUMAROMATICRINGS]2[/NUMAROMATICRINGS][NUMALIPHATICRINGS]1[/NUMALIPHATICRINGS][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][TPSA]45.23[/TPSA][NUMALIPHATICCARBOCYCLES]0[/NUMALIPHATICCARBOCYCLES][FRACTIONCSP3]0.38[/FRACTIONCSP3][IUPAC]N-[(3-chlorophenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide[/IUPAC][START_SMILES]CN(Cc1cccc(Cl)c1)C(=O)c1nc2c(s1)CCCC2[END_SMILES]\n" ] } ], "source": [ "ground_truths, gens, diffs = [],[],[]\n", "invalids = 0\n", - "for i in np.arange(0,1, 0.01):\n", + "for i in np.arange(0,0.96, 0.01):\n", " prompt = f\"[QED]{i:.2f}[/QED]\"\n", " len_prompt = len(prompt)\n", " prompt = tokenizer(prompt, return_tensors=\"pt\").to(model.device)\n", - " out = model.generate(prompt.input_ids, do_sample=False, eos_token_id=20, max_length=300)\n", + " out = model2.generate(prompt.input_ids, do_sample=False, eos_token_id=20, suppress_tokens = [2, 50002, 50035, 50003, 50036, 50000, 50033]\n", + " ,repetition_penalty=1.01\n", + " , max_length=1000)\n", " out = tokenizer.batch_decode(out)[0]\n", " try:\n", " if out.find(\"[END_SMILES]\")!=-1:\n", @@ -496,7 +808,9 @@ " gens.append(qed_score)\n", " diffs.append(diff)\n", " else:\n", + " print(\"****\")\n", " print(f\"GT: {i} {out}\")\n", + " invalids += 1\n", " except:\n", " print(f\"GT: {i} {out}\")\n", " invalids += 1\n", @@ -505,14 +819,34 @@ }, { "cell_type": "code", - "execution_count": 50, + "execution_count": 29, + "metadata": {}, + "outputs": [ + { + "data": { + "text/plain": [ + "0" + ] + }, + "execution_count": 29, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "invalids" + ] + }, + { + "cell_type": "code", + "execution_count": 30, "metadata": {}, "outputs": [ { "name": "stdout", "output_type": "stream", "text": [ - "0.30862685825185177\n" + "0.06982865935034603\n" ] }, { @@ -525,7 +859,7 @@ }, { "data": { - "image/png": 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", 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", "text/plain": [ "
" ] diff --git a/notebooks/sft_test.ipynb b/notebooks/sft_test.ipynb index 0aee92c..ff59881 100644 --- a/notebooks/sft_test.ipynb +++ b/notebooks/sft_test.ipynb @@ -4,10 +4,21 @@ "cell_type": "code", "execution_count": 1, "metadata": {}, - "outputs": [], + "outputs": [ + { + "name": "stderr", + "output_type": "stream", + "text": [ + "/auto/home/menuab/miniforge3/envs/gemma_env_new/lib/python3.10/site-packages/tqdm/auto.py:21: TqdmWarning: IProgress not found. Please update jupyter and ipywidgets. See https://ipywidgets.readthedocs.io/en/stable/user_install.html\n", + " from .autonotebook import tqdm as notebook_tqdm\n" + ] + } + ], "source": [ "from trl import SFTTrainer, DataCollatorForCompletionOnlyLM\n", "import torch\n", + "from transformers import OPTForCausalLM, AutoModelForCausalLM, AutoTokenizer\n", + "\n", "from datasets import load_dataset\n", "from datasets.iterable_dataset import IterableDataset\n", "from transformers import OPTForCausalLM\n", @@ -21,94 +32,50 @@ }, { "cell_type": "code", - "execution_count": 17, - "metadata": {}, - "outputs": [], - "source": [ - "data = \"HLM\"\n", - "dataset = load_dataset(\n", - " \"/auto/home/menuab/code/sft_data/ADME_RLM\"\n", - " )" - ] - }, - { - "cell_type": "code", - "execution_count": 28, - "metadata": {}, - "outputs": [], - "source": [ - "dataset=load_dataset(\"gayane/Lipo\")" - ] - }, - { - "cell_type": "code", - "execution_count": 29, + "execution_count": 2, "metadata": {}, "outputs": [ + { + "name": "stderr", + "output_type": "stream", + "text": [ + "Special tokens have been added in the vocabulary, make sure the associated word embeddings are fine-tuned or trained.\n" + ] + }, { "data": { "text/plain": [ - "DatasetDict({\n", - " train: Dataset({\n", - " features: ['smiles', 'activity'],\n", - " num_rows: 3360\n", - " })\n", - " validation: Dataset({\n", - " features: ['smiles', 'activity'],\n", - " num_rows: 420\n", - " })\n", - " test: Dataset({\n", - " features: ['smiles', 'activity'],\n", - " num_rows: 420\n", - " })\n", - "})" + "(50066, 256000)" ] }, - "execution_count": 29, + "execution_count": 2, "metadata": {}, "output_type": "execute_result" } ], "source": [ - "dataset" + "gal_tokenizer = AutoTokenizer.from_pretrained(\"/auto/home/menuab/code/ChemLactica/chemlactica/tokenizer/ChemLacticaTokenizer66\")\n", + "gem_tokenizer = AutoTokenizer.from_pretrained(\"/auto/home/menuab/code/ChemLactica/chemlactica/tokenizer/GemmaTokenizer\")\n", + "len(gal_tokenizer), len(gem_tokenizer)" ] }, { "cell_type": "code", - "execution_count": 3, + "execution_count": null, "metadata": {}, - "outputs": [ - { - "name": "stderr", - "output_type": "stream", - "text": [ - "Special tokens have been added in the vocabulary, make sure the associated word embeddings are fine-tuned or trained.\n" - ] - }, - { - "name": "stdout", - "output_type": "stream", - "text": [ - "Process 2433736 created a tokenizer\n" - ] - } - ], - "source": [ - "tokenizer = get_tokenizer(\"/auto/home/menuab/code/ChemLactica/chemlactica/tokenizer/ChemLacticaTokenizer66\")" - ] + "outputs": [], + "source": [] }, { "cell_type": "code", - "execution_count": 27, + "execution_count": 53, "metadata": {}, "outputs": [ { "name": "stdout", "output_type": "stream", "text": [ - "checkpoint-106\tcheckpoint-265\tcheckpoint-424\tcheckpoint-530\tcheckpoint-689\n", - "checkpoint-159\tcheckpoint-318\tcheckpoint-477\tcheckpoint-583\tcheckpoint-742\n", - "checkpoint-212\tcheckpoint-371\tcheckpoint-53\tcheckpoint-636\tcheckpoint-795\n" + "last\n" ] }, { @@ -123,568 +90,607 @@ } ], "source": [ - "!ls \"/nfs/dgx/raid/chem/checkpoints/facebook/galactica-125m/f10e080952974379b0e99bad\"" + "path = \"/nfs/dgx/raid/chem/checkpoints/galactica-125m/1f289ff103034364bd27e1c3/b9a3b47cdd244547abfac334\"\n", + "!ls \"/nfs/dgx/raid/chem/checkpoints/galactica-125m/1f289ff103034364bd27e1c3/b9a3b47cdd244547abfac334\"\n" ] }, { "cell_type": "code", - "execution_count": 12, + "execution_count": 123, "metadata": {}, - "outputs": [ - { - "data": { - "text/plain": [ - "device(type='cuda', index=0)" - ] - }, - "execution_count": 12, - "metadata": {}, - "output_type": "execute_result" - } - ], + "outputs": [], "source": [ - "model.device" + "model_125m_20k_9954 = \"/nfs/dgx/raid/chem/checkpoints/facebook/galactica-125m/9954e52e400b43d18d3a40f6/checkpoint-20480\"\n", + "model_2b_11k_d6e6 = \"/nfs/dgx/raid/chem/checkpoints/google/gemma-2b/d6e6a76e91814ad68d5fa264/checkpoint-11000\"\n", + "model_125m_18k_1f28 = \"/nfs/dgx/raid/chem/checkpoints/facebook/galactica-125m/1f289ff103034364bd27e1c3/checkpoint-18000/\"\n", + "model_2b_12k_0717 = \"/nfs/dgx/raid/chem/checkpoints/h100/google/gemma-2b/0717d445bcf44e31b2887892/checkpoint-12000\"\n" ] }, { - "cell_type": "markdown", + "cell_type": "code", + "execution_count": 4, "metadata": {}, - "source": [] + "outputs": [], + "source": [ + "hPPB = \"/nfs/dgx/raid/chem/checkpoints/galactica-125m/1f289ff103034364bd27e1c3/b1b66dbf0b834f1c9da0a444\"\n", + "rPPB = \"/nfs/dgx/raid/chem/checkpoints/galactica-125m/1f289ff103034364bd27e1c3/b9da010c01844cefb8b03426\"\n", + "HLM = \"/nfs/dgx/raid/chem/checkpoints/galactica-125m/1f289ff103034364bd27e1c3/803746806706444c8f36d6e9\"\n", + "MD1 = \"/nfs/dgx/raid/chem/checkpoints/galactica-125m/1f289ff103034364bd27e1c3/3261ee682d58403bb8b4b29a\"\n", + "Sol = \"/nfs/dgx/raid/chem/checkpoints/galactica-125m/1f289ff103034364bd27e1c3/f9218c28afc64175b07813fd\"\n", + "RLM = \"/nfs/dgx/raid/chem/checkpoints/galactica-125m/1f289ff103034364bd27e1c3/310a879774b842d4af6c3822\"\n", + "freesolv = \"/nfs/dgx/raid/chem/checkpoints/galactica-125m/1f289ff103034364bd27e1c3/07677b1fa3014ab1bf445f16\"\n", + "esol = \"/nfs/dgx/raid/chem/checkpoints/galactica-125m/1f289ff103034364bd27e1c3/421bf81ba8754fe9ac651eb0\"" + ] }, { "cell_type": "code", - "execution_count": 35, + "execution_count": 32, "metadata": {}, - "outputs": [ - { - "name": "stderr", - "output_type": "stream", - "text": [ - "You are attempting to use Flash Attention 2.0 with a model not initialized on GPU. Make sure to move the model to GPU after initializing it on CPU with `model.to('cuda')`.\n" - ] - }, - { - "data": { - "text/plain": [ - "(device(type='cuda', index=0), torch.float16)" - ] - }, - "execution_count": 35, - "metadata": {}, - "output_type": "execute_result" - } - ], + "outputs": [], "source": [ - "model_path_newPT = \"/nfs/dgx/raid/chem/checkpoints/facebook/galactica-125m/f8caabf2b00f4662ae55939a/checkpoint-2000/\"\n", - "model_path_newSFT = \"/nfs/dgx/raid/chem/checkpoints/facebook/galactica-125m/f10e080952974379b0e99bad/checkpoint-795/\"\n", - "model = load_model(model_path_newSFT, use_flash_attn=True, gradient_checkpointing=False, dtype=torch.float16).to('cuda').eval()\n", - "# model = OPTForCausalLM.from_pretrained(model_path_newSFT, attn_implementation=\"flash_attention_2\", torch_dtype=torch.float16).to('cuda').eval()\n", - "model.device, model.dtype" + "dataset = load_dataset(\n", + " \"/auto/home/menuab/code/sft_data/ADME_RLM\"\n", + " )" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [ + "HLM = \"/nfs/dgx/raid/chem/checkpoints/google/gemma-2b/c247f1a414ae4bb9ad855748\"\n", + "RLM = \"/nfs/dgx/raid/chem/checkpoints/google/gemma-2b/6a1f3428e7004e35a58e85c3\"\n", + "MD1 = \"/nfs/dgx/raid/chem/checkpoints/google/gemma-2b/27190d95359b4232ad86a67b\"\n", + "rPPB = \"/nfs/dgx/raid/chem/checkpoints/google/gemma-2b/27190d95359b4232ad86a67b\"\n", + "hPPB = \"/nfs/dgx/raid/chem/checkpoints/google/gemma-2b/8898500c69594b6880765375\"\n", + "Sol = \"/nfs/dgx/raid/chem/checkpoints/google/gemma-2b/1f37207f5fc048f8990def13\"\n", + "freesolv = \"/nfs/dgx/raid/chem/checkpoints/google/gemma-2b/4275d646fbdb4cb1bc117047\"\n", + "esol = \"/nfs/dgx/raid/chem/checkpoints/google/gemma-2b/09bc2ca81f2248a9940a9cc6\"\n", + "lipo = \"/nfs/dgx/raid/chem/checkpoints/google/gemma-2b/02792a595f0d4a938f9512bd\"" ] }, { "cell_type": "code", - "execution_count": 34, + "execution_count": 78, "metadata": {}, "outputs": [ { "data": { "text/plain": [ - "'[START_SMILES]Clc1cnc(NCC2(CN3CCCC3)CC2)nc1[END_SMILES][IUPAC]5-chloro-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine[/IUPAC][NOCOUNT]4[/NOCOUNT][NUMROTATABLEBONDS]5[/NUMROTATABLEBONDS][NUMHETEROATOMS]5[/NUMHETEROATOMS][NUMALIPHATICRINGS]2[/NUMALIPHATICRINGS][NHOHCOUNT]1[/NHOHCOUNT][NUMSATURATEDCARBOCYCLES]1[/NUMSATURATEDCARBOCYCLES][TPSA]41.05[/TPSA][QED]0.87[/QED][RINGCOUNT]3[/RINGCOUNT][NUMSATURATEDRINGS]2[/NUMSATURATEDRINGS][HEAVYATOMCOUNT]17[/HEAVYATOMCOUNT][NUMSATURATEDHETEROCYCLES]1[/NUMSATURATEDHETEROCYCLES][NUMHACCEPTORS]4[/NUMHACCEPTORS][NUMAROMATICHETEROCYCLES]'" + "DatasetDict({\n", + " train: Dataset({\n", + " features: ['smiles', 'activity'],\n", + " num_rows: 3360\n", + " })\n", + " validation: Dataset({\n", + " features: ['smiles', 'activity'],\n", + " num_rows: 420\n", + " })\n", + " test: Dataset({\n", + " features: ['smiles', 'activity'],\n", + " num_rows: 420\n", + " })\n", + "})" ] }, - "execution_count": 34, + "execution_count": 78, "metadata": {}, "output_type": "execute_result" } ], "source": [ - "prompt = tokenizer(\"[START_SMILES]Clc1cnc(NCC2(CN3CCCC3)CC2)nc1[END_SMILES]\", return_tensors=\"pt\").to(model.device)\n", - "out = model.generate(prompt.input_ids, do_sample=False, max_length=100)\n", - "out = tokenizer.batch_decode(out)[0]\n", - "out" + "dataset = load_dataset(\"gayane/lipo\")\n", + "dataset" ] }, { "cell_type": "code", - "execution_count": 36, + "execution_count": 79, "metadata": {}, "outputs": [ { "name": "stdout", "output_type": "stream", "text": [ - "GT: 0.44 Gen: 1.23 diff: 0.79 [START_SMILES]Cc1ccccc1NC(=O)CCS(=O)(=O)c2ccc(Br)s2[END_SMILES][PROPERTY]activity 1.23[/PROPERTY][PROPERTY]Other MS 184.0431 1.23[/PROPERTY][PROPERTY]Other MS 186.0431 1.23[/PROPERTY][PROPERTY]Other MS 185.0431 1.23[/PROPERTY][PROPERTY]Other MS 186\n", - "GT: -0.81 Gen: -0.98 diff: 0.17 [START_SMILES]COCCNC(=O)c1cccc(CN2NC(=O)C3=C(C2=O)C(=O)c4ccc(Cl)cc4N3)c1[END_SMILES][PROPERTY]activity -0.98[/PROPERTY][PROPERTY]-0.89[/PROPERTY][PROPERTY]-0.89[/PROPERTY][PROPERTY]-0.89[/PROPERTY][PROPERTY]-0.89[/PROPERTY][PROPERTY]-0.89[/PROPERTY][PROPERTY]-0.89[/PROPERTY][PROPERTY]\n", - "GT: 0.48 Gen: 0.52 diff: 0.04 [START_SMILES]OC(=O)c1[nH]c2ccccc2c1CCCOc3cccc4ccccc34[END_SMILES][PROPERTY]activity 0.52[/PROPERTY][PROPERTY]Other MS 195.0161 100[/PROPERTY][PROPERTY]Other MS 287.2369 15.31[/PROPERTY][PROPERTY]Other MS 509.2772 5.31[/PROPERTY][PROPERTY]Other MS 255.\n", - "GT: 1.43 Gen: 1.1 diff: 0.33 [START_SMILES]COc1ccc2nc(C)cc(OCC(=O)Nc3ccccc3OC)c2c1[END_SMILES][PROPERTY]activity 1.1[/PROPERTY][PROPERTY]GC-MS m/z Top Peak: 115[/PROPERTY][PROPERTY]GC-MS m/z 2nd Highest: 114[/PROPERTY][PROPERTY]GC-MS m/z 3rd Highest: 113[/PROPERTY][NUMHETEROATOMS]7[/NUMHETEROATOMS][NHOHCOUNT]1[/NHOHCOUNT][NUMSATURATEDRINGS]0[/NUMSATURATEDRINGS][NUMROTATABLEBONDS]7[/NUMROTATABLEBONDS]\n", - "GT: -1.57 Gen: -0.48 diff: 1.09 [START_SMILES]CCS(=O)(=O)c1ccc(Oc2c(C)n(CC(=O)O)c3ccc(cc23)C(F)(F)F)cc1[END_SMILES][PROPERTY]activity -0.48[/PROPERTY][PROPERTY]Other-0.38[/PROPERTY][PROPERTY]Other MS -0.38[/PROPERTY][PROPERTY]Other MS -0.38[/PROPERTY][PROPERTY]Other MS -0.38[/PROPERTY][PROPERTY]Other MS\n", - "GT: -0.05 Gen: -0.35 diff: 0.3 [START_SMILES]CN1CCN(CC1)c2ccc3N=CN(C(=O)c3c2)c4cc(NC(=O)c5cncs5)ccc4C[END_SMILES][PROPERTY]activity -0.35[/PROPERTY][PROPERTY]Other MS 101.06[/PROPERTY][PROPERTY]Other MS 102.06[/PROPERTY][PROPERTY]Other MS 114.055 5[/PROPERTY][PROPERTY]Other MS 102.0\n", - "GT: 0.35 Gen: 0.27 diff: 0.08 [START_SMILES]CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C)C=O[END_SMILES][PROPERTY]activity 0.27[/PROPERTY][PROPERTY]GC-MS m/z1.1[/PROPERTY][PROPERTY]GC-0.27[/PROPERTY][PROPERTY]GC-0.27[/PROPERTY][PROPERTY]GC-0.27[/PROPERTY][PROPERTY]GC-\n", - "GT: 0.93 Gen: 0.93 diff: 0.0 [START_SMILES]CC1=CC2=NNC(=O)N2c3cc(ccc13)c4ccc[nH]4[END_SMILES][PROPERTY]activity 0.93[/PROPERTY][PROPERTY]Other MS 171.02[/PROPERTY][PROPERTY]Other MS 107.02[/PROPERTY][PROPERTY]Other MS 109.02[/PROPERTY][PROPERTY]Other MS 64.01[/PROPERTY][PROPERTY]Other MS 81.01[/PROPERTY][PROPERTY]Other MS 171\n", - "GT: -0.39 Gen: -0.3 diff: 0.09 [START_SMILES]OC1(C(=O)Nc2ccccc12)c3ccccc3[END_SMILES][PROPERTY]activity -0.3[/PROPERTY][PROPERTY]Other MS 101.02[/PROPERTY][PROPERTY]Other MS 103.02[/PROPERTY][PROPERTY]Other MS 105.01[/PROPERTY][PROPERTY]Other MS 127.0491 10.01[/PROPERTY][PROPERTY]Other MS 277.2173 10.01\n", - "GT: 1.1 Gen: 1.18 diff: 0.08 [START_SMILES]COc1cc2ncnc(NCc3cccc(C)c3)c2cc1OC[END_SMILES][PROPERTY]activity 1.18[/PROPERTY][PROPERTY]Other MS 186.17472[/PROPERTY][PROPERTY]Other MS 185.16472[/PROPERTY][PROPERTY]Other MS 184.17472[/PROPERTY][PROPERTY]Other MS 185.16472[/PROPERTY][PROPERTY]Other MS 185.164\n", - "GT: 1.13 Gen: 1.43 diff: 0.3 [START_SMILES]Cn1cncc1c2c3C(=O)N(C4CC4)C(=O)N(CC5CC5)c3nn2Cc6ccnc7ccc(Cl)cc67[END_SMILES][PROPERTY]activity 1.43[/PROPERTY][PROPERTY]GC-MS m/z Top Peak: 111[/PROPERTY][PROPERTY]GC-MS m/z 2nd Highest: 112[/PROPERTY][PROPERTY]GC-MS m/z\n", - "GT: -0.06 Gen: -0.89 diff: 0.83 [START_SMILES]CCc1c(C(=O)C(=O)N)c2c(OCC(=O)N)cccc2n1Cc3ccccc3[END_SMILES][PROPERTY]activity -0.89[/PROPERTY][PROPERTY]Other-1.04[/PROPERTY][PROPERTY]Other MS 100.02[/PROPERTY][PROPERTY]Other MS 359.1259 100[/PROPERTY][PROPERTY]Other MS 100.02[/PROPERTY][PROPERTY]Other MS\n", - "GT: 0.19 Gen: 0.85 diff: 0.66 [START_SMILES]Oc1ccc(cc1)C2CC(=O)c3ccc(O)cc3O2[END_SMILES][PROPERTY]activity 0.85[/PROPERTY][PROPERTY]Other MS 181.07[/PROPERTY][PROPERTY]Other MS 183.07[/PROPERTY][PROPERTY]Other MS 183.06[/PROPERTY][PROPERTY]Other MS 183.06[/PROPERTY][PROPERTY]Other MS 183.06[/PROPERTY][NUMHDONORS]2[/NUMHDONORS][NHOHCOUNT]2[/NHOHCOUNT][NUMHETEROATOMS]4[/NUMHETEROATOMS][NUMSATURATEDHETEROCYCLES]0\n", - "GT: -1.84 Gen: -0.67 diff: 1.17 [START_SMILES]CCC(N(CCCN)C(=O)c1ccc(C)cc1)C2=Nc3ncccc3C(=O)N2Cc4ccccc4[END_SMILES][PROPERTY]activity -0.67[/PROPERTY][PROPERTY]Other MS 143.0861[/PROPERTY][PROPERTY]Other MS 145.0861[/PROPERTY][PROPERTY]Other MS 144.0861[/PROPERTY][PROPERTY]Other MS 145.\n", - "GT: -1.88 Gen: -1.69 diff: 0.19 [START_SMILES]Cc1ccc2c(c1)c(Sc3ccc(cc3)S(=O)(=O)C)c(C)n2CC(=O)O[END_SMILES][PROPERTY]activity -1.69[/PROPERTY][PROPERTY]Other-1.69[/PROPERTY][PROPERTY]Other-1.69[/PROPERTY][PROPERTY]Other-1.69[/PROPERTY][PROPERTY]Other MS 101.02[/PROPERTY][PROPERTY]Other MS 103.02[/PROPERTY][PROPERTY]\n", - "GT: 0.72 Gen: 1.63 diff: 0.91 [START_SMILES]OCCCN(Cc1ccc(F)cc1)C(=O)CC2CCN(Cc3ccn(c3)c4ccc(cc4)C(F)(F)F)CC2[END_SMILES][PROPERTY]activity 1.63[/PROPERTY][PROPERTY]Other MS 115.07[/PROPERTY][PROPERTY]Other MS 113.06[/PROPERTY][PROPERTY]Other MS 111.05[/PROPERTY][PROPERTY]Other MS 11\n", - "GT: -0.73 Gen: -0.89 diff: 0.16 [START_SMILES]COC(=O)c1ccc(cc1)C(C)N2NC(=O)C3=C(C2=O)C(=O)c4ccc(Cl)cc4N3[END_SMILES][PROPERTY]activity -0.89[/PROPERTY][PROPERTY]-0.89[/PROPERTY][PROPERTY]-0.89[/PROPERTY][PROPERTY]-0.89[/PROPERTY][PROPERTY]-0.89[/PROPERTY][PROPERTY]-0.89[/PROPERTY][PROPERTY]-0.8\n", - "GT: 0.19 Gen: 0.77 diff: 0.58 [START_SMILES]Oc1cccc(NC(=O)c2ccc(OCCCN3CCCC3)cc2OCc4cccc(c4)C#N)c1[END_SMILES][PROPERTY]activity 0.77[/PROPERTY][PROPERTY]Other MS 105.07[/PROPERTY][PROPERTY]Other MS 103.07[/PROPERTY][PROPERTY]Other MS 105.07[/PROPERTY][PROPERTY]Other MS 103.07[/PROPERTY][NUMSATURATEDHETEROCYCLES]1[/NUMSATURATEDHETEROCYCLES][TPSA]107.7\n", - "GT: 0.6 Gen: 0.52 diff: 0.08 [START_SMILES]Cc1cnc(NC(=O)Cc2ccccc2)s1[END_SMILES][PROPERTY]activity 0.52[/PROPERTY][PROPERTY]Other MS 101.0651[/PROPERTY][PROPERTY]Other MS 103.0559 1[/PROPERTY][PROPERTY]Other MS 105.0651 100[/PROPERTY][PROPERTY]Other MS 103.0559 100[/PROPERTY][PROPERTY]Other MS 449.\n", - "GT: -1.37 Gen: -0.73 diff: 0.64 [START_SMILES]CN1CCC(=CC1)c2cccc(O)c2[END_SMILES][PROPERTY]activity -0.73[/PROPERTY][PROPERTY]Other-1.06[/PROPERTY][PROPERTY]Other MS 109.06[/PROPERTY][PROPERTY]Other MS 111.05[/PROPERTY][PROPERTY]Other MS 107.04[/PROPERTY][PROPERTY]Other MS 123.0575 1[/PROPERTY][PROPERTY]Other MS 109.06[/PROPERTY][PROPERTY]Other MS 10\n", - "GT: 1.57 Gen: 1.25 diff: 0.32 [START_SMILES]N(c1ccccc1)c2ccnc(Nc3ccccc3)n2[END_SMILES][PROPERTY]activity 1.25[/PROPERTY][PROPERTY]Other MS 117 1.25[/PROPERTY][PROPERTY]Other MS 119 1.25[/PROPERTY][PROPERTY]Other MS 119 1.25[/PROPERTY][PROPERTY]Other MS 119 1.25[/PROPERTY][PROPERTY]Other MS 119 1.25[/PROPERTY][PROPERTY]Other MS \n", - "GT: 0.6 Gen: 1.1 diff: 0.5 [START_SMILES]C[C@@H](N(CC1CCS(=O)(=O)CC1)C(=O)Cc2ccc(c(F)c2)C(F)(F)F)C3=Nc4ncccc4C(=O)N3c5ccc(Cl)cc5[END_SMILES][PROPERTY]activity 1.1[/PROPERTY][PROPERTY]Other MS 115.03[/PROPERTY][PROPERTY]Other MS 77.\n", - "GT: -2.51 Gen: -0.7 diff: 1.81 [START_SMILES]CNC1(C)C2CCC(C2)C1(C)C[END_SMILES][PROPERTY]activity -0.7[/PROPERTY][PROPERTY]Other MS -0.7[/PROPERTY][PROPERTY]Other MS 105.02[/PROPERTY][PROPERTY]Other MS 107.02[/PROPERTY][PROPERTY]Other MS 109.02[/PROPERTY][PROPERTY]Other MS 107.02[/PROPERTY][PROPERTY]Other MS 107.02[/PROPERTY][PROPERTY]Other MS 107\n", - "GT: -0.4 Gen: -0.19 diff: 0.21 [START_SMILES]CN1CCN(CC1)C(=O)c2cc3ccccc3[nH]2[END_SMILES][PROPERTY]activity -0.19[/PROPERTY][PROPERTY]Other MS -0.19[/PROPERTY][PROPERTY]Other MS 101 10[/PROPERTY][PROPERTY]Other MS 102 10[/PROPERTY][PROPERTY]Other MS 101 10[/PROPERTY][PROPERTY]Other MS 103 100[/PROPERTY][PROPERTY]Other MS 104 1\n", - "GT: -0.73 Gen: 0.27 diff: 1.0 [START_SMILES]CC(C)NC[C@@H](C(=O)N1CCN(CC1)c2ncnc3[C@H](O)C[C@@H](C)c23)c4ccc(Cl)cc4[END_SMILES][PROPERTY]activity 0.27[/PROPERTY][PROPERTY]Other MS 105.07[/PROPERTY][PROPERTY]Other MS 106.06[/PROPERTY][PROPERTY]Other MS 172.07\n", - "GT: 0.2 Gen: -0.15 diff: 0.35 [START_SMILES]COc1ccc(cc1)C(=O)C2CCN(CC2)C(=O)c3occc3[END_SMILES][PROPERTY]activity -0.15[/PROPERTY][PROPERTY]Other MS 101.03[/PROPERTY][PROPERTY]Other MS 103.04[/PROPERTY][PROPERTY]Other MS 115.03[/PROPERTY][PROPERTY]Other MS 116.04[/PROPERTY][PROPERTY]Other MS 102.04[/PROPERTY][PROPERTY]Other MS\n", - "GT: -0.73 Gen: -0.83 diff: 0.1 [START_SMILES]Cc1nc(C)c(nc1C(=O)N)c2ccc3c(CC[C@@]34CC[C@H](CC4)C(=O)O)c2[END_SMILES][PROPERTY]activity -0.83[/PROPERTY][PROPERTY]Other-0.84[/PROPERTY][PROPERTY]Other-0.85[/PROPERTY][PROPERTY]Other MS 100.02[/PROPERTY][PROPERTY]Other MS 77.02[/PROPERTY][PROPERTY]Other\n", - "GT: 1.27 Gen: 0.1 diff: 1.17 [START_SMILES]Cc1c(Sc2ccc(Cl)cc2)c3cc(ccc3n1CC(=O)O)c4ccccc4[END_SMILES][PROPERTY]activity 0.1[/PROPERTY][PROPERTY]Other MS 115.03[/PROPERTY][PROPERTY]Other MS 251.002 100[/PROPERTY][PROPERTY]Other MS 113.02[/PROPERTY][PROPERTY]Other MS 71.02[/PROPERTY][PROPERTY]Other MS 393.1\n", - "GT: 1.85 Gen: 1.35 diff: 0.5 [START_SMILES]Oc1ccccc1OC(=O)c2cccc3ccccc23[END_SMILES][PROPERTY]activity 1.35[/PROPERTY][PROPERTY]Other MS 191.0378 1.35[/PROPERTY][PROPERTY]Other MS 193.0178 1.35[/PROPERTY][PROPERTY]Other MS 191.0266 1.35[/PROPERTY][PROPERTY]Other MS 193.0178 1.35[/PROPERTY]\n", - "GT: 0.35 Gen: 0.44 diff: 0.09 [START_SMILES]CCN(C1CCN(CC[C@H](C2CCN(CC2)S(=O)(=O)C)c3cc(Cl)cc(Cl)c3)CC1)C(=O)Cc4ccc(cc4)S(=O)(=O)C[END_SMILES][PROPERTY]activity 0.44[/PROPERTY][PROPERTY]Other MS 101.06[/PROPERTY][PROPERTY]Other MS 11\n", - "GT: 0.4 Gen: 0.85 diff: 0.45 [START_SMILES]O=C(Nc1ccccc1)c2ccc(OCCCN3CCCC3)cc2OCc4ccccc4C#N[END_SMILES][PROPERTY]activity 0.85[/PROPERTY][PROPERTY]Other MS 191.1481 100[/PROPERTY][PROPERTY]Other MS 193.1581 100[/PROPERTY][PROPERTY]Other MS 193.1697 60.06[/PROPERTY][PROPERTY]Other MS \n", - "GT: 1.27 Gen: 0.69 diff: 0.58 [START_SMILES]COc1ccc(cc1)n2cnc3cc(NS(=O)(=O)c4ccccc4)ccc23[END_SMILES][PROPERTY]activity 0.69[/PROPERTY][PROPERTY]Other MS 101.06959[/PROPERTY][PROPERTY]Other MS 103.06959[/PROPERTY][PROPERTY]Other MS 104.06959[/PROPERTY][PROPERTY]Other MS 105.06959[/PROPERTY][PROPERTY]\n", - "GT: 0.49 Gen: 0.0 diff: 0.49 [START_SMILES]CNS(=O)(=O)c1ccc2C(=CNC(=O)c2c1)C(=O)NC[C@@H](O)CN3CCC(CC3)Oc4ccc(Cl)c(Cl)c4[END_SMILES][PROPERTY]activity 0.0[/PROPERTY][PROPERTY]Other MS 115.03[/PROPERTY][PROPERTY]Other MS 50.05[/PROPERTY][PROPERTY]Other MS 113.03\n", - "GT: 0.44 Gen: 0.35 diff: 0.09 [START_SMILES]OC(=O)c1ccc(NC(=O)c2cc(OCc3ccccc3)cc(OCc4ccccc4)c2)nc1[END_SMILES][PROPERTY]activity 0.35[/PROPERTY][PROPERTY]Other MS 10.06[/PROPERTY][PROPERTY]Other MS 29.03[/PROPERTY][PROPERTY]Other MS 10.06[/PROPERTY][PROPERTY]Other MS 52.01[/PROPERTY][PROPERTY]Other MS 69.01[/PROPERTY][PROPERTY]\n", - "GT: 1.04 Gen: 1.43 diff: 0.39 [START_SMILES]Cc1cc(CNc2ncc(Br)c(Nc3cc([nH]n3)C4CC4)n2)on1[END_SMILES][PROPERTY]activity 1.43[/PROPERTY][PROPERTY]GC-MS m/z Top Peak: 196[/PROPERTY][PROPERTY]GC-MS m/z 2nd Highest: 197[/PROPERTY][PROPERTY]GC-MS m/z 3rd Highest: 198[/PROPERTY][NHOHCOUNT]3[/NHOHCOUNT]\n", - "GT: 0.74 Gen: 0.44 diff: 0.3 [START_SMILES]Oc1cccc(NC(=O)c2ccc(OCCCN3CCCC3)cc2OCc4ccccc4)c1[END_SMILES][PROPERTY]activity 0.44[/PROPERTY][PROPERTY]Other MS 105.07[/PROPERTY][PROPERTY]Other MS 103.06[/PROPERTY][PROPERTY]Other MS 101.06[/PROPERTY][PROPERTY]Other MS 107.06[/PROPERTY][PROPERTY]Other MS 109.06[/PROPERTY][PROPERTY]Other MS\n", - "GT: -2.66 Gen: -1.89 diff: 0.77 [START_SMILES]Cc1ccc(cc1)C(=O)c2ccc(CC(=O)O)n2C[END_SMILES][PROPERTY]activity -1.89[/PROPERTY][PROPERTY]-1.89[/PROPERTY][PROPERTY]-1.89[/PROPERTY][PROPERTY]-1.89[/PROPERTY][PROPERTY]-1.89[/PROPERTY][PROPERTY]-1.89[/PROPERTY][PROPERTY]-1.89[/PROPERTY][PROPERTY]-1.89[/PROPERTY][PROPERTY]Other MS -1.89[/PROPERTY][PROPERTY]Other MS\n", - "GT: -1.17 Gen: -1.06 diff: 0.11 [START_SMILES]CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc4ccccc24)c(O)c1[END_SMILES][PROPERTY]activity -1.06[/PROPERTY][PROPERTY]Other-1.06[/PROPERTY][PROPERTY]Other MS 101.06[/PROPERTY][PROPERTY]Other MS 103.05[/PROPERTY][PROPERTY]Other MS 63.04[/PROPERTY][PROPERTY]Other MS 105.06[/PROPERTY]\n", - "GT: 0.19 Gen: -0.56 diff: 0.75 [START_SMILES]CNC1=Nc2ccc(Cl)cc2C(=[N+]([O-])C1)c3ccccc3[END_SMILES][PROPERTY]activity -0.56[/PROPERTY][PROPERTY]Other MS 155.0659[/PROPERTY][PROPERTY]Other MS 156.0659[/PROPERTY][PROPERTY]Other MS 154.0659[/PROPERTY][PROPERTY]Other MS 155.0659[/PROPERTY][PROPERTY]Other MS \n", - "GT: 0.44 Gen: 0.6 diff: 0.16 [START_SMILES]Oc1ccccc1CCC(=O)Nc2ccccc2[END_SMILES][PROPERTY]activity 0.6[/PROPERTY][PROPERTY]Other MS 101.07[/PROPERTY][PROPERTY]Other MS 103.06[/PROPERTY][PROPERTY]Other MS 105.06[/PROPERTY][PROPERTY]Other MS 107.05[/PROPERTY][PROPERTY]Other MS 105.06[/PROPERTY][PROPERTY]Other MS 107.05[/PROPERTY][PROPERTY]Other MS 105.06\n", - "GT: 1.32 Gen: 0.77 diff: 0.55 [START_SMILES]CSc1ccc2Sc3ccccc3N(CCC4CCCCN4C)c2c1[END_SMILES][PROPERTY]activity 0.77[/PROPERTY][PROPERTY]Other MS 101.06[/PROPERTY][PROPERTY]Other MS 103.06[/PROPERTY][PROPERTY]Other MS 105.06[/PROPERTY][PROPERTY]Other MS 104.05[/PROPERTY][PROPERTY]Other MS 105.06[/PROPERTY][PROPERTY]Other MS 105.06[/PROPERTY]\n", - "GT: 0.14 Gen: 0.85 diff: 0.71 [START_SMILES]Oc1ccc(cc1)C2=CC(=O)c3ccccc3N2[END_SMILES][PROPERTY]activity 0.85[/PROPERTY][PROPERTY]Other MS 180.04[/PROPERTY][PROPERTY]Other MS 181.0431 100[/PROPERTY][PROPERTY]Other MS 180.0431 30.03[/PROPERTY][PROPERTY]Other MS 182.0431 10.01[/PROPERTY][PROPERTY]Other\n", - "GT: -0.15 Gen: 0.19 diff: 0.34 [START_SMILES]NC(=O)c1ccn2c(c3ccccc3)c(nc2c1)c4ccc(cc4)C5(N)CCC5[END_SMILES][PROPERTY]activity 0.19[/PROPERTY][PROPERTY]Other MS 175.0358 100[/PROPERTY][PROPERTY]Other MS 193.1598 12.51[/PROPERTY][PROPERTY]Other MS 109.08[/PROPERTY][PROPERTY]Other MS \n", - "GT: -2.58 Gen: -1.98 diff: 0.6 [START_SMILES]OC(=O)C1CCn2c1ccc2C(=O)c3ccccc3[END_SMILES][PROPERTY]activity -1.98[/PROPERTY][PROPERTY]Other-1.14[/PROPERTY][PROPERTY]-1.14[/PROPERTY][PROPERTY]-1.14[/PROPERTY][PROPERTY]Other-1.14[/PROPERTY][PROPERTY]Other-1.14[/PROPERTY][PROPERTY]Other MS 101.02[/PROPERTY][PROPERTY]Other MS 102.02[/PROPERTY][PROPERTY]Other MS 1\n", - "GT: 1.77 Gen: 1.68 diff: 0.09 [START_SMILES]CC(C)C[C@H](CO)Nc1nc(S[C@@H](C)c2ccccc2)nc3NC(=O)Sc13[END_SMILES][PROPERTY]activity 1.68[/PROPERTY][PROPERTY]GC-MS m/z Top Peak: 129[/PROPERTY][PROPERTY]GC-MS m/z 2.6[/PROPERTY][/PROPERTY][PROPERTY]GC-MS m/z 3rd Highest: 127[/PROPERTY][NUMHDONORS]3\n", - "GT: -0.1 Gen: 0.05 diff: 0.15 [START_SMILES]COc1cc(F)ccc1c2cccc(CNC3CCCC3)n2[END_SMILES][PROPERTY]activity 0.05[/PROPERTY][PROPERTY]Other MS 177.1285 1[/PROPERTY][PROPERTY]Other MS 107.02[/PROPERTY][PROPERTY]Other MS 50[/PROPERTY][PROPERTY]Other MS 121.04[/PROPERTY][PROPERTY]Other MS 197.1391 100[/PROPERTY][PROPERTY]Other MS 119\n", - "GT: 0.7 Gen: 0.57 diff: 0.13 [START_SMILES]CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(N3Cc4ccncc4C3)c(F)c2[END_SMILES][PROPERTY]activity 0.57[/PROPERTY][PROPERTY]Other MS 141.0758 1.05[/PROPERTY][PROPERTY]Other MS 417.1991 1.05[/PROPERTY][PROPERTY]Other MS 76.02[/PROPERTY]\n", - "GT: -0.4 Gen: 0.02 diff: 0.42 [START_SMILES]NC1(CCC1)c2ccc(cc2)c3ncc4cccnc4c3c5ccccc5[END_SMILES][PROPERTY]activity 0.02[/PROPERTY][PROPERTY]Other MS 147.0758 30[/PROPERTY][PROPERTY]Other MS 177.0758 30[/PROPERTY][PROPERTY]Other MS 79.95906 30[/PROPERTY][PROPERTY]Other MS 79.95906 3\n", - "GT: 0.1 Gen: 0.59 diff: 0.49 [START_SMILES]C[C@@H]1CN(CCN1c2ncc(OCc3ccncc3C#N)cn2)C(=O)OCC(F)F[END_SMILES][PROPERTY]activity 0.59[/PROPERTY][PROPERTY]Other MS 115.07[/PROPERTY][PROPERTY]Other MS 114.0658 77[/PROPERTY][PROPERTY]Other MS 113.0658 52[/PROPERTY][PROPERTY]Other MS 1\n", - "GT: 0.68 Gen: -0.56 diff: 1.24 [START_SMILES]CNc1ccc2ncc(c3cccc(O)c3)n2n1[END_SMILES][PROPERTY]activity -0.56[/PROPERTY][PROPERTY]Other-0.56[/PROPERTY][PROPERTY]Other MS 101.02[/PROPERTY][PROPERTY]Other MS 103.02[/PROPERTY][PROPERTY]Other MS 127.02[/PROPERTY][PROPERTY]Other MS 143.1117 5.01[/PROPERTY][PROPERTY]Other MS 101.0\n", - "GT: -0.28 Gen: -0.23 diff: 0.05 [START_SMILES]Oc1ccc(CCNCCCS(=O)(=O)NCCOCCSc2ccccc2)c3sc(O)nc13[END_SMILES][PROPERTY]activity -0.23[/PROPERTY][PROPERTY]Other MS 105.03[/PROPERTY][PROPERTY]Other MS 213.01[/PROPERTY][PROPERTY]Other MS 59.01[/PROPERTY][PROPERTY]Other MS 105.03[/PROPERTY][PROPERTY]Other MS 225.08[/PROPERTY]\n", - "GT: 0.27 Gen: -0.23 diff: 0.5 [START_SMILES]CN(C1CCN(Cc2nc3CCCCc3s2)CC1)C(=O)Cc4ccc(cc4)n5cnnn5[END_SMILES][PROPERTY]activity -0.23[/PROPERTY][PROPERTY]Other MS 115.07[/PROPERTY][PROPERTY]Other MS 117.065 100[/PROPERTY][PROPERTY]Other MS 101.0651 100[/PROPERTY][PROPERTY]Other MS \n", - "GT: -0.89 Gen: -1.14 diff: 0.25 [START_SMILES]O[C@@H](CNCCc1ccc(CNCCc2ccccc2)cc1)c3ccc(O)c4NC(=O)Sc34[END_SMILES][PROPERTY]activity -1.14[/PROPERTY][PROPERTY]Other-1.14[/PROPERTY][PROPERTY]Other-1.14[/PROPERTY][PROPERTY]Other-1.14[/PROPERTY][PROPERTY]Other MS 119.07[/PROPERTY][PROPERTY]Other MS 117.06[/PROPERTY][PROPERTY]Other MS\n", - "GT: 0.09 Gen: -0.0 diff: 0.09 [START_SMILES]Clc1ccc2Oc3ccccc3N=C(N4CCNCC4)c2c1[END_SMILES][PROPERTY]activity -0.0[/PROPERTY][PROPERTY]Other MS 181.12[/PROPERTY][PROPERTY]Other MS 183.13[/PROPERTY][PROPERTY]Other MS 181.14[/PROPERTY][PROPERTY]Other MS 181.14[/PROPERTY][PROPERTY]Other MS 181.14[/PROPERTY][PROPERTY]Other MS 181.14\n", - "GT: 0.69 Gen: 0.3 diff: 0.39 [START_SMILES]Nc1ncccc1NCc2cccc(c2)c3cccnc3[END_SMILES][PROPERTY]activity 0.3[/PROPERTY][PROPERTY]Other MS 145.08[/PROPERTY][PROPERTY]Other MS 109.07[/PROPERTY][PROPERTY]Other MS 107.06[/PROPERTY][PROPERTY]Other MS 121.06[/PROPERTY][PROPERTY]Other MS 109.07[/PROPERTY][PROPERTY]Other MS 109.07[/PROPERTY][PROPERTY]Other MS 109\n", - "GT: 0.44 Gen: 0.19 diff: 0.25 [START_SMILES]O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N3CCC[C@H]3COc4ccccc4[END_SMILES][PROPERTY]activity 0.19[/PROPERTY][PROPERTY]GC-MS m1.18[/PROPERTY][PROPERTY]GC-0.19[/PROPERTY][PROPERTY]GC-0.19[/PROPERTY][PROPERTY]Other MS 101.02[/PROPERTY][PROPERTY]Other MS 102.02[/PROPERTY][PROPERTY]Other MS\n", - "GT: -0.19 Gen: -0.06 diff: 0.13 [START_SMILES]CC(C)CN1C(=O)N(C)C(=O)c2c1sc(Cc3ccnc4ccc(F)cc34)c2C(=O)N5CC[C@@H](O)C5[END_SMILES][PROPERTY]activity -0.06[/PROPERTY][PROPERTY]Other MS 105.02[/PROPERTY][PROPERTY]Other MS 417.099 1[/PROPERTY][PROPERTY]Other MS \n", - "GT: 1.17 Gen: 1.05 diff: 0.12 [START_SMILES]COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN4CCC[C@@H]4C(=O)N[END_SMILES][PROPERTY]activity 1.05[/PROPERTY][PROPERTY]Other MS 191.1481 1.05[/PROPERTY][PROPERTY]Other MS 183.1655 100[/PROPERTY][PROPERTY]Other MS 184.1707 71.43\n", - "GT: 0.12 Gen: -0.4 diff: 0.52 [START_SMILES]CCC(N(CCCN)C(=O)c1ccc(C)cc1)C2=Nc3ccsc3C(=O)N2Cc4ccc(Cl)cc4[END_SMILES][PROPERTY]activity -0.4[/PROPERTY][PROPERTY]Other MS 143.08[/PROPERTY][PROPERTY]Other MS 145.07[/PROPERTY][PROPERTY]Other MS 111.06[/PROPERTY][PROPERTY]Other MS 144.076 \n", - "GT: 0.52 Gen: 0.19 diff: 0.33 [START_SMILES]CCOC(=O)\\C=C\\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)c2cc(C)on2)C(C)C)Cc3ccc(F)cc3[END_SMILES][PROPERTY]activity 0.19[/PROPERTY][PROPERTY]Other MS 10.0[/PROPERTY]\n", - "GT: -2.53 Gen: -1.48 diff: 1.05 [START_SMILES]CC(=O)Nc1ccc2c(c1)c(cn2CCC(=O)O)c3cc(NC4CC4)n5ncc(C#N)c5n3[END_SMILES][PROPERTY]activity -1.48[/PROPERTY][PROPERTY]Other-2.22[/PROPERTY][PROPERTY]Other-1.48[/PROPERTY][PROPERTY]-1.48[/PROPERTY][PROPERTY]-1.48[/PROPERTY][PROPERTY]-1.48[/PROPERTY][PROPERTY]-1.4\n", - "GT: 1.9 Gen: 1.68 diff: 0.22 [START_SMILES]O[C@H](CNC(=O)N1C(=O)Nc2ccccc12)CN3CCC(CC3)Oc4ccc(Cl)c(Cl)c4[END_SMILES][PROPERTY]activity 1.68[/PROPERTY][PROPERTY]GHS Classification Warning[/PROPERTY][PROPERTY]GHS Classification H315 (100[/PROPERTY][PROPERTY]Other MS 323.2995 100[/PROPERTY][PROPERTY]Other MS 61\n", - "GT: 1.08 Gen: 0.79 diff: 0.29 [START_SMILES]CN1CCC[C@@H]1CCO[C@](C)(c2ccccc2)c3ccc(Cl)cc3[END_SMILES][PROPERTY]activity 0.79[/PROPERTY][PROPERTY]GHS Classification Warning[/PROPERTY][PROPERTY]GHS Classification H302 (100[/PROPERTY][PROPERTY]Other MS 115.0759 100[/PROPERTY][PROPERTY]Other MS 113.0675 100[/PROPERTY][PROPERTY]Other\n", - "GT: 0.9 Gen: 0.93 diff: 0.03 [START_SMILES]COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN(C)C[END_SMILES][PROPERTY]activity 0.93[/PROPERTY][PROPERTY]Other MS 197.19[/PROPERTY][PROPERTY]Other MS 199.18[/PROPERTY][PROPERTY]Other MS 199.18[/PROPERTY][PROPERTY]Other MS 197.19[/PROPERTY][PROPERTY]Other MS 197.19[/PROPERTY][PROPERTY]Other MS\n", - "GT: 1.05 Gen: 1.35 diff: 0.3 [START_SMILES]O=C(Nc1ccccc1)c2oc3ccccc3c2[END_SMILES][PROPERTY]activity 1.35[/PROPERTY][PROPERTY]Other MS 117 1.35[/PROPERTY][PROPERTY]Other MS 115 1.35[/PROPERTY][PROPERTY]Other MS 117 1.35[/PROPERTY][PROPERTY]Other MS 115 1.35[/PROPERTY][PROPERTY]Other MS 117 1.35[/PROPERTY][PROPERTY]Other MS 11\n", - "GT: 0.54 Gen: 0.77 diff: 0.23 [START_SMILES]CC(C)n1c(C)ncc1c2ccnc(Nc3ccc(cc3)S(=O)(=O)CC4CCCO4)n2[END_SMILES][PROPERTY]activity 0.77[/PROPERTY][PROPERTY]GC-MS m/z Top Peak[/PROPERTY][/PROPERTY][PROPERTY]GC-MS m/z 2nd Highest: 109[/PROPERTY][PROPERTY]GC-MS m/z 3rd Highest: 108[/PROPERTY][NUMHDONORS]\n", - "GT: 0.3 Gen: -0.4 diff: 0.7 [START_SMILES]Cc1cc(OC2CCN(CC3CCN(CC3)[C@@H](Cc4ccc(F)cc4)C(=O)O)CC2)ccc1Cl[END_SMILES][PROPERTY]activity -0.4[/PROPERTY][PROPERTY]Other-0.4[/PROPERTY][PROPERTY]Other MS -0.4[/PROPERTY][PROPERTY]Other MS 10.02[/PROPERTY][PROPERTY]Other MS 11.02[/PROPERTY][PROPERTY]Other MS 40.\n", - "GT: 1.18 Gen: 0.98 diff: 0.2 [START_SMILES]Cc1ccc(COC(=O)N2CCC(CNc3ncccn3)CC2)cc1[END_SMILES][PROPERTY]activity 0.98[/PROPERTY][PROPERTY]Other MS 171.1481 1[/PROPERTY][PROPERTY]Other MS 172.159 1[/PROPERTY][PROPERTY]Other MS 171.1481 1[/PROPERTY][PROPERTY]Other MS 171.1481 1[/PROPERTY][PROPERTY]Other MS\n", - "GT: 0.89 Gen: 0.93 diff: 0.04 [START_SMILES]CN1CCN(CC1)C2=Nc3ccccc3Oc4ccc(Cl)cc24[END_SMILES][PROPERTY]activity 0.93[/PROPERTY][PROPERTY]Other MS 171.1386 1[/PROPERTY][PROPERTY]Other MS 172.1438 1[/PROPERTY][PROPERTY]Other MS 173.1118 1[/PROPERTY][PROPERTY]Other MS 173.1118 1[/PROPERTY][PROPERTY]Other MS 1\n", - "GT: 0.47 Gen: 0.85 diff: 0.38 [START_SMILES]C[C@H](Nc1ccc2ncn(c3cc([nH]n3)C4CC4)c2n1)c5ncc(F)cn5[END_SMILES][PROPERTY]activity 0.85[/PROPERTY][PROPERTY]GC-MS m/z Top Peak: 119[/PROPERTY][PROPERTY]GC-0.85[/PROPERTY][PROPERTY]GC-0.86[/PROPERTY][PROPERTY]GC-0.86[/PROPERTY][PROPERTY]GC-0.87\n", - "GT: 0.93 Gen: 1.28 diff: 0.35 [START_SMILES]N\\C(=C(\\C#N)/c1ccccc1C(F)(F)F)\\Sc2ccc(N)cc2[END_SMILES][PROPERTY]activity 1.28[/PROPERTY][PROPERTY]GC-MS m/z Top Peak: 199[/PROPERTY][PROPERTY]GC-MS m/z 2.7[/PROPERTY][PROPERTY]GC-MS m/z 3rd Highest: 197[/PROPERTY][NUMHDONORS]2[/NUMHDONORS][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][TPSA]75\n", - "GT: -0.98 Gen: -0.89 diff: 0.09 [START_SMILES]Oc1ccc2C(=O)C=C(Oc2c1)N3CCOCC3[END_SMILES][PROPERTY]activity -0.89[/PROPERTY][PROPERTY]Other-1.04[/PROPERTY][PROPERTY]Other MS 101.01[/PROPERTY][PROPERTY]Other MS 103.01[/PROPERTY][PROPERTY]Other MS 105.01[/PROPERTY][PROPERTY]Other MS 104.01[/PROPERTY][PROPERTY]Other MS 106.01[/PROPERTY][PROPERTY]Other\n", - "GT: 0.3 Gen: 0.44 diff: 0.14 [START_SMILES]Cc1ccccc1C[C@H](N2CCC(CN3CCC(CC3)Oc4ccc(Cl)c(Cl)c4)CC2)C(=O)O[END_SMILES][PROPERTY]activity 0.44[/PROPERTY][PROPERTY]Other MS 115.07[/PROPERTY][PROPERTY]Other MS 105.06[/PROPERTY][PROPERTY]Other MS 106.06[/PROPERTY][PROPERTY]Other MS 255.069\n", - "GT: -1.15 Gen: -0.98 diff: 0.17 [START_SMILES]NC(=O)N1c2ccccc2C[C@H](O)c3ccccc13[END_SMILES][PROPERTY]activity -0.98[/PROPERTY][PROPERTY]Chemical Classes Dyes -1.48[/PROPERTY][PROPERTY]Other-1.48[/PROPERTY][PROPERTY]Other-1.48[/PROPERTY][PROPERTY]Other-1.48[/PROPERTY][PROPERTY]Other MS 101.03[/PROPERTY][PROPERTY]Other MS 129.03[/PROPERTY][PROPERTY]Other MS \n", - "GT: -2.5 Gen: -2.57 diff: 0.07 [START_SMILES]Cc1c(c2c(NS(=O)(=O)C)cccc2n1CC(=O)O)S(=O)(=O)c3ccc(Cl)cc3[END_SMILES][PROPERTY]activity -2.57[/PROPERTY][PROPERTY]-2.57[/PROPERTY][PROPERTY]-2.57[/PROPERTY][PROPERTY]-2.57[/PROPERTY][PROPERTY]-2.57[/PROPERTY][PROPERTY]-2.57[/PROPERTY][PROPERTY]-2.57\n", - "GT: 0.07 Gen: -0.03 diff: 0.1 [START_SMILES]CC(C)n1c(C)ncc1c2nc(Nc3ccc(C(=O)NCCN(C)C)c(F)c3)ncc2F[END_SMILES][PROPERTY]activity -0.03[/PROPERTY][PROPERTY]Other MS 105.07[/PROPERTY][PROPERTY]Other MS 70.06[/PROPERTY][PROPERTY]Other MS 106.05[/PROPERTY][PROPERTY]Other MS 128.06[/PROPERTY][PROPERTY]\n", - "GT: 0.77 Gen: 0.85 diff: 0.08 [START_SMILES]COc1cc(ccc1Nc2ncc(Cl)c(n2)c3cnc4c(CO)cccn34)N5CCN(CC5)C(=O)C[END_SMILES][PROPERTY]activity 0.85[/PROPERTY][PROPERTY]Other MS 115.07[/PROPERTY][PROPERTY]Other MS 114.06[/PROPERTY][PROPERTY]Other MS 107.06[/PROPERTY][PROPERTY]Other MS 127.06\n", - "GT: 0.98 Gen: 1.02 diff: 0.04 [START_SMILES]Cc1ccc(cc1c2ccc(nc2)C(=O)NCC3CC3)C(=O)NC4CC4[END_SMILES][PROPERTY]activity 1.02[/PROPERTY][PROPERTY]GC-MS m/z1[/PROPERTY][PROPERTY]GC-MS m/z1[/PROPERTY][PROPERTY]GC-MS m/z1[/PROPERTY][PROPERTY]GC-MS m/z1[/PROPERTY][PROPERTY]GC-MS m/z1[/PROPERTY][PROPERTY]GC-MS m/z1[/PROPERTY][PROPERTY]GC\n", - "GT: 0.51 Gen: 0.69 diff: 0.18 [START_SMILES]CCN(C)C(=O)c1ccc(cc1)C(=C2CCN(Cc3ccc(F)cc3)CC2)c4ccccc4NC(=O)C[END_SMILES][PROPERTY]activity 0.69[/PROPERTY][PROPERTY]Other MS 101.06[/PROPERTY][PROPERTY]Other MS 103.06[/PROPERTY][PROPERTY]Other MS 105.06[/PROPERTY][PROPERTY]Other MS 106.\n", - "GT: -1.36 Gen: -1.98 diff: 0.62 [START_SMILES]CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC[END_SMILES][PROPERTY]activity -1.98[/PROPERTY][PROPERTY]Other-1.98[/PROPERTY][PROPERTY]Other-1.98[/PROPERTY][PROPERTY]Other-1.98[/PROPERTY][PROPERTY]Other-1.98[/PROPERTY][PROPERTY]Other MS 101.02[/PROPERTY][PROPERTY]Other MS 113.02[/PROPERTY][PROPERTY]Other MS 115.02[/PROPERTY]\n", - "GT: 0.85 Gen: 0.15 diff: 0.7 [START_SMILES]Nc1ncc(cc1c2oc3ccccc3n2)c4cnn(c4)C5CCN(CC5)C(=O)CO[END_SMILES][PROPERTY]activity 0.15[/PROPERTY][PROPERTY]Other MS 115.0759 1[/PROPERTY][PROPERTY]Other MS 116.06[/PROPERTY][PROPERTY]Other MS 107.06[/PROPERTY][PROPERTY]Other MS 109.06[/PROPERTY][PROPERTY]Other MS\n", - "GT: -0.14 Gen: -0.0 diff: 0.14 [START_SMILES]NC(=O)c1cnc(N[C@H]2CCCNC2)c3cc(sc13)c4ccc(F)cc4[END_SMILES][PROPERTY]activity -0.0[/PROPERTY][PROPERTY]Other MS 115.07[/PROPERTY][PROPERTY]Other MS 113.06[/PROPERTY][PROPERTY]Other MS 114.05[/PROPERTY][PROPERTY]Other MS 116.04[/PROPERTY][PROPERTY]Other MS 116.\n", - "GT: -1.25 Gen: -0.56 diff: 0.69 [START_SMILES]CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(N3CCOCC3)c(F)c2[END_SMILES][PROPERTY]activity -0.56[/PROPERTY][PROPERTY]GHS Classification D171[/PROPERTY][PROPERTY]GHS Classification D172[/PROPERTY][PROPERTY]GHS Classification D173[/PROPERTY][PROPERTY]GHS Classification D174[/PROPERTY][PROPERTY]GHS Classification D175[/PROPERTY][PROPERTY]GHS Classification D\n", - "GT: -0.64 Gen: 1.35 diff: 1.99 [START_SMILES]CCOc1ccc(cc1)N2C(=O)c3cccnc3N=C2[C@@H](C)N(CC4CCN(C)CC4)C(=O)Cc5ccc(F)c(c5)C(F)(F)F[END_SMILES][PROPERTY]activity 1.35[/PROPERTY][PROPERTY]Other MS 105[/PROPERTY][PROPERTY]Other MS 103[/PROPERTY][PROPERTY]Other MS 2\n", - "GT: -1.07 Gen: -0.4 diff: 0.67 [START_SMILES]CNCCCC12CCC(c3ccccc13)c4ccccc24[END_SMILES][PROPERTY]activity -0.4[/PROPERTY][PROPERTY]Other MS 105.07[/PROPERTY][PROPERTY]Other MS 119.06[/PROPERTY][PROPERTY]Other MS 133.057 1[/PROPERTY][PROPERTY]Other MS 119.06[/PROPERTY][PROPERTY]Other MS 119.057 1[/PROPERTY][PROPERTY]Other MS 119.0\n", - "GT: 0.93 Gen: 0.19 diff: 0.74 [START_SMILES]CN1CCOc2cc(OC(=O)c3ccccc3)cnc12[END_SMILES][PROPERTY]activity 0.19[/PROPERTY][PROPERTY]Other MS 109.07[/PROPERTY][PROPERTY]Other MS 107.06[/PROPERTY][PROPERTY]Other MS 111.055 2[/PROPERTY][PROPERTY]Other MS 109.07[/PROPERTY][PROPERTY]Other MS 109.07[/PROPERTY][PROPERTY]Other MS 111.07\n", - "GT: -0.06 Gen: -0.06 diff: 0.0 [START_SMILES]CC(C)n1c(C)ncc1c2ccnc(Nc3ccc(cc3)C(=O)N4CCN(C)CC4)n2[END_SMILES][PROPERTY]activity -0.06[/PROPERTY][PROPERTY]Other MS 101.06[/PROPERTY][PROPERTY]Other MS 103.05[/PROPERTY][PROPERTY]Other MS 105.06[/PROPERTY][PROPERTY]Other MS 106.06[/PROPERTY][PROPERTY]Other MS\n", - "GT: 1.1 Gen: 0.6 diff: 0.5 [START_SMILES]OCC(O)COC(=O)c1ccccc1Nc2ccnc3cc(Cl)ccc23[END_SMILES][PROPERTY]activity 0.6[/PROPERTY][PROPERTY]Other MS 171.02[/PROPERTY][PROPERTY]Other MS 172.02[/PROPERTY][PROPERTY]Other MS 211.0557 100[/PROPERTY][PROPERTY]Other MS 238.2215 77.71[/PROPERTY][PROPERTY]Other MS 1\n", - "GT: -1.14 Gen: -0.89 diff: 0.25 [START_SMILES]CC(=O)C1=C(C)c2cnc(Nc3ccc(cn3)N4CCNCC4)nc2N(C5CCCC5)C1=O[END_SMILES][PROPERTY]activity -0.89[/PROPERTY][PROPERTY]Other-1.04[/PROPERTY][PROPERTY]Other MS 144.0272[/PROPERTY][PROPERTY]-1.04[/PROPERTY][PROPERTY]Other MS 102.0447 0.1\n", - "GT: -2.88 Gen: -1.64 diff: 1.24 [START_SMILES]CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(O)c3ccccc3[END_SMILES][PROPERTY]activity -1.64[/PROPERTY][PROPERTY]Other-1.48[/PROPERTY][PROPERTY]-1.48[/PROPERTY][PROPERTY]-1.48[/PROPERTY][PROPERTY]-1.48[/PROPERTY][PROPERTY]-1.48[/PROPERTY][PROPERTY]-1.48[/PROPERTY][PROPERTY]-1.48[/PROPERTY]\n", - "GT: -3.04 Gen: -2.12 diff: 0.92 [START_SMILES]SC1=Nc2[nH]cnc2C(=O)N1[END_SMILES][PROPERTY]activity -2.12[/PROPERTY][PROPERTY]Other-2.12[/PROPERTY][PROPERTY]-1.48[/PROPERTY][PROPERTY]-1.48[/PROPERTY][PROPERTY]-1.48[/PROPERTY][PROPERTY]-1.48[/PROPERTY][PROPERTY]-1.48[/PROPERTY][PROPERTY]-1.48[/PROPERTY][PROPERTY]-1.48[/PROPERTY][PROPERTY]-1.48[/PROPERTY][PROPERTY]-1.48\n", - "GT: 0.85 Gen: 0.19 diff: 0.66 [START_SMILES]NC1(CCC1)c2ccc(cc2)c3nn4ccccc4c3c5ccccc5[END_SMILES][PROPERTY]activity 0.19[/PROPERTY][PROPERTY]Other MS 191.1481 100[/PROPERTY][PROPERTY]Other MS 193.1481 15.31[/PROPERTY][PROPERTY]Other MS 179.1481 15.31[/PROPERTY][PROPERTY]Other MS 165.\n", - "GT: 0.93 Gen: 1.68 diff: 0.75 [START_SMILES]CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C[END_SMILES][PROPERTY]activity 1.68[/PROPERTY][PROPERTY]GC-MS m1.68[/PROPERTY][PROPERTY]GC-MS m11.11[/PROPERTY][PROPERTY]Other MS 111.1118 \n", - "GT: -0.15 Gen: -0.56 diff: 0.41 [START_SMILES]CCN(CC)c1ccc2C=C(C(=O)C)C(=O)Oc2c1[END_SMILES][PROPERTY]activity -0.56[/PROPERTY][PROPERTY]Other MS 101.03[/PROPERTY][PROPERTY]Other MS 103.02[/PROPERTY][PROPERTY]Other MS 105.01[/PROPERTY][PROPERTY]Other MS 104.02[/PROPERTY][PROPERTY]Other MS 127.0481 1[/PROPERTY][PROPERTY]\n", - "GT: -2.62 Gen: -2.51 diff: 0.11 [START_SMILES]CC(C)NCC(O)COc1nccs1[END_SMILES][PROPERTY]activity -2.51[/PROPERTY][PROPERTY]Other-2.21[/PROPERTY][PROPERTY]-1.61[/PROPERTY][PROPERTY]-1.61[/PROPERTY][PROPERTY]-1.61[/PROPERTY][PROPERTY]Other MS -101.03[/PROPERTY][PROPERTY]Other MS -103.04[/PROPERTY][PROPERTY]Other MS -101.04[/PROPERTY][PROPERTY]Other MS 103.\n", - "GT: 0.79 Gen: 0.85 diff: 0.06 [START_SMILES]CS(=O)(=O)c1cccc(Nc2nccc(Nc3c(Cl)ccc4OCOc34)n2)c1[END_SMILES][PROPERTY]activity 0.85[/PROPERTY][PROPERTY]Other MS 195.0384 1[/PROPERTY][PROPERTY]Other MS 195.0384 1[/PROPERTY][PROPERTY]Other MS 195.0384 1[/PROPERTY][PROPERTY]Other MS 195.\n", - "GT: -0.64 Gen: -0.77 diff: 0.13 [START_SMILES]CC(C)(C)NS(=O)(=O)c1cncc(c1)c2ccc3nc(N)nn3c2[END_SMILES][PROPERTY]activity -0.77[/PROPERTY][PROPERTY]Other MS 151.03218 100[/PROPERTY][PROPERTY]Other MS 109.03924 20.02[/PROPERTY][PROPERTY]Other MS 60.03[/PROPERTY][PROPERTY]Other MS 1\n", - "GT: -0.2 Gen: 0.69 diff: 0.89 [START_SMILES]C[C@@H]1CN(CCN1C(=O)[C@@H]2CCCC[C@H]2C(=O)NC3(CC3)C#N)c4ccc5c(C)nnc(C)c5c4[END_SMILES][PROPERTY]activity 0.69[/PROPERTY][PROPERTY]Other MS 115.07[/PROPERTY][PROPERTY]Other MS 116.06[/PROPERTY][PROPERTY]Other MS 1\n", - "GT: 0.08 Gen: 0.15 diff: 0.07 [START_SMILES]CC1=CN([C@H]2CCCN(C2)S(=O)(=O)c3ccc(O)c(Oc4cccc(c4)C(F)(F)F)c3)C(=O)NC1=O[END_SMILES][PROPERTY]activity 0.15[/PROPERTY][PROPERTY]Other MS 115.03[/PROPERTY][PROPERTY]Other MS 113.03[/PROPERTY][PROPERTY]Other MS 51\n", - "GT: -0.02 Gen: 0.27 diff: 0.29 [START_SMILES]C[C@@H](NC(=O)[C@H]1CCCCN1)c2ccc(Nc3ncc4cc(ccc4n3)c5ccncc5)cc2[END_SMILES][PROPERTY]activity 0.27[/PROPERTY][PROPERTY]Other MS 181.1598 100[/PROPERTY][PROPERTY]Other MS 181.1598 20.02[/PROPERTY][PROPERTY]Other MS 18\n", - "GT: -0.25 Gen: 0.69 diff: 0.94 [START_SMILES]Oc1ccc2C(=O)C(=COc2c1)c3ccc(O)c(O)c3[END_SMILES][PROPERTY]activity 0.69[/PROPERTY][PROPERTY]Other MS 181.0431 0.52[/PROPERTY][PROPERTY]Other MS 183.0431 0.52[/PROPERTY][PROPERTY]Other MS 183.0431 0.52[/PROPERTY][PROPERTY]Other MS 18\n", - "GT: -0.08 Gen: -0.4 diff: 0.32 [START_SMILES]Cc1cc(OC2CCN(CC3CCN(CC3)[C@@](C)(Cc4ccc(F)cc4)C(=O)O)CC2)ccc1Cl[END_SMILES][PROPERTY]activity -0.4[/PROPERTY][PROPERTY]Other MS -0.4[/PROPERTY][PROPERTY]Other MS 10.02[/PROPERTY][PROPERTY]Other MS 11.02[/PROPERTY][PROPERTY]Other MS 10.02[/PROPERTY][PROPERTY]Other\n", - "GT: -1.0 Gen: -0.56 diff: 0.44 [START_SMILES]Cc1nnsc1C(=O)Nc2ccccc2[END_SMILES][PROPERTY]activity -0.56[/PROPERTY][PROPERTY]Other-0.56[/PROPERTY][PROPERTY]Other MS 101.03[/PROPERTY][PROPERTY]Other MS 102.02[/PROPERTY][PROPERTY]Other MS 144.0272 5.01[/PROPERTY][PROPERTY]Other MS 100.0272 5.01[/PROPERTY][PROPERTY]Other MS 100\n", - "GT: 0.93 Gen: 0.93 diff: 0.0 [START_SMILES]Nc1nc2cc3CCN(Cc4cccc(F)c4)CCc3cc2s1[END_SMILES][PROPERTY]activity 0.93[/PROPERTY][PROPERTY]Other MS 170.17[/PROPERTY][PROPERTY]Other MS 171.12[/PROPERTY][PROPERTY]Other MS 147.11[/PROPERTY][PROPERTY]Other MS 111.0757 100[/PROPERTY][PROPERTY]Other MS 109.06[/PROPERTY][PROPERTY]Other MS\n", - "GT: 0.73 Gen: 0.85 diff: 0.12 [START_SMILES]Fc1ccccc1Nc2oc(nn2)C(=O)Nc3ccc(cc3)N4CCOCC4[END_SMILES][PROPERTY]activity 0.85[/PROPERTY][PROPERTY]MS-MS m/z1[/PROPERTY][PROPERTY]MS-MS m/z1[/PROPERTY][PROPERTY]MS-MS m/z1[/PROPERTY][PROPERTY]MS-MS m/z1[/PROPERTY][PROPERTY]MS-MS m/z1[/PROPERTY][PROPERTY]MS-MS m/z1[/PROPERTY][PROPERTY]MS-MS m/\n", - "GT: -2.54 Gen: -0.55 diff: 1.99 [START_SMILES]CN(C)c1ccc2N=C3C=CC(=[N+](C)C)C=C3Sc2c1[END_SMILES][PROPERTY]activity -0.55[/PROPERTY][PROPERTY]Other MS 191.0556 1[/PROPERTY][PROPERTY]Other MS 193.0556 1[/PROPERTY][PROPERTY]Other MS 193.0556 1[/PROPERTY][PROPERTY]Other MS 193.05\n", - "GT: 1.02 Gen: 1.0 diff: 0.02 [START_SMILES]COc1cc2ncc(C(=O)N)c(Nc3cccc(Cl)c3Cl)c2cc1OC[END_SMILES][PROPERTY]activity 1.0[/PROPERTY][PROPERTY]Other MS 141.02[/PROPERTY][PROPERTY]Other MS 143.04[/PROPERTY][PROPERTY]Other MS 144.0649 5.01[/PROPERTY][PROPERTY]Other MS 417.099[/PROPERTY][PROPERTY]Other MS 141\n", - "GT: -0.05 Gen: -0.4 diff: 0.35 [START_SMILES]CN1C[C@@H](c2ccccc2)c3cccc(N)c3C1[END_SMILES][PROPERTY]activity -0.4[/PROPERTY][PROPERTY]Other-0.4[/PROPERTY][/PROPERTY][PROPERTY]Other MS 101.02[/PROPERTY][PROPERTY]Other MS 113.02[/PROPERTY][PROPERTY]Other MS 115.01[/PROPERTY][PROPERTY]Other MS 117.01[/PROPERTY][PROPERTY]Other MS 119.01[/PROPERTY][PROPERTY]Other\n", - "GT: 0.24 Gen: 0.85 diff: 0.61 [START_SMILES]COc1cccc(c1)C(=O)NCCCOc2cccc3ccc(N)nc23[END_SMILES][PROPERTY]activity 0.85[/PROPERTY][PROPERTY]Other MS 180.1747 1[/PROPERTY][PROPERTY]Other MS 182.1857 1[/PROPERTY][PROPERTY]Other MS 307.1996 1[/PROPERTY][PROPERTY]Other MS 416.2797 1[/PROPERTY][PROPERTY]Other MS\n", - "GT: -1.24 Gen: -1.22 diff: 0.02 [START_SMILES]C(Oc1cccc2ccccc12)C3=NCCN3[END_SMILES][PROPERTY]activity -1.22[/PROPERTY][PROPERTY]Other MS -1.22[/PROPERTY][PROPERTY]Other MS -1.22[/PROPERTY][PROPERTY]Other MS 101.02[/PROPERTY][PROPERTY]Other MS 103.02[/PROPERTY][PROPERTY]Other MS 105.01[/PROPERTY][PROPERTY]Other MS 105.01[/PROPERTY][PROPERTY]Other MS 105\n", - "GT: -2.79 Gen: -2.69 diff: 0.1 [START_SMILES]COc1cc(OC)c(cc1NC(=O)CSCC(=O)O)S(=O)(=O)N2C(C)CCc3ccccc23[END_SMILES][PROPERTY]activity -2.69[/PROPERTY][PROPERTY]-2.69[/PROPERTY][PROPERTY]-2.69[/PROPERTY][PROPERTY]-2.69[/PROPERTY][PROPERTY]-2.69[/PROPERTY][PROPERTY]-2.69[/PROPERTY][PROPERTY]-2.69[/PROPERTY][PROPERTY]\n", - "GT: 0.93 Gen: 0.35 diff: 0.58 [START_SMILES]CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC3Cc4ccccc4C3[END_SMILES][PROPERTY]activity 0.35[/PROPERTY][PROPERTY]LC-MS 137.08699[/PROPERTY][PROPERTY]LC-0.35[/PROPERTY][PROPERTY]Other MS 138.0869\n", - "GT: 0.1 Gen: 0.01 diff: 0.09 [START_SMILES]NC1=CC2=NNC(=O)N2c3cc(ccc13)c4ccc[nH]4[END_SMILES][PROPERTY]activity 0.01[/PROPERTY][PROPERTY]Other MS 173.1175 10.01[/PROPERTY][PROPERTY]Other MS 53.01[/PROPERTY][PROPERTY]Other MS 77.01[/PROPERTY][PROPERTY]Other MS 101.01[/PROPERTY][PROPERTY]Other MS 103.01\n", - "GT: -0.17 Gen: -0.35 diff: 0.18 [START_SMILES]OC1=CC(=O)C2=C(O1)c3ccccc3N(Cc4ccccc4)C2=O[END_SMILES][PROPERTY]activity -0.35[/PROPERTY][PROPERTY]Other MS 101.02[/PROPERTY][PROPERTY]Other MS 103.02[/PROPERTY][PROPERTY]Other MS 104.02[/PROPERTY][PROPERTY]Other MS 115.02[/PROPERTY][PROPERTY]Other MS 105.02[/PROPERTY]\n", - "GT: 0.95 Gen: 1.18 diff: 0.23 [START_SMILES]CCCS(=O)(=O)c1ccc(cc1)C(CNS(=O)(=O)c2ccc(cc2)C(F)(F)F)N3CCCCCC3[END_SMILES][PROPERTY]activity 1.18[/PROPERTY][PROPERTY]GC-MS m/z Top Peak: 184[/PROPERTY][PROPERTY]GC-MS m/z 2nd Highest: 185[/PROPERTY][PROPERTY]GC-MS m/z\n", - "GT: 1.63 Gen: 1.52 diff: 0.11 [START_SMILES]CCN1C(=O)N(CC2CC2)c3nn(Cc4ccnc5ccc(Cl)cc45)c(c3C1=O)c6cc(cn6C)C#N[END_SMILES][PROPERTY]activity 1.52[/PROPERTY][PROPERTY]GHS Classification D131[/PROPERTY][PROPERTY]GHS Classification D131[/PROPERTY][PROPERTY]GHS Classification D131[/PROPERTY][PROPERTY]GHS Classification D131[/PROPERTY][PROPERTY]\n", - "GT: -0.85 Gen: -0.15 diff: 0.7 [START_SMILES]Fc1cc(Oc2ccc(cc2c3ccnnc3)C(F)(F)F)c(Cl)cc1S(=O)(=O)Nc4nncs4[END_SMILES][PROPERTY]activity -0.15[/PROPERTY][PROPERTY]Other MS 101.03[/PROPERTY][PROPERTY]Other MS 417.9748 100[/PROPERTY][PROPERTY]Other MS 101.03[/PROPERTY][PROPERTY]Other MS \n", - "GT: -1.31 Gen: -1.15 diff: 0.16 [START_SMILES]Clc1ccc(cc1)C(=O)N[C@H]2CN3CCC2CC3[END_SMILES][PROPERTY]activity -1.15[/PROPERTY][PROPERTY]GHS Classification-1.15[/PROPERTY][PROPERTY]GHS Classification-1.15[/PROPERTY][PROPERTY]GHS Classification-1.15[/PROPERTY][PROPERTY]GHS Classification-1.15[/PROPERTY][PROPERTY]GHS Classification-1.15[/PROPERTY][PROPERTY]GHS Classification-1.15[/PROPERTY][PROPERTY]GHS\n", - "GT: -0.56 Gen: 0.27 diff: 0.83 [START_SMILES]OC1(CN2CCC1CC2)c3ccc(cc3)c4ccccc4[END_SMILES][PROPERTY]activity 0.27[/PROPERTY][PROPERTY]Other MS 101.06[/PROPERTY][PROPERTY]Other MS 103.06[/PROPERTY][PROPERTY]Other MS 115.05[/PROPERTY][PROPERTY]Other MS 105.06[/PROPERTY][PROPERTY]Other MS 106.06[/PROPERTY][PROPERTY]Other MS 105.06[/PROPERTY][PROPERTY]Other\n", - "GT: -0.06 Gen: -0.35 diff: 0.29 [START_SMILES]OC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1[END_SMILES][PROPERTY]activity -0.35[/PROPERTY][PROPERTY]Other-0.35[/PROPERTY][PROPERTY]Other MS 101.06[/PROPERTY][PROPERTY]Other MS 103.06[/PROPERTY][PROPERTY]Other MS 101.06[/PROPERTY][PROPERTY]Other MS 103.06[/PROPERTY][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][NOCOUNT]5[/NOCOUNT][NUMROTATABLEBONDS]9[/NUMROTATABLEBONDS][NHOHCOUNT]3\n", - "GT: -0.32 Gen: -0.48 diff: 0.16 [START_SMILES]Fc1ccc(cc1)S(=O)(=O)NC(=O)N2CCC(CC2)N3CCC(CC3)Oc4ccc(Cl)c(Cl)c4[END_SMILES][PROPERTY]activity -0.48[/PROPERTY][PROPERTY]GC-MS m/z Top Peak: 199[/PROPERTY][PROPERTY]GC-MS m/z 0.99[/PROPERTY][PROPERTY]GC-MS m/z 0.99[/PROPERTY][PROPERTY]\n", - "GT: -0.98 Gen: -1.64 diff: 0.66 [START_SMILES]Cc1ncc(nc1C(=O)N)c2ccc(cc2)[C@@H]3CC[C@@H](CC(=O)O)CC3[END_SMILES][PROPERTY]activity -1.64[/PROPERTY][PROPERTY]Physical Description Solid[/PROPERTY][PROPERTY]MS-MS-1.33[/PROPERTY][PROPERTY]MS-1.33[/PROPERTY][PROPERTY]MS-1.34[/PROPERTY][PROPERTY]MS-1.34[/PROPERTY][PROPERTY]MS-1.3\n", - "GT: 0.35 Gen: -0.56 diff: 0.91 [START_SMILES]CS(=O)(=O)C1(CC1)c2cc(nc(n2)c3ccccc3)N4CCOCC4[END_SMILES][PROPERTY]activity -0.56[/PROPERTY][PROPERTY]Other MS 101.02[/PROPERTY][PROPERTY]Other MS 103.02[/PROPERTY][PROPERTY]Other MS 105.02[/PROPERTY][PROPERTY]Other MS 104.02[/PROPERTY][PROPERTY]Other MS 129.0\n", - "GT: 0.55 Gen: -0.4 diff: 0.95 [START_SMILES]OC(=O)c1cccc(c1)c2ccc3c(C(=O)NCC45CC6CC(CC(C6)C4)C5)c(Cl)ccc3n2[END_SMILES][PROPERTY]activity -0.4[/PROPERTY][PROPERTY]Other-0.4[/PROPERTY][PROPERTY]Other MS 10.27[/PROPERTY][PROPERTY]Other MS 10.27[/PROPERTY][PROPERTY]Other MS 10.27[/PROPERTY][PROPERTY]Other MS\n", - "GT: 0.73 Gen: 1.27 diff: 0.54 [START_SMILES]OCCN1C(=O)C(Cc2ccccc12)NC(=O)c3cc4cc(Cl)sc4[nH]3[END_SMILES][PROPERTY]activity 1.27[/PROPERTY][PROPERTY]Other MS 181.03[/PROPERTY][PROPERTY]Other MS 181.03[/PROPERTY][PROPERTY]Other MS 181.03[/PROPERTY][PROPERTY]Other MS 181.03[/PROPERTY][PROPERTY]Other MS 181\n", - "GT: -0.38 Gen: -0.48 diff: 0.1 [START_SMILES]COc1ccc2C(=CC(=O)N(CCN3CCC(CC3)NCc4cc5OCCOc5cn4)c2c1)C[END_SMILES][PROPERTY]activity -0.48[/PROPERTY][PROPERTY]Other-1.14[/PROPERTY][PROPERTY]-0.38[/PROPERTY][PROPERTY]-0.38[/PROPERTY][PROPERTY]-0.38[/PROPERTY][PROPERTY]-0.38[/PROPERTY][PROPERTY]-0.38[/PROPERTY][PROPERTY]-0.3\n", - "GT: 0.03 Gen: 0.79 diff: 0.76 [START_SMILES]Oc1ccc(CCNCCCCCCOCCc2ccccc2)c3sc(O)nc13[END_SMILES][PROPERTY]activity 0.79[/PROPERTY][PROPERTY]Other MS 180.1747 1[/PROPERTY][PROPERTY]Other MS 181.1866 1[/PROPERTY][PROPERTY]Other MS 181.1866 1[/PROPERTY][PROPERTY]Other MS 181.1866 1[/PROPERTY][PROPERTY]Other MS \n", - "GT: 0.48 Gen: 0.35 diff: 0.13 [START_SMILES]CCN(CC)CCNC(=O)c1c(C)[nH]c(\\C=C\\2/C(=O)Nc3ccc(Cl)cc23)c1C[END_SMILES][PROPERTY]activity 0.35[/PROPERTY][PROPERTY]GC-MS m/z Top Peak: 115[/PROPERTY][PROPERTY]GC-MS m/z 2.1[/PROPERTY][PROPERTY]GC-MS m/z 3rd Highest: 1\n", - "GT: -2.51 Gen: -1.96 diff: 0.55 [START_SMILES]OC(=O)COc1ccc(C(=O)c2cccs2)c(Cl)c1Cl[END_SMILES][PROPERTY]activity -1.96[/PROPERTY][PROPERTY]Physical Description Solid[/PROPERTY][PROPERTY]MS-MS-1.02[/PROPERTY][PROPERTY]MS-1.02[/PROPERTY][PROPERTY]MS-1.02[/PROPERTY][PROPERTY]MS-1.02[/PROPERTY][PROPERTY]MS-1.02[/PROPERTY][PROPERTY]MS-1.02[/PROPERTY][PROPERTY]MS-1.0\n", - "GT: 0.3 Gen: 0.1 diff: 0.2 [START_SMILES]O[C@@H](CNCCSCCCOCCc1ccccc1)c2ccc(O)c3NC(=O)Sc23[END_SMILES][PROPERTY]activity 0.1[/PROPERTY][PROPERTY]Other MS 0.1[/PROPERTY][/PROPERTY][PROPERTY]Other MS 101.06[/PROPERTY][PROPERTY]Other MS 227.0697 100[/PROPERTY][PROPERTY]Other MS 59.01[/PROPERTY][PROPERTY]Other MS 57.01\n", - "GT: -0.56 Gen: 0.85 diff: 1.41 [START_SMILES]COc1ccccc1Oc2ccc(cc2)N(Cc3cccnc3)S(=O)(=O)CC(F)(F)F[END_SMILES][PROPERTY]activity 0.85[/PROPERTY][PROPERTY]Other MS 117.055 100[/PROPERTY][PROPERTY]Other MS 70.06[/PROPERTY][PROPERTY]Other MS 158.0481 10.01[/PROPERTY][PROPERTY]Other MS 17\n", - "GT: 0.05 Gen: -0.05 diff: 0.1 [START_SMILES]CC(=O)Nc1ccc2ccn(c3cc(NCCN4CCCC4)n5ncc(C#N)c5n3)c2c1[END_SMILES][PROPERTY]activity -0.05[/PROPERTY][PROPERTY]Other MS 115.08[/PROPERTY][PROPERTY]Other MS 109.07[/PROPERTY][PROPERTY]Other MS 101.06[/PROPERTY][PROPERTY]Other MS 103.06[/PROPERTY][PROPERTY]Other MS\n", - "GT: 1.52 Gen: 0.93 diff: 0.59 [START_SMILES]Clc1ccc(cc1)c2cn3ccccc3n2[END_SMILES][PROPERTY]activity 0.93[/PROPERTY][PROPERTY]Other MS 191.03[/PROPERTY][PROPERTY]Other MS 193.03[/PROPERTY][PROPERTY]Other MS 215.03[/PROPERTY][PROPERTY]Other MS 239.2166 100[/PROPERTY][PROPERTY]Other MS 191.0392 100[/PROPERTY][PROPERTY]Other MS 49\n", - "GT: 1.38 Gen: 1.48 diff: 0.1 [START_SMILES]O=C(CC12CC3CC(CC(C3)C1)C2)Nc4cccc5ncccc45[END_SMILES][PROPERTY]activity 1.48[/PROPERTY][PROPERTY]GC-MS m/z Top Peak: 184[/PROPERTY][PROPERTY]GC-MS m/z 2[/PROPERTY][PROPERTY]GC-MS m/z 2[/PROPERTY][PROPERTY]GC-MS m/z 3rd Highest: 185[/PROPERTY][PROPERTY]GC-MS m/z\n", - "GT: 1.35 Gen: 1.68 diff: 0.33 [START_SMILES]c1ccc(cc1)c2c[nH]c(n2)c3ccccc3[END_SMILES][PROPERTY]activity 1.68[/PROPERTY][PROPERTY]GC-MS m/z Top Peak: 172[/PROPERTY][PROPERTY]GC-MS m/z 2.6[/PROPERTY][PROPERTY]GC-MS m/z 3rd Highest: 173[/PROPERTY][PROPERTY]GC-MS m/z Top Peak: 172[/PROPERTY][PROPERTY]GC-MS m/\n", - "GT: -0.72 Gen: -0.89 diff: 0.17 [START_SMILES]COc1ccc2C=CC(=O)N(CCN3CCC(CC3)NCc4cc5OCCOc5cn4)c2c1[END_SMILES][PROPERTY]activity -0.89[/PROPERTY][PROPERTY]Other-1.04[/PROPERTY][PROPERTY]-1.04[/PROPERTY][PROPERTY]-1.04[/PROPERTY][PROPERTY]-1.04[/PROPERTY][PROPERTY]Other MS 111.0236 1[/PROPERTY][PROPERTY]Other MS 113\n", - "GT: -0.06 Gen: -0.15 diff: 0.09 [START_SMILES]COc1ccnc(CCc2nc3c(C)ccnc3[nH]2)c1[END_SMILES][PROPERTY]activity -0.15[/PROPERTY][PROPERTY]Other-0.15[/PROPERTY][PROPERTY]Other MS 10.02[/PROPERTY][PROPERTY]Other MS 18.03[/PROPERTY][PROPERTY]Other MS 10.02[/PROPERTY][PROPERTY]Other MS 11.02[/PROPERTY][PROPERTY]Other MS 18.03[/PROPERTY][PROPERTY]Other MS 1\n", - "GT: 1.57 Gen: 1.68 diff: 0.11 [START_SMILES]FC(F)(F)c1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C4CC4)CC2)cc1Cl[END_SMILES][PROPERTY]activity 1.68[/PROPERTY][PROPERTY]GC-MS m/z Top Peak: 181[/PROPERTY][PROPERTY]GC-MS m/z 2nd Highest: 182[/PROPERTY][PROPERTY]GC-MS m/z 3rd Highest\n", - "GT: -1.39 Gen: -1.64 diff: 0.25 [START_SMILES]CC(=O)Nc1ccccn1[END_SMILES][PROPERTY]activity -1.64[/PROPERTY][PROPERTY]Other-1.64[/PROPERTY][PROPERTY]Other-1.64[/PROPERTY][PROPERTY]-1.64[/PROPERTY][PROPERTY]-1.64[/PROPERTY][PROPERTY]Other MS 109.02[/PROPERTY][PROPERTY]Other MS 113.02[/PROPERTY][PROPERTY]Other MS 115.02[/PROPERTY][PROPERTY]Other MS 117.02[/PROPERTY][PROPERTY]Other MS 1\n", - "GT: 0.29 Gen: 1.23 diff: 0.94 [START_SMILES]CCc1cc2C(=NCc3nnc(C)n3c2s1)c4ccccc4Cl[END_SMILES][PROPERTY]activity 1.23[/PROPERTY][PROPERTY]GC-MS m/z Top Peak: 105[/PROPERTY][PROPERTY]GC-MS m/z 2nd Highest: 106[/PROPERTY][PROPERTY]GC-MS m/z 3rd Highest: 107[/PROPERTY][NHOHCOUNT]0[/NHOHCOUNT][NUMROTATABLEBONDS]2[/NUMROTATABLEBONDS][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][NOCOUNT]\n", - "GT: -0.51 Gen: -0.15 diff: 0.36 [START_SMILES]O=C1NC(=NC(=C1C#N)c2ccccc2)SCc3ccccc3[END_SMILES][PROPERTY]activity -0.15[/PROPERTY][PROPERTY]Other MS 171.02[/PROPERTY][PROPERTY]Other MS 170.03[/PROPERTY][PROPERTY]Other MS 119.02[/PROPERTY][PROPERTY]Other MS 101.02[/PROPERTY][PROPERTY]Other MS 171.02[/PROPERTY][PROPERTY]Other MS 17\n", - "GT: 0.44 Gen: 0.69 diff: 0.25 [START_SMILES]COc1cc(ccc1Cn2ccc3ccc(NC(=O)OC4CCCC4)cc23)c5nn[nH]n5[END_SMILES][PROPERTY]activity 0.69[/PROPERTY][PROPERTY]GC-0.79[/PROPERTY][PROPERTY]GC-0.79[/PROPERTY][PROPERTY]Other MS 191.03818[/PROPERTY][PROPERTY]Other MS 191.03818[/PROPERTY][PROPERTY]Other MS 191.0\n", - "GT: 0.44 Gen: 0.6 diff: 0.16 [START_SMILES]Fc1ccc(cc1C#N)S(=O)(=O)NCC(N2CCCCCC2)c3ccccc3[END_SMILES][PROPERTY]activity 0.6[/PROPERTY][PROPERTY]GC-MS m/z Top Peak: 123[/PROPERTY][PROPERTY]GC-MS m/z 2[/PROPERTY][PROPERTY]GC-MS m/z 2[/PROPERTY][PROPERTY]GC-MS m/z 3rd Highest: 124[/PROPERTY][NHOHCOUNT]1[/NHOHCOUNT][NUMROTATABLEBONDS]\n", - "GT: 0.22 Gen: 1.43 diff: 1.21 [START_SMILES]CC(C)c1nnc2ccc(cn12)c3ocnc3c4cc(F)ccc4F[END_SMILES][PROPERTY]activity 1.43[/PROPERTY][PROPERTY]Other MS 149.0758 1.43[/PROPERTY][PROPERTY]Other MS 111.027 1.43[/PROPERTY][PROPERTY]Other MS 111.027 1.43[/PROPERTY][PROPERTY]Other MS 111.0\n", - "GT: -0.57 Gen: -0.35 diff: 0.22 [START_SMILES]CS(=O)(=O)c1ccc2nc(sc2c1)N3CCN(CC3)C(=O)[C@@H]4CCCC[C@H]4C(=O)NC5(CC5)C#N[END_SMILES][PROPERTY]activity -0.35[/PROPERTY][PROPERTY]GHS Classification D#N.CS(=O)(=O)c1ccc2nc(Sc3nc4c\n", - "GT: 0.06 Gen: -0.81 diff: 0.87 [START_SMILES]O=C(Nc1nccs1)c2cccnc2[END_SMILES][PROPERTY]activity -0.81[/PROPERTY][PROPERTY]Other-0.81[/PROPERTY][PROPERTY]Other MS 101.02[/PROPERTY][PROPERTY]Other MS 119.03[/PROPERTY][PROPERTY]Other MS 54.01[/PROPERTY][PROPERTY]Other MS 173.01[/PROPERTY][PROPERTY]Other MS 119.03[/PROPERTY][PROPERTY]Other MS 119.03[/PROPERTY]\n", - "GT: 0.03 Gen: -1.56 diff: 1.59 [START_SMILES]O=C1C2CCC(N2)C(=O)N1Cc3ccccc3[END_SMILES][PROPERTY]activity -1.56[/PROPERTY][PROPERTY]-1.56[/PROPERTY][PROPERTY]-1.56[/PROPERTY][PROPERTY]-1.56[/PROPERTY][PROPERTY]-1.56[/PROPERTY][PROPERTY]-1.56[/PROPERTY][PROPERTY]-1.56[/PROPERTY][PROPERTY]Other MS 111.027 100[/PROPERTY][PROPERTY]Other MS 103\n", - "GT: 0.41 Gen: 0.77 diff: 0.36 [START_SMILES]C[C@@H]1CN(CCN1C(=O)[C@@H]2CCCC[C@H]2C(=O)NC3(CC3)C#N)c4ccc5c(C)noc5c4[END_SMILES][PROPERTY]activity 0.77[/PROPERTY][PROPERTY]Other MS 141.0762 100[/PROPERTY][PROPERTY]Other MS 135.0792 6\n", - "GT: 0.44 Gen: 0.82 diff: 0.38 [START_SMILES]COc1cc2ncnc(Nc3cc(NC(=O)c4ccnc(c4)N5CCOCC5)ccc3C)c2cc1OCCN6CCCC6[END_SMILES][PROPERTY]activity 0.82[/PROPERTY][PROPERTY]Other MS 105.07[/PROPERTY][PROPERTY]Other MS 103.06[/PROPERTY][PROPERTY]Other MS 101.06[/PROPERTY][PROPERTY]Other MS 107.06\n", - "GT: -2.71 Gen: -2.99 diff: 0.28 [START_SMILES]N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O[END_SMILES][PROPERTY]activity -2.99[/PROPERTY][PROPERTY]MS-MS-1.99[/PROPERTY][PROPERTY]MS-1.99[/PROPERTY][PROPERTY]MS-1.99[/PROPERTY][PROPERTY]MS-1.99[/PROPERTY][PROPERTY]MS-1.99[/PROPERTY][PROPERTY]MS-1.99[/PROPERTY][PROPERTY]MS-1.99[/PROPERTY][PROPERTY]MS-\n", - "GT: 0.37 Gen: 0.6 diff: 0.23 [START_SMILES]Clc1ccc(cc1)C(=O)CN2C3=NCCN3c4ccccc24[END_SMILES][PROPERTY]activity 0.6[/PROPERTY][PROPERTY]Other MS 121.03[/PROPERTY][PROPERTY]Other MS 123.02[/PROPERTY][PROPERTY]Other MS 227.0693 1[/PROPERTY][PROPERTY]Other MS 121.03[/PROPERTY][PROPERTY]Other MS 227.0693 1[/PROPERTY]\n", - "GT: -0.6 Gen: -0.23 diff: 0.37 [START_SMILES]COc1ccc2ncc(F)c(CCN3CCC(CC3)NCc4cc5OCCOc5cn4)c2n1[END_SMILES][PROPERTY]activity -0.23[/PROPERTY][PROPERTY]Other MS 105.07[/PROPERTY][PROPERTY]Other MS 103.07[/PROPERTY][PROPERTY]Other MS 101.06[/PROPERTY][PROPERTY]Other MS 104.06[/PROPERTY][PROPERTY]Other MS 112.0\n", - "GT: -1.41 Gen: 0.0 diff: 1.41 [START_SMILES]CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12[END_SMILES][PROPERTY]activity 0.0[/PROPERTY][PROPERTY]Other MS 140.01[/PROPERTY][PROPERTY]Other MS 128.01[/PROPERTY][PROPERTY]Other MS 108.01[/PROPERTY][PROPERTY]Other MS 300.1941 100[/PROPERTY][PROPERTY]Other MS 140.01[/PROPERTY][PROPERTY]Other MS \n", - "GT: -0.84 Gen: -1.04 diff: 0.2 [START_SMILES]CN(C)CCOc1ccc(cc1)c2cc(C(=O)N)c(NC(=O)N)s2[END_SMILES][PROPERTY]activity -1.04[/PROPERTY][PROPERTY]Other MS 144.001 30[/PROPERTY][PROPERTY]Other MS 102.98[/PROPERTY][PROPERTY]Other MS 100.97[/PROPERTY][PROPERTY]Other MS 132.98[/PROPERTY][PROPERTY]Other MS 101\n", - "GT: -0.14 Gen: -0.38 diff: 0.24 [START_SMILES]COc1cnc(nc1NC(C)C)c2ccccn2[END_SMILES][PROPERTY]activity -0.38[/PROPERTY][PROPERTY]Other-0.38[/PROPERTY][PROPERTY]Other-0.38[/PROPERTY][PROPERTY]Other-0.38[/PROPERTY][PROPERTY]Other MS 109.07[/PROPERTY][PROPERTY]Other MS 121.0659 1[/PROPERTY][PROPERTY]Other MS 121.0659 1[/PROPERTY][PROPERTY]Other MS 1\n", - "GT: 1.18 Gen: 1.6 diff: 0.42 [START_SMILES]C=CCN(C1CCN(CCC(c2ccccc2)c3ccccc3)CC1)C(=O)Nc4ccccc4[END_SMILES][PROPERTY]activity 1.6[/PROPERTY][PROPERTY]GC-MS m/z Top Peak: 105[/PROPERTY][PROPERTY]GC-MS m/z 2nd Highest: 107[/PROPERTY][PROPERTY]GC-MS m/z 3rd Highest: 108[/PROPERTY][PROPERTY]GC-\n", - "GT: -0.21 Gen: 0.85 diff: 1.06 [START_SMILES]Clc1ccc(cc1)C(=O)Nc2oc(nn2)C(=O)Nc3ccc(cc3)N4CCOCC4[END_SMILES][PROPERTY]activity 0.85[/PROPERTY][PROPERTY]GC-MS m/z Top Peak: 135[/PROPERTY][PROPERTY]GC-MS m/z 2.38[/PROPERTY][PROPERTY]GC-MS m/z 1.18[/PROPERTY][PROPERTY]GC-MS m/z 3rd Hig\n", - "GT: 1.16 Gen: 1.1 diff: 0.06 [START_SMILES]COc1ccc2nc(NC(=O)CCc3ccc(OC)c(OC)c3)sc2c1[END_SMILES][PROPERTY]activity 1.1[/PROPERTY][PROPERTY]GC-MS m/z Top Peak: 115[/PROPERTY][PROPERTY]GC-MS m/z 2nd Highest: 116[/PROPERTY][PROPERTY]GC-MS m/z 3rd Highest: 117[/PROPERTY][NOCOUNT]7[/NOCOUNT][NUMROTATABLEBONDS]7[/NUMROTATABLEBONDS][SYNONYM]ZINC1\n", - "GT: 0.69 Gen: 0.85 diff: 0.16 [START_SMILES]Fc1ccc(Nc2oc(nn2)C(=O)Nc3ccc(nc3)N4CCOCC4)cc1[END_SMILES][PROPERTY]activity 0.85[/PROPERTY][PROPERTY]Other MS 144.0689 1[/PROPERTY][PROPERTY]Other MS 10.06[/PROPERTY][PROPERTY]Other MS 10.06[/PROPERTY][PROPERTY]Other MS 102.06[/PROPERTY][PROPERTY]Other MS 101.05[/PROPERTY][PROPERTY]\n", - "GT: -1.51 Gen: -0.23 diff: 1.28 [START_SMILES]NC(=N)c1ccc(cc1)C(=O)N2CCN(CC2)S(=O)(=O)c3ccc4cc(Br)ccc4c3[END_SMILES][PROPERTY]activity -0.23[/PROPERTY][PROPERTY]Other MS 101.07[/PROPERTY][PROPERTY]Other MS 102.06[/PROPERTY][PROPERTY]Other MS 173.01[/PROPERTY][PROPERTY]Other MS 119.05\n", - "GT: -1.17 Gen: -1.06 diff: 0.11 [START_SMILES]COc1ccc2N=CC(=O)N(CCN3CC[C@H](NCc4cc5OCCOc5cn4)[C@H](O)C3)c2c1[END_SMILES][PROPERTY]activity -1.06[/PROPERTY][PROPERTY]Other-1.06[/PROPERTY][PROPERTY]Other MS 101.02[/PROPERTY][PROPERTY]Other MS 127.0491 1[/PROPERTY][PROPERTY]Other MS \n", - "GT: -0.29 Gen: -2.06 diff: 1.77 [START_SMILES]CC1=CN([C@H]2CCCN(C2)[C@H](CC3CCCCC3)c4ccc(C(=O)O)c(Oc5cccc(Cl)c5)c4)C(=O)NC1=O[END_SMILES][PROPERTY]activity -2.06[/PROPERTY][PROPERTY]Other MS -2.06[/PROPERTY][PROPERTY]Other MS 115.02[/PROPERTY][PROPERTY]Other MS 1\n", - "GT: 0.84 Gen: 0.35 diff: 0.49 [START_SMILES]Nc1cccc2C(=O)N(Cc3cccc(Cl)c3)C(=O)c12[END_SMILES][PROPERTY]activity 0.35[/PROPERTY][PROPERTY]Other MS 191.0415 1[/PROPERTY][PROPERTY]Other MS 192.0377 1[/PROPERTY][PROPERTY]Other MS 407.0377 1[/PROPERTY][PROPERTY]Other MS 425.0377 1[/PROPERTY][PROPERTY]\n", - "GT: 0.78 Gen: 1.43 diff: 0.65 [START_SMILES]Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1NC(=O)c3cccnc3[END_SMILES][PROPERTY]activity 1.43[/PROPERTY][PROPERTY]Other MS 184.0739 100[/PROPERTY][PROPERTY]Other MS 186.0739 30.03[/PROPERTY][PROPERTY]Other MS 168.0431 20.\n", - "GT: 1.21 Gen: 1.77 diff: 0.56 [START_SMILES]Cc1cc(CCCOc2c(C)cc(cc2C)c3noc(n3)C(F)(F)F)on1[END_SMILES][PROPERTY]activity 1.77[/PROPERTY][PROPERTY]Other MS 119.1019 1.77[/PROPERTY][PROPERTY]Other MS 317.1425 100[/PROPERTY][PROPERTY]Other MS 117.105 5.52[/PROPERTY]\n", - "GT: 0.77 Gen: 0.27 diff: 0.5 [START_SMILES]CCOC(=O)c1ccc(OCC2CN(C2)c3ccc(C)nn3)cc1[END_SMILES][PROPERTY]activity 0.27[/PROPERTY][PROPERTY]Other MS 101.07[/PROPERTY][PROPERTY]Other MS 103.06[/PROPERTY][PROPERTY]Other MS 105.06[/PROPERTY][PROPERTY]Other MS 117.064 1[/PROPERTY][PROPERTY]Other MS 101.06[/PROPERTY][PROPERTY]Other MS\n", - "GT: -1.06 Gen: -0.77 diff: 0.29 [START_SMILES]Nc1ncnc2c1ncn2[C@@H]3O[C@H](CSCCCNC(=O)NCc4ccccc4)[C@@H](O)[C@H]3O[END_SMILES][PROPERTY]activity -0.77[/PROPERTY][PROPERTY]GHS Classification Warning[/PROPERTY][PROPERTY]GHS Classification H302 (100[/PROPERTY][PROPERTY]Other MS 140.0119 30\n", - "GT: -1.14 Gen: -0.89 diff: 0.25 [START_SMILES]CCC(N1NC(=O)c2nc3cc(Cl)ccc3c(O)c2C1=O)c4ccccn4[END_SMILES][PROPERTY]activity -0.89[/PROPERTY][PROPERTY]Other-0.89[/PROPERTY][PROPERTY]-0.89[/PROPERTY][PROPERTY]-0.89[/PROPERTY][PROPERTY]-0.89[/PROPERTY][PROPERTY]-0.89[/PROPERTY][PROPERTY]-0.89[/PROPERTY][PROPERTY]-0.89[/PROPERTY][PROPERTY]-0.\n", - "GT: -0.56 Gen: -0.06 diff: 0.5 [START_SMILES]COc1ccc(Nc2cc(Nc3ccc(OCC(O)CN(C)C)cc3)ncn2)cc1[END_SMILES][PROPERTY]activity -0.06[/PROPERTY][PROPERTY]Other MS 183.1598 100[/PROPERTY][PROPERTY]Other MS 101.07[/PROPERTY][PROPERTY]Other MS 64.05[/PROPERTY][PROPERTY]Other MS 103.06[/PROPERTY][PROPERTY]Other MS 115\n", - "GT: 0.2 Gen: -0.06 diff: 0.26 [START_SMILES]COc1ccc(cc1)c2cc(N)n3ncc(C#N)c3n2[END_SMILES][PROPERTY]activity -0.06[/PROPERTY][PROPERTY]Other MS 151.039 5.01[/PROPERTY][PROPERTY]Other MS 107.01[/PROPERTY][PROPERTY]Other MS 105.01[/PROPERTY][PROPERTY]Other MS 109.01[/PROPERTY][PROPERTY]Other MS 107.01[/PROPERTY][PROPERTY]\n", - "GT: 0.19 Gen: 0.83 diff: 0.64 [START_SMILES]ONC(=O)CN1C(=O)C(Cc2ccccc12)NC(=O)c3cc4cc(Cl)sc4[nH]3[END_SMILES][PROPERTY]activity 0.83[/PROPERTY][PROPERTY]Other MS 115.03[/PROPERTY][PROPERTY]Other MS 116.0497 10.01[/PROPERTY][PROPERTY]Other MS 277.0697 10.0\n", - "GT: -0.45 Gen: -0.66 diff: 0.21 [START_SMILES]CCN(C1CCN(CCC(C2CCN(CC2)S(=O)(=O)CC)c3ccccc3)CC1)C(=O)Cc4ccc(cc4)S(=O)(=O)C[END_SMILES][PROPERTY]activity -0.66[/PROPERTY][PROPERTY]Other MS 105.07[/PROPERTY][PROPERTY]Other MS 111.05[/PROPERTY][PROPERTY]Other MS 11\n", - "GT: 0.54 Gen: 0.85 diff: 0.31 [START_SMILES]O=S(=O)(Cc1ccccc1)NCC(N2CCCCCC2)c3ccccc3[END_SMILES][PROPERTY]activity 0.85[/PROPERTY][PROPERTY]Other MS 101.06[/PROPERTY][PROPERTY]Other MS 103.06[/PROPERTY][PROPERTY]Other MS 105.06[/PROPERTY][PROPERTY]Other MS 101.06[/PROPERTY][PROPERTY]Other MS 102.06[/PROPERTY][PROPERTY]Other MS 1\n", - "GT: 0.35 Gen: 0.69 diff: 0.34 [START_SMILES]COc1cc2ncnc(Nc3cccc(O)c3)c2cc1OC[END_SMILES][PROPERTY]activity 0.69[/PROPERTY][PROPERTY]Other MS 177.05569[/PROPERTY][PROPERTY]Other MS 178.05569[/PROPERTY][PROPERTY]Other MS 179.05569[/PROPERTY][PROPERTY]Other MS 179.05569[/PROPERTY][PROPERTY]Other MS 179.0556\n", - "GT: -1.64 Gen: -1.14 diff: 0.5 [START_SMILES]O=C1C=CN=C2C=CC=CN12[END_SMILES][PROPERTY]activity -1.14[/PROPERTY][PROPERTY]Other-1.14[/PROPERTY][PROPERTY]Other-1.14[/PROPERTY][PROPERTY]Other MS -1.14[/PROPERTY][PROPERTY]Other MS 103.02[/PROPERTY][PROPERTY]Other MS 105.02[/PROPERTY][PROPERTY]Other MS 105.02[/PROPERTY][PROPERTY]Other MS 105.02[/PROPERTY][PROPERTY]Other\n", - "GT: 1.01 Gen: 0.52 diff: 0.49 [START_SMILES]CCN(C1CCN(CC[C@H](C2CCN(CC2)S(=O)(=O)C(F)(F)F)c3ccccc3)CC1)C(=O)Cc4ccc(cc4)S(=O)(=O)C[END_SMILES][PROPERTY]activity 0.52[/PROPERTY][PROPERTY]Other MS 115.0618 100[/PROPERTY]\n", - "GT: 0.85 Gen: 1.27 diff: 0.42 [START_SMILES]COc1cc(ccc1Nc2ncc(Cl)c(n2)c3cnc4c(F)cc(F)cn34)N5CCN(CC5)C(=O)C[END_SMILES][PROPERTY]activity 1.27[/PROPERTY][PROPERTY]Other MS 115.07[/PROPERTY][PROPERTY]Other MS 114.0651 10.01[/PROPERTY][PROPERTY]Other MS 77.028\n", - "GT: 1.63 Gen: 1.82 diff: 0.19 [START_SMILES]CC(C)(C)NC(=O)C(N(Cc1occc1)C(=O)c2ccc([nH]2)c3ccccc3)c4ccncc4[END_SMILES][PROPERTY]activity 1.82[/PROPERTY][PROPERTY]GC-MS m/z Top Peak: 105[/PROPERTY][PROPERTY]GC-MS m/z 2.92[/PROPERTY][PROPERTY]GC-MS m/z 3rd Highest\n" + "last\n" ] }, { "name": "stderr", "output_type": "stream", "text": [ - "/auto/home/menuab/miniforge3/envs/cl11.8_t_4.37/lib/python3.10/site-packages/transformers/generation/utils.py:1136: UserWarning: Input length of input_ids is 126, but `max_length` is set to 100. This can lead to unexpected behavior. You should consider increasing `max_new_tokens`.\n", - " warnings.warn(\n" - ] - }, - { - "name": "stdout", - "output_type": "stream", - "text": [ - "GT: -1.14 Gen: -0.98 diff: 0.16 [START_SMILES]C1CN2C[C@@H](N=C2S1)c3ccccc3[END_SMILES][PROPERTY]activity -0.98[/PROPERTY][PROPERTY]Chemical Classes Other Classes -1.48[/PROPERTY][PROPERTY]GHS Classification Warning[/PROPERTY][PROPERTY]GHS Classification H315 (100[/PROPERTY][PROPERTY]GHS Classification H319 (100[/PROPERTY][PROPERTY]Other MS 111.01[/PROPERTY][PROPERTY]Other MS 113.\n", - "GT: 1.02 Gen: 1.28 diff: 0.26 [START_SMILES]N\\C(=C(/C#N)\\c1ccccc1C(F)(F)F)\\Sc2ccc(N)cc2[END_SMILES][PROPERTY]activity 1.28[/PROPERTY][PROPERTY]GC-MS m/z Top Peak: 191[/PROPERTY][PROPERTY]GC-MS m/z 2.7[/PROPERTY][PROPERTY]GC-MS m/z 3rd Highest: 192[/PROPERTY][NUMHDONORS]2[/NUMHDONORS][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][TPSA]75\n", - "GT: 1.1 Gen: 0.35 diff: 0.75 [START_SMILES]Cc1oc(nc1CCOc2ccc(C[C@H](Nc3ccccc3C(=O)c4ccccc4)C(=O)O)cc2)c5ccccc5[END_SMILES][PROPERTY]activity 0.35[/PROPERTY][PROPERTY]Other MS 11.03[/PROPERTY][PROPERTY]Other MS 10.02[/PROPERTY][PROPERTY]Other MS 7.01[/PROPERTY][PROPERTY]Other MS 390.135\n", - "GT: -0.81 Gen: -0.83 diff: 0.02 [START_SMILES]Cc1nc(C)c(nc1C(=O)N)c2ccc3c(CC[C@@]34CC[C@@H](CC4)C(=O)O)c2[END_SMILES][PROPERTY]activity -0.83[/PROPERTY][PROPERTY]Other-0.38[/PROPERTY][PROPERTY]Other-0.38[/PROPERTY][PROPERTY]Other-0.38[/PROPERTY][PROPERTY]Other-0.38[/PROPERTY][PROPERTY]Other-0.38\n", - "GT: 0.52 Gen: 0.5 diff: 0.02 [START_SMILES]CNC(=O)c1nc(cnc1N)c2ccc(Cl)c(c2)S(=O)(=O)Nc3cccc(F)c3F[END_SMILES][PROPERTY]activity 0.5[/PROPERTY][PROPERTY]Other MS 155.0321[/PROPERTY][PROPERTY]Other MS 131.0271[/PROPERTY][PROPERTY]Other MS 506.0976[/PROPERTY][PROPERTY]Other MS 155.\n", - "GT: 1.36 Gen: 1.02 diff: 0.34 [START_SMILES]CC[C@H](NC(=O)c1c([S+]([O-])C(C)C)c(nc2ccccc12)c3ccccc3)c4ccccc4[END_SMILES][PROPERTY]activity 1.02[/PROPERTY][PROPERTY]Other MS 144.0431 2.50[/PROPERTY][PROPERTY]Other MS 102.9958 1.02[/PROPERTY][PROPERTY]Other\n", - "GT: -0.55 Gen: -0.89 diff: 0.34 [START_SMILES]Clc1ccc(cc1)C2(CCNCC2)c3ccc(cc3)c4cn[nH]c4[END_SMILES][PROPERTY]activity -0.89[/PROPERTY][PROPERTY]Other-0.89[/PROPERTY][PROPERTY]-0.89[/PROPERTY][PROPERTY]-0.89[/PROPERTY][PROPERTY]-0.89[/PROPERTY][PROPERTY]-0.89[/PROPERTY][PROPERTY]-0.89[/PROPERTY][PROPERTY]-0.89[/PROPERTY][PROPERTY]-0.89[/PROPERTY]\n", - "GT: -1.56 Gen: -1.93 diff: 0.37 [START_SMILES]OC(=O)c1cccc(c1)c2cccc(c2)C#N[END_SMILES][PROPERTY]activity -1.93[/PROPERTY][PROPERTY]Physical Description Solid[/PROPERTY][PROPERTY]MS-MS-1.03[/PROPERTY][PROPERTY]MS-1.03[/PROPERTY][PROPERTY]Other-1.03[/PROPERTY][PROPERTY]Other-1.03[/PROPERTY][PROPERTY]Other MS 101.02[/PROPERTY][PROPERTY]Other MS 103.02[/PROPERTY][PROPERTY]Other MS 29\n", - "GT: -1.55 Gen: -1.14 diff: 0.41 [START_SMILES]Cc1cnc(cn1)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3[END_SMILES][PROPERTY]activity -1.14[/PROPERTY][PROPERTY]MS-007[/PROPERTY][PROPERTY]MS-006[/PROPERTY][PROPERTY]MS-007[/PROPERTY][PROPERTY]MS-007[/PROPERTY][PROPERTY]MS-007[/PROPERTY][PROPERTY]MS-007[/PROPERTY][PROPERTY]MS-00\n", - "GT: 1.42 Gen: 0.6 diff: 0.82 [START_SMILES][O-][N+](=O)c1cccc(c1)c2ccc(OCC(CCc3ccncc3)N4C(=O)CCC4=O)cc2[END_SMILES][PROPERTY]activity 0.6[/PROPERTY][PROPERTY]Other MS 101.02[/PROPERTY][PROPERTY]Other MS 103.02[/PROPERTY][PROPERTY]Other MS 223.2069 100[/PROPERTY][PROPERTY]Other MS \n", - "GT: -0.4 Gen: -0.66 diff: 0.26 [START_SMILES]O=S(=O)(Nc1cccc2[nH]ncc12)c3cccs3[END_SMILES][PROPERTY]activity -0.66[/PROPERTY][PROPERTY]Other-0.66[/PROPERTY][PROPERTY]Other MS 109.03[/PROPERTY][PROPERTY]Other MS 107.03[/PROPERTY][PROPERTY]Other MS 105.03[/PROPERTY][PROPERTY]Other MS 107.03[/PROPERTY][PROPERTY]Other MS 105.03[/PROPERTY]\n", - "GT: 1.4 Gen: 1.51 diff: 0.11 [START_SMILES]Oc1ccc(cc1)C(c2ccc(O)cc2)C(Cl)(Cl)Cl[END_SMILES][PROPERTY]activity 1.51[/PROPERTY][PROPERTY]Other MS 297.0381 1.68[/PROPERTY][PROPERTY]Other MS 299.0431 1.68[/PROPERTY][PROPERTY]Other MS 299.0431 1.68[/PROPERTY][PROPERTY]Other MS 297.03\n", - "GT: -2.59 Gen: -1.56 diff: 1.03 [START_SMILES]NS(=O)(=O)c1cc(cc(N2CCCC2)c1Oc3ccccc3)C(=O)O[END_SMILES][PROPERTY]activity -1.56[/PROPERTY][PROPERTY]-1.56[/PROPERTY][PROPERTY]-1.56[/PROPERTY][PROPERTY]-1.56[/PROPERTY][PROPERTY]-1.56[/PROPERTY][PROPERTY]-1.56[/PROPERTY][PROPERTY]-1.56[/PROPERTY][PROPERTY]-1.56[/PROPERTY][PROPERTY]-1.5\n", - "GT: 0.68 Gen: 0.6 diff: 0.08 [START_SMILES]CN(C)CCOc1cc(NS(=O)(=O)c2c(Cl)cc(cc2Cl)C(F)(F)F)ccc1Cl[END_SMILES][PROPERTY]activity 0.6[/PROPERTY][PROPERTY]Other MS 198.0481 100[/PROPERTY][PROPERTY]Other MS 578.9798 0.56[/PROPERTY][PROPERTY]Other MS 199.0481 0\n", - "GT: 1.02 Gen: 1.18 diff: 0.16 [START_SMILES]CO[C@@H]1CC[C@@]2(CC1)Cc3ccc(cc3C24N=C(C)C(=N4)N)c5cncc(Br)c5[END_SMILES][PROPERTY]activity 1.18[/PROPERTY][PROPERTY]GC-MS m/z Top Peak: 191[/PROPERTY][PROPERTY]GC-MS m/z 2nd Highest: 192[/PROPERTY][PROPERTY]GC-MS m/z\n", - "GT: 0.47 Gen: 0.54 diff: 0.07 [START_SMILES]Clc1ccc(CN(Cc2ccc(Cl)cc2)c3nn[nH]n3)cc1[END_SMILES][PROPERTY]activity 0.54[/PROPERTY][PROPERTY]GC-MS m/z Top Peak: 155[/PROPERTY][PROPERTY]GC-MS m/z 0.54[/PROPERTY][PROPERTY]GC-MS m/z 0.54[/PROPERTY][PROPERTY]GC-MS m/z 0.54[/PROPERTY][PROPERTY]GC-MS m/z\n", - "GT: -0.76 Gen: -0.89 diff: 0.13 [START_SMILES]OC(=O)c1c(C#N)c2ccccc2n1Cc3ccc(Cl)c(Cl)c3[END_SMILES][PROPERTY]activity -0.89[/PROPERTY][PROPERTY]GHS Classification Warning[/PROPERTY][PROPERTY]GHS Classification H315 -1.16[/PROPERTY][PROPERTY]GHS Classification H319 -1.16[/PROPERTY][PROPERTY]GHS Classification H335 -1.16[/PROPERTY][PROPERTY]GHS Classification\n", - "GT: 0.69 Gen: 0.69 diff: 0.0 [START_SMILES]Cc1ccc(cc1NC(=O)c2ccc(OCc3ccccn3)cc2)c4ncc[nH]4[END_SMILES][PROPERTY]activity 0.69[/PROPERTY][PROPERTY]Other MS 115.07[/PROPERTY][PROPERTY]Other MS 109.06[/PROPERTY][PROPERTY]Other MS 107.06[/PROPERTY][PROPERTY]Other MS 121.0557 5.01[/PROPERTY][PROPERTY]Other MS \n", - "GT: 0.97 Gen: 0.8 diff: 0.17 [START_SMILES]C[C@@H](NC(=O)C1CCCCN1C)c2ccc(Nc3ncc4cc(ccc4n3)c5ccncc5)cc2[END_SMILES][PROPERTY]activity 0.8[/PROPERTY][PROPERTY]Other MS 11.06[/PROPERTY][PROPERTY]Other MS 11.06[/PROPERTY][PROPERTY]Other MS 11.06[/PROPERTY][PROPERTY]Other MS 11.06[/PROPERTY][PROPERTY]Other MS 11\n", - "GT: 0.94 Gen: 1.77 diff: 0.83 [START_SMILES]Clc1ccc2NC(=O)CN(C(c3ccccc3)c2c1)C(=O)c4ccccc4[END_SMILES][PROPERTY]activity 1.77[/PROPERTY][PROPERTY]GC-MS m/z Top Peak: 130[/PROPERTY][PROPERTY]GC-MS m/z 2nd Highest: 131[/PROPERTY][PROPERTY]GC-MS m/z 3rd Highest: 132[/PROPERTY][NHOHCOUNT]1[/NHOHCOUNT][NUMSATURATEDHETEROCYCLES]\n", - "GT: 0.09 Gen: 0.19 diff: 0.1 [START_SMILES]CCCN(C)c1nc(ccc1C(=O)NC2CCCCC2)N3CCC[C@@H](CC(=O)O)C3[END_SMILES][PROPERTY]activity 0.19[/PROPERTY][PROPERTY]Other MS 115.07[/PROPERTY][PROPERTY]Other MS 29.03[/PROPERTY][PROPERTY]Other MS 60[/PROPERTY][PROPERTY]Other MS 61[/PROPERTY][PROPERTY]Other MS 115.07[/PROPERTY][PROPERTY]Other MS \n", - "GT: -2.35 Gen: -2.57 diff: 0.22 [START_SMILES]CCS(=O)(=O)c1ccc(c(C)c1)c2cc(Cl)ccc2OCC(=O)O[END_SMILES][PROPERTY]activity -2.57[/PROPERTY][PROPERTY]-2.57[/PROPERTY][PROPERTY]-2.57[/PROPERTY][PROPERTY]-2.57[/PROPERTY][PROPERTY]-2.57[/PROPERTY][PROPERTY]-2.57[/PROPERTY][PROPERTY]Other MS -2.57[/PROPERTY][PROPERTY]Other MS -2.5\n", - "GT: -0.19 Gen: -0.15 diff: 0.04 [START_SMILES]CCCSc1ncccc1C(=O)N2CCCC2c3ccncc3[END_SMILES][PROPERTY]activity -0.15[/PROPERTY][PROPERTY]Other MS 181.1385 1[/PROPERTY][PROPERTY]Other MS 181.1385 1[/PROPERTY][PROPERTY]Other MS 181.1385 1[/PROPERTY][PROPERTY]Other MS 181.1385 1[/PROPERTY][PROPERTY]Other MS 18\n", - "GT: 0.99 Gen: 1.6 diff: 0.61 [START_SMILES]Clc1cc(Cl)cc(NC(=O)NCC2(CCN(CC3CC3)CC2)c4ccc(cc4)c5cccc(c5)C#N)c1[END_SMILES][PROPERTY]activity 1.6[/PROPERTY][PROPERTY]GC-MS m/z Top Peak: 135[/PROPERTY][PROPERTY]GC-MS m/z 2nd Highest: 136[/PROPERTY][PROPERTY]GC-MS m/z 3\n", - "GT: -2.71 Gen: -2.39 diff: 0.32 [START_SMILES]OC(=O)COc1ccc(cc1c2ccccc2)C#N[END_SMILES][PROPERTY]activity -2.39[/PROPERTY][PROPERTY]Other-2.14[/PROPERTY][PROPERTY]-1.48[/PROPERTY][PROPERTY]-1.48[/PROPERTY][PROPERTY]-1.48[/PROPERTY][PROPERTY]-1.48[/PROPERTY][PROPERTY]-1.48[/PROPERTY][PROPERTY]-1.48[/PROPERTY][PROPERTY]-1.48[/PROPERTY][PROPERTY]-1.48[/PROPERTY][PROPERTY]-1.\n", - "GT: 1.1 Gen: 0.44 diff: 0.66 [START_SMILES]OC1(CCN(CC1)c2ccc3nnc(n3n2)C(F)(F)F)c4ccc(F)cc4[END_SMILES][PROPERTY]activity 0.44[/PROPERTY][PROPERTY]Other MS 144.0491 100[/PROPERTY][PROPERTY]Other MS 162.0491 100[/PROPERTY][PROPERTY]Other MS 182.0431 10.01\n", - "GT: -0.64 Gen: -1.29 diff: 0.65 [START_SMILES]CCOC(=O)C1(CCN(C)CC1)c2ccccc2[END_SMILES][PROPERTY]activity -1.29[/PROPERTY][PROPERTY]Other-1.29[/PROPERTY][PROPERTY]Other MS 101.06[/PROPERTY][PROPERTY]Other MS 119.05[/PROPERTY][PROPERTY]Other MS 119.06[/PROPERTY][PROPERTY]Other MS 119.05[/PROPERTY][PROPERTY]Other MS 119.05[/PROPERTY][PROPERTY]Other MS \n", - "GT: 1.24 Gen: 1.43 diff: 0.19 [START_SMILES]CN1C(=O)N(CC2CC2)c3nn(Cc4ccnc5ccc(Cl)cc45)c(c6cc(cn6C)C#N)c3C1=O[END_SMILES][PROPERTY]activity 1.43[/PROPERTY][PROPERTY]GC-MS m/z Top Peak: 149[/PROPERTY][PROPERTY]GC-MS m/z 2nd Highest: 148[/PROPERTY][PROPERTY]GC-MS m\n", - "GT: 0.34 Gen: 0.93 diff: 0.59 [START_SMILES]Cc1cc(Oc2ccnc(Nc3ccc(cc3)N4CCOCC4)c2)c(nc1C)c5ccccn5[END_SMILES][PROPERTY]activity 0.93[/PROPERTY][PROPERTY]Other MS 115.07[/PROPERTY][PROPERTY]Other MS 117.0659 100[/PROPERTY][PROPERTY]Other MS 117.0659 100[/PROPERTY][PROPERTY]Other MS 119\n", - "GT: 1.92 Gen: 1.58 diff: 0.34 [START_SMILES]CCSc1c(Cc2ccccc2C(F)(F)F)sc3N(CC(C)C)C(=O)N(C)C(=O)c13[END_SMILES][PROPERTY]activity 1.58[/PROPERTY][PROPERTY]Other MS 101.1118 1.68[/PROPERTY][PROPERTY]Other MS 103.1118 1.68[/PROPERTY][PROPERTY]Other MS 104\n", - "GT: 0.41 Gen: 0.69 diff: 0.28 [START_SMILES]CCN(C1CCN(CCC(N2CCN(CC2)c3ccccc3)c4ccccc4)CC1)C(=O)Cc5ccc(cc5)S(=O)(=O)C[END_SMILES][PROPERTY]activity 0.69[/PROPERTY][PROPERTY]Other MS 115.07[/PROPERTY][PROPERTY]Other MS 113.06[/PROPERTY][PROPERTY]Other MS 114.06[/PROPERTY][PROPERTY]\n", - "GT: -0.64 Gen: 0.19 diff: 0.83 [START_SMILES]CN(C)CCCC(NC(=O)C1(N)CCN(CC1)c2ncnc3[nH]ccc23)c4ccc(Cl)cc4[END_SMILES][PROPERTY]activity 0.19[/PROPERTY][PROPERTY]Other MS 143.08[/PROPERTY][PROPERTY]Other MS 145.07[/PROPERTY][PROPERTY]Other MS 146.06[/PROPERTY][PROPERTY]Other MS 111.07[/PROPERTY][PROPERTY]Other\n", - "GT: 0.85 Gen: 0.93 diff: 0.08 [START_SMILES]Nc1ccc(cc1)c2nc3ccc(O)cc3s2[END_SMILES][PROPERTY]activity 0.93[/PROPERTY][PROPERTY]Other MS 180.03[/PROPERTY][PROPERTY]Other MS 164.0431 1[/PROPERTY][PROPERTY]Other MS 172.0481 1[/PROPERTY][PROPERTY]Other MS 180.03[/PROPERTY][PROPERTY]Other MS 164.0481 1[/PROPERTY][PROPERTY]Other MS \n", - "GT: -0.17 Gen: -0.48 diff: 0.31 [START_SMILES]COc1cc(OC)c(cc1NC(=O)C)S(=O)(=O)N2C(C)CCc3ccccc23[END_SMILES][PROPERTY]activity -0.48[/PROPERTY][PROPERTY]Other MS -0.48[/PROPERTY][PROPERTY]Other MS 101.06[/PROPERTY][PROPERTY]Other MS 119.0557 100[/PROPERTY][PROPERTY]Other-1.06[/PROPERTY][PROPERTY]Other MS\n", - "GT: 1.05 Gen: 0.77 diff: 0.28 [START_SMILES]Nc1ccc(cn1)C(=O)Nc2cccc(c2)c3nc(N4CCOCC4)c5oc6ncccc6c5n3[END_SMILES][PROPERTY]activity 0.77[/PROPERTY][PROPERTY]Other MS 140.0272 1[/PROPERTY][PROPERTY]Other MS 118.0272 1[/PROPERTY][PROPERTY]Other MS 120.0272 1[/PROPERTY][PROPERTY]Other MS \n", - "GT: -1.09 Gen: -0.69 diff: 0.4 [START_SMILES]COc1ccccc1CNC(=O)NS(=O)(=O)c2ccc(Cl)cc2[END_SMILES][PROPERTY]activity -0.69[/PROPERTY][PROPERTY]Other-1.44[/PROPERTY][PROPERTY]Other-0.69[/PROPERTY][PROPERTY]Other-0.69[/PROPERTY][PROPERTY]Other MS 101.03[/PROPERTY][PROPERTY]Other MS 127.03[/PROPERTY][PROPERTY]Other MS 101.03[/PROPERTY][PROPERTY]Other MS\n", - "GT: 0.91 Gen: 1.02 diff: 0.11 [START_SMILES]CC(C)(C)OC(=O)N1CCN(CC1)c2ncc(OCc3ccc(cc3)S(=O)(=O)C)cn2[END_SMILES][PROPERTY]activity 1.02[/PROPERTY][PROPERTY]Other MS 115.07[/PROPERTY][PROPERTY]Other MS 113.065 100[/PROPERTY][PROPERTY]Other MS 111.065 50[/PROPERTY][PROPERTY]Other\n", - "GT: -1.13 Gen: -0.38 diff: 0.75 [START_SMILES]COC1=CC=C2C(=CC1=O)[C@H](CCc3cc(OC)c(OC)c(OC)c23)NC(=O)C[END_SMILES][PROPERTY]activity -0.38[/PROPERTY][PROPERTY]Other MS 101.03[/PROPERTY][PROPERTY]Other MS 119.0491 1[/PROPERTY][PROPERTY]Other MS 103.0491 1[/PROPERTY][PROPERTY]\n", - "GT: 0.33 Gen: 0.44 diff: 0.11 [START_SMILES]CC(C)n1c(C)ncc1c2ccnc(Nc3ccc(cc3)N4CCN(CC4)S(=O)(=O)C)n2[END_SMILES][PROPERTY]activity 0.44[/PROPERTY][PROPERTY]Other MS 111.07[/PROPERTY][PROPERTY]Other MS 110.06[/PROPERTY][PROPERTY]Other MS 277.1697 1[/PROPERTY][PROPERTY]Other MS 111\n", - "GT: 0.67 Gen: 0.27 diff: 0.4 [START_SMILES]OC(=O)[C@H](Cc1ccc(F)cc1)N2CCC(CN3CCC(CC3)Oc4ccc(Cl)c(Cl)c4)CC2[END_SMILES][PROPERTY]activity 0.27[/PROPERTY][PROPERTY]Other MS 11.0[/PROPERTY][/PROPERTY][PROPERTY]Other MS 11.0[/PROPERTY][PROPERTY]Other MS 11.0[/PROPERTY][PROPERTY]Other MS 11.0[/PROPERTY][PROPERTY]Other MS 11\n", - "GT: 1.24 Gen: 0.81 diff: 0.43 [START_SMILES]O[C@H](CNC(=O)C1=CNC(=O)c2cc(ccc12)S(=O)(=O)NC3CC3)CN4CCC(CC4)Oc5ccc(Cl)c(Cl)c5[END_SMILES][PROPERTY]activity 0.81[/PROPERTY][PROPERTY]Other MS 1.01[/PROPERTY][PROPERTY]Other MS 115.03[/PROPERTY][PROPERTY]Other MS 417\n", - "GT: 0.89 Gen: 0.35 diff: 0.54 [START_SMILES]Cc1ccc(cc1)c2ccc(F)cc2COc3ccc(CCC(=O)O)cc3[END_SMILES][PROPERTY]activity 0.35[/PROPERTY][PROPERTY]Other MS 101.0606 100[/PROPERTY][PROPERTY]Other MS 335.1352 5.01[/PROPERTY][PROPERTY]Other MS 311.1212 5.01[/PROPERTY][PROPERTY]Other MS 80.\n", - "GT: 0.18 Gen: 0.51 diff: 0.33 [START_SMILES]O[C@@H]1CCN(C1)c2ccc3c(NC(=O)CNc4cccc(c4)C#N)c(Cl)ccc3n2[END_SMILES][PROPERTY]activity 0.51[/PROPERTY][PROPERTY]Other MS 115.07[/PROPERTY][PROPERTY]Other MS 116.06[/PROPERTY][PROPERTY]Other MS 250.2151 100[/PROPERTY][PROPERTY]Other MS 107\n", - "GT: -1.06 Gen: -1.56 diff: 0.5 [START_SMILES]NC(=O)C1CCCCC1[END_SMILES][PROPERTY]activity -1.56[/PROPERTY][PROPERTY]Other-1.56[/PROPERTY][PROPERTY]Other-1.56[/PROPERTY][PROPERTY]Other MS 103.02[/PROPERTY][PROPERTY]Other MS 101.02[/PROPERTY][PROPERTY]Other MS 101.02[/PROPERTY][PROPERTY]Other MS 103.02[/PROPERTY][PROPERTY]Other MS 101.02[/PROPERTY][PROPERTY]Other MS 101.\n", - "GT: 0.15 Gen: -0.4 diff: 0.55 [START_SMILES]CC1=CC2=NNC(=O)N2c3ccccc13[END_SMILES][PROPERTY]activity -0.4[/PROPERTY][PROPERTY]Other MS 101.02[/PROPERTY][PROPERTY]Other MS 103.02[/PROPERTY][PROPERTY]Other MS 104.02[/PROPERTY][PROPERTY]Other MS 126.02[/PROPERTY][PROPERTY]Other MS 144.0119 5.01[/PROPERTY][PROPERTY]Other MS 101.\n", - "GT: -1.34 Gen: -1.06 diff: 0.28 [START_SMILES]CC(COc1ccccc1)NC(C)C(O)c2ccc(O)cc2[END_SMILES][PROPERTY]activity -1.06[/PROPERTY][PROPERTY]Other MS 117.0551 1[/PROPERTY][PROPERTY]Other MS 115.0495 1[/PROPERTY][PROPERTY]Other MS 117.0495 1[/PROPERTY][PROPERTY]Other MS 117.0495 1[/PROPERTY][PROPERTY]Other MS \n", - "GT: 1.24 Gen: 1.18 diff: 0.06 [START_SMILES]C[C@@H](Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)N(C)C[END_SMILES][PROPERTY]activity 1.18[/PROPERTY][PROPERTY]Other MS 184.0739 1.18[/PROPERTY][PROPERTY]Other MS 186.0739 1.18[/PROPERTY][PROPERTY]Other MS 184.\n", - "GT: -0.29 Gen: -0.38 diff: 0.09 [START_SMILES]C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)nc(OC(C4CC4)C(F)(F)F)nc23[END_SMILES][PROPERTY]activity -0.38[/PROPERTY][PROPERTY]Other MS 144.0431 1.18[/PROPERTY][PROPERTY]Other MS 112.044\n", - "GT: -1.02 Gen: -0.4 diff: 0.62 [START_SMILES]CCNCc1cnc(s1)c2ccc(cc2)C(=O)Nc3ccccc3N[END_SMILES][PROPERTY]activity -0.4[/PROPERTY][PROPERTY]Other-0.4[/PROPERTY][PROPERTY]Other MS 103.07[/PROPERTY][PROPERTY]Other MS 105.06[/PROPERTY][PROPERTY]Other MS 127.0651 100[/PROPERTY][PROPERTY]Other MS 42[/PROPERTY][PROPERTY]Other MS 104.0\n", - "GT: 0.93 Gen: 0.77 diff: 0.16 [START_SMILES]Fc1cnc(NC(=O)C(CC2CCOCC2)c3ccc(cc3)S(=O)(=O)C4CC4)s1[END_SMILES][PROPERTY]activity 0.77[/PROPERTY][PROPERTY]Other MS 185.1351 100[/PROPERTY][PROPERTY]Other MS 185.1351 50[/PROPERTY][PROPERTY]Other MS 101.0755 50\n", - "GT: -1.24 Gen: -0.83 diff: 0.41 [START_SMILES]CC(C)C(NC(=O)CN1C(=O)C(=CN=C1c2cccs2)N)C(=O)C(F)(F)F[END_SMILES][PROPERTY]activity -0.83[/PROPERTY][PROPERTY]Other-0.83[/PROPERTY][PROPERTY]Other MS -0.83[/PROPERTY][PROPERTY]Other MS 101.03[/PROPERTY][PROPERTY]Other MS 102.02[/PROPERTY][PROPERTY]Other MS\n", - "GT: 0.48 Gen: -0.06 diff: 0.54 [START_SMILES]CC(C)N1CCN(CC1)C(=O)NCc2ccc(Cl)c(Cl)c2[END_SMILES][PROPERTY]activity -0.06[/PROPERTY][PROPERTY]Other MS 129.00[/PROPERTY][PROPERTY]Other MS 141.0272 100[/PROPERTY][PROPERTY]Other MS 101.01[/PROPERTY][PROPERTY]Other MS 63.01[/PROPERTY][PROPERTY]Other MS 59.01[/PROPERTY]\n", - "GT: 0.25 Gen: -0.48 diff: 0.73 [START_SMILES]Nc1cc(nc2c(cnn12)C#N)c3ccccc3[END_SMILES][PROPERTY]activity -0.48[/PROPERTY][PROPERTY]GC-MS m/z Top Peak[/PROPERTY][/PROPERTY][PROPERTY]GC-MS m/z 0.0[/PROPERTY][PROPERTY]GC-MS m/z 0.0[/PROPERTY][PROPERTY]GC-MS m/z 0.0[/PROPERTY][PROPERTY]GC-MS m/z 0.0[/PROPERTY][PROPERTY]Other MS 105.\n", - "GT: 0.5 Gen: -0.0 diff: 0.5 [START_SMILES]NC(=O)c1cnc(N[C@H]2CCCNC2)c3cc(sc13)c4ccc(Cl)cc4[END_SMILES][PROPERTY]activity -0.0[/PROPERTY][PROPERTY]Other MS 115.07[/PROPERTY][PROPERTY]Other MS 116.06[/PROPERTY][PROPERTY]Other MS 291.1963 1[/PROPERTY][PROPERTY]Other MS 291.1963 1[/PROPERTY]\n", - "GT: 0.59 Gen: 0.93 diff: 0.34 [START_SMILES]Clc1ccc(c(Cl)c1)c2nnc3cccc(Cl)n23[END_SMILES][PROPERTY]activity 0.93[/PROPERTY][PROPERTY]Other MS 293.92[/PROPERTY][PROPERTY]Other MS 293.92[/PROPERTY][PROPERTY]Other MS 293.92[/PROPERTY][PROPERTY]Other MS 293.92[/PROPERTY][PROPERTY]Other MS 293.92[/PROPERTY][PROPERTY]Other MS 293.92[/PROPERTY]\n", - "GT: -0.06 Gen: 0.05 diff: 0.11 [START_SMILES]CN(C)CC(O)COc1ccc(Nc2cc(ncn2)N(CCC#N)c3cc(Cl)ccc3Cl)cc1[END_SMILES][PROPERTY]activity 0.05[/PROPERTY][PROPERTY]Other MS 115.07[/PROPERTY][PROPERTY]Other MS 117.065 100[/PROPERTY][PROPERTY]Other MS 119.065 100[/PROPERTY][PROPERTY]Other MS 117.\n", - "GT: -0.93 Gen: -0.81 diff: 0.12 [START_SMILES]NC(=O)Nc1sc(cc1C(=O)N[C@H]2CCCNC2)c3ccsc3[END_SMILES][PROPERTY]activity -0.81[/PROPERTY][PROPERTY]GHS Classification-0.81[/PROPERTY][PROPERTY]GHS Classification-0.81[/PROPERTY][PROPERTY]GHS Classification-0.81[/PROPERTY][PROPERTY]Other MS 115.03[/PROPERTY][PROPERTY]Other MS 109.03[/PROPERTY][PROPERTY]Other MS \n", - "GT: -0.19 Gen: -0.48 diff: 0.29 [START_SMILES]COc1cc(OC)c(cc1NC(=O)C)S(=O)(=O)N2C(C)Cc3ccccc23[END_SMILES][PROPERTY]activity -0.48[/PROPERTY][PROPERTY]Other-0.48[/PROPERTY][PROPERTY]Other MS 101.0602 100[/PROPERTY][PROPERTY]Other-0.74[/PROPERTY][PROPERTY]Other MS 103.0602 100\n", - "GT: -0.9 Gen: -0.99 diff: 0.09 [START_SMILES]O[C@@H](CNCCCOCCOCCc1ccccc1)c2ccc(O)c3NC(=O)Sc23[END_SMILES][PROPERTY]activity -0.99[/PROPERTY][PROPERTY]Other-0.99[/PROPERTY][PROPERTY]Other-0.99[/PROPERTY][PROPERTY]Other-0.99[/PROPERTY][PROPERTY]Other-0.99[/PROPERTY][PROPERTY]Other-0.99[/PROPERTY][PROPERTY]Other-0.99[/PROPERTY][PROPERTY]Other MS 10\n", - "GT: 0.6 Gen: 0.52 diff: 0.08 [START_SMILES]CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4ocnc34)n2)c1[END_SMILES][PROPERTY]activity 0.52[/PROPERTY][PROPERTY]Other MS 191.1481 100[/PROPERTY][PROPERTY]Other MS 209.19[/PROPERTY][PROPERTY]Other MS 219.1481 20.02[/PROPERTY][PROPERTY]Other MS 191.148\n", - "GT: -0.19 Gen: -0.2 diff: 0.01 [START_SMILES]Clc1ccc(cc1Cl)[C@@H]2CNCC=CC2[END_SMILES][PROPERTY]activity -0.2[/PROPERTY][PROPERTY]Other MS 131.07[/PROPERTY][PROPERTY]Other MS 119.0557[/PROPERTY][PROPERTY]Other MS 119.0657[/PROPERTY][PROPERTY]Other MS 119.0557[/PROPERTY][PROPERTY]Other MS 119.0557[/PROPERTY][PROPERTY]Other MS 119\n", - "GT: 0.6 Gen: 0.85 diff: 0.25 [START_SMILES]Fc1ccc(Nc2oc(nn2)C(=O)Nc3ccc(nc3)N4CCOCC4)cc1F[END_SMILES][PROPERTY]activity 0.85[/PROPERTY][PROPERTY]MS-MS m/z1[/PROPERTY][PROPERTY]MS-MS m/z1[/PROPERTY][PROPERTY]MS-MS m/z1[/PROPERTY][PROPERTY]MS-MS m/z1[/PROPERTY][PROPERTY]MS-MS m/z1[/PROPERTY][PROPERTY]MS-MS m/z1[/PROPERTY][PROPERTY]MS-\n", - "GT: 1.02 Gen: 0.85 diff: 0.17 [START_SMILES]COc1cc(ccc1Nc2ncc(Cl)c(n2)c3cnc4ccccn34)C(=O)N5CCOCC5[END_SMILES][PROPERTY]activity 0.85[/PROPERTY][PROPERTY]Other MS 115.07[/PROPERTY][PROPERTY]Other MS 116.06[/PROPERTY][PROPERTY]Other MS 107.06[/PROPERTY][PROPERTY]Other MS 109.06[/PROPERTY][PROPERTY]Other MS 10\n", - "GT: 1.6 Gen: 1.31 diff: 0.29 [START_SMILES]Oc1ccc(cc1)c2nc3ccccc3s2[END_SMILES][PROPERTY]activity 1.31[/PROPERTY][PROPERTY]Other MS 177.0557 100[/PROPERTY][PROPERTY]Other MS 191.0416 10.01[/PROPERTY][PROPERTY]Other MS 179.0557 1[/PROPERTY][PROPERTY]Other MS 151.039 10.01[/PROPERTY][PROPERTY]Other MS 1\n", - "GT: -0.22 Gen: -0.64 diff: 0.42 [START_SMILES]Nc1cc(ncn1)c2ccccc2[END_SMILES][PROPERTY]activity -0.64[/PROPERTY][PROPERTY]Other-0.64[/PROPERTY][PROPERTY]-0.64[/PROPERTY][PROPERTY]-0.64[/PROPERTY][PROPERTY]-0.64[/PROPERTY][PROPERTY]Other MS 109.02[/PROPERTY][PROPERTY]Other MS 109.02[/PROPERTY][PROPERTY]Other MS 109.02[/PROPERTY][PROPERTY]Other MS 109.02[/PROPERTY][PROPERTY]Other MS\n", - "GT: -0.33 Gen: -0.73 diff: 0.4 [START_SMILES]C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)nc(OCC4CC45CC5)nc23[END_SMILES][PROPERTY]activity -0.73[/PROPERTY][PROPERTY]GC-MS m1.03[/PROPERTY][PROPERTY]GC-0.48[/PROPERTY][PROPERTY]GC-0.48[/PROPERTY][PROPERTY]Other MS 119.07\n", - "GT: 0.68 Gen: 0.49 diff: 0.19 [START_SMILES]Cn1ncc(Cl)c1c2cc(sc2Cl)C(=O)N[C@H](CN)Cc3cccc(F)c3[END_SMILES][PROPERTY]activity 0.49[/PROPERTY][PROPERTY]Other MS 143.0271 100[/PROPERTY][PROPERTY]Other MS 111.001 100[/PROPERTY][PROPERTY]Other MS 77.02[/PROPERTY][PROPERTY]Other MS 121\n", - "GT: 0.78 Gen: 0.5 diff: 0.28 [START_SMILES]COCCNC(=O)c1ccc(Nc2ncc3cc(ccc3n2)c4cccnc4)cc1[END_SMILES][PROPERTY]activity 0.5[/PROPERTY][PROPERTY]Other MS 191.1481 0.5[/PROPERTY][/PROPERTY][PROPERTY]Other MS 192.1481 0.5[/PROPERTY][PROPERTY]Other MS 190.1481 0.5[/PROPERTY][PROPERTY]Other MS 190.\n", - "GT: 0.1 Gen: -0.06 diff: 0.16 [START_SMILES]S=C(NC1CCCCC1)N2CCC(CC2)c3cnc[nH]3[END_SMILES][PROPERTY]activity -0.06[/PROPERTY][PROPERTY]Other MS 101.06[/PROPERTY][PROPERTY]Other MS 119.0556 1[/PROPERTY][PROPERTY]Other MS 102.06[/PROPERTY][PROPERTY]Other MS 103.0556 1[/PROPERTY][PROPERTY]Other MS 102.06[/PROPERTY]\n", - "GT: -0.8 Gen: -0.98 diff: 0.18 [START_SMILES]C[C@H]1CN(Cc2cc(Cl)ccc2OCC(=O)O)CCN1C(=O)Cc3ccc(Cl)cc3[END_SMILES][PROPERTY]activity -0.98[/PROPERTY][PROPERTY]GHS Classification-0.89[/PROPERTY][PROPERTY]GHS Classification-0.89[/PROPERTY][PROPERTY]Other MS 101.02[/PROPERTY][PROPERTY]Other MS 100.02[/PROPERTY][PROPERTY]Other MS \n", - "GT: -0.4 Gen: 0.44 diff: 0.84 [START_SMILES]NS(=O)(=O)c1ccc(NCc2ccccc2)cc1[END_SMILES][PROPERTY]activity 0.44[/PROPERTY][PROPERTY]Other MS 101.07[/PROPERTY][PROPERTY]Other MS 103.06[/PROPERTY][PROPERTY]Other MS 105.06[/PROPERTY][PROPERTY]Other MS 127.06[/PROPERTY][PROPERTY]Other MS 104.05[/PROPERTY][PROPERTY]Other MS 101.06[/PROPERTY][PROPERTY]Other\n", - "GT: 0.31 Gen: 0.59 diff: 0.28 [START_SMILES]Fc1cc(Cl)ccc1N2CCN(CC2)C(=O)COCc3ccncc3[END_SMILES][PROPERTY]activity 0.59[/PROPERTY][PROPERTY]MS-0.19[/PROPERTY][PROPERTY]MS-0.19[/PROPERTY][PROPERTY]MS-0.19[/PROPERTY][PROPERTY]MS-0.19[/PROPERTY][PROPERTY]MS-0.19[/PROPERTY][PROPERTY]MS-0.19[/PROPERTY][PROPERTY]MS-0.19[/PROPERTY][PROPERTY]MS-0.\n", - "GT: 1.02 Gen: 0.85 diff: 0.17 [START_SMILES]COc1cc2ncc(C(=O)N)c(Nc3ccccc3C)c2cc1OC[END_SMILES][PROPERTY]activity 0.85[/PROPERTY][PROPERTY]Other MS 181.13[/PROPERTY][PROPERTY]Other MS 182.1438 1[/PROPERTY][PROPERTY]Other MS 184.1538 1[/PROPERTY][PROPERTY]Other MS 184.1538 1[/PROPERTY][PROPERTY]Other MS 1\n", - "GT: 1.02 Gen: 0.85 diff: 0.17 [START_SMILES]CCOc1ccc2nc(NC(=O)CC)sc2c1[END_SMILES][PROPERTY]activity 0.85[/PROPERTY][PROPERTY]Other MS 115.03[/PROPERTY][PROPERTY]Other MS 113.02[/PROPERTY][PROPERTY]Other MS 115.02[/PROPERTY][PROPERTY]Other MS 116.04[/PROPERTY][PROPERTY]Other MS 147.0241 1[/PROPERTY][PROPERTY]Other MS 115.0241 \n", - "GT: -0.79 Gen: -0.35 diff: 0.44 [START_SMILES]CCC(=O)N1CCN(CC1)C(=O)c2cc(CC3=NNC(=O)c4ccccc34)ccc2F[END_SMILES][PROPERTY]activity -0.35[/PROPERTY][PROPERTY]Other MS 101.03[/PROPERTY][PROPERTY]Other MS 113.03[/PROPERTY][PROPERTY]Other MS 115.03[/PROPERTY][PROPERTY]Other MS 351.1471 10\n", - "GT: 0.31 Gen: 0.19 diff: 0.12 [START_SMILES]CCOc1cc(Nc2nc3c(cc2F)ncn3[C@@H](CO)c4ccc(F)cn4)n[nH]1[END_SMILES][PROPERTY]activity 0.19[/PROPERTY][PROPERTY]Other MS 115.07589 1.18[/PROPERTY][PROPERTY]Other MS 109.06519 1.18[/PROPERTY][PROPERTY]Other MS 109.065\n", - "GT: -2.23 Gen: -2.22 diff: 0.01 [START_SMILES]NC(=N)NC(=O)c1nc(Cl)c(NCc2ccncc2)nc1N[END_SMILES][PROPERTY]activity -2.22[/PROPERTY][PROPERTY]GHS Classification-2.22[/PROPERTY][PROPERTY]GHS Classification-2.22[/PROPERTY][PROPERTY]Other-2.22[/PROPERTY][PROPERTY]Other MS -2.22[/PROPERTY][PROPERTY]Other MS -22[/PROPERTY][PROPERTY]Other MS -22[/PROPERTY][PROPERTY]Other MS 17\n", - "GT: -0.26 Gen: -0.4 diff: 0.14 [START_SMILES]Fc1cc(cc(F)c1CN2CCOCC2)c3cccc4ncc(nc34)c5cnn(c5)C6CCNCC6[END_SMILES][PROPERTY]activity -0.4[/PROPERTY][PROPERTY]Other MS 105.07[/PROPERTY][PROPERTY]-0.4[/PROPERTY][PROPERTY]-0.4[/PROPERTY][PROPERTY]-0.4[/PROPERTY][PROPERTY]-0.4[/PROPERTY][PROPERTY]-0.4[/PROPERTY][PROPERTY]-0.4[/PROPERTY][PROPERTY]\n", - "GT: -1.75 Gen: -0.73 diff: 1.02 [START_SMILES]NC(=O)c1cccc(O[C@@H]2C[C@H]3CC[C@@H](C2)N3CC4CC4)c1[END_SMILES][PROPERTY]activity -0.73[/PROPERTY][PROPERTY]Other-0.73[/PROPERTY][PROPERTY]Other MS 105.02[/PROPERTY][PROPERTY]Other MS 107.02[/PROPERTY][PROPERTY]Other MS 109.02[/PROPERTY][PROPERTY]Other MS 10\n", - "GT: 0.31 Gen: 0.69 diff: 0.38 [START_SMILES]CC(C)N1C(=O)N(C)C(=O)c2c1sc(Cc3ccccc3C(F)(F)F)c2C(=O)N4CCS(=O)(=O)C4[END_SMILES][PROPERTY]activity 0.69[/PROPERTY][PROPERTY]Other MS 143.1071[/PROPERTY][PROPERTY]Other MS 111.039 100\n", - "GT: 0.17 Gen: 0.52 diff: 0.35 [START_SMILES]C[C@H]1COCCN1c2cc(CS(=O)(=O)C)nc(n2)c3ccc4[nH]ccc4c3[END_SMILES][PROPERTY]activity 0.52[/PROPERTY][PROPERTY]Other MS 140.0431 0.77[/PROPERTY][PROPERTY]Other MS 177.0695 0.77[/PROPERTY][PROPERTY]Other MS 140.043\n", - "GT: -1.09 Gen: -1.89 diff: 0.8 [START_SMILES]CCc1ccc(CCNCCCSCCNC[C@H](O)c2ccc(O)c3NC(=O)Sc23)cc1[END_SMILES][PROPERTY]activity -1.89[/PROPERTY][PROPERTY]GHS Classification Not Classified[/PROPERTY][PROPERTY]GHS Classification Reported as not meeting GHS hazard criteria by 129[/PROPERTY][PROPERTY]GHS Classification Of the 11 notification(s) provided by 129[/PROPERTY][PROPERTY]GHS Classification Reported\n", - "GT: 0.29 Gen: -0.15 diff: 0.44 [START_SMILES]NC1=NC(=CC(=O)N1)CCc2cccc(Br)c2[END_SMILES][PROPERTY]activity -0.15[/PROPERTY][PROPERTY]Other MS 165.03[/PROPERTY][PROPERTY]Other MS 164.027 0.15[/PROPERTY][PROPERTY]Other MS 163.027 0.15[/PROPERTY][PROPERTY]Other MS 165.027 0.15[/PROPERTY][PROPERTY]Other MS \n", - "GT: 0.69 Gen: 0.93 diff: 0.24 [START_SMILES]Oc1ccc(cc1)C2=Cc3ccccc3OC2=O[END_SMILES][PROPERTY]activity 0.93[/PROPERTY][PROPERTY]Other MS 161.0431 100[/PROPERTY][PROPERTY]Other MS 149.039 5.13[/PROPERTY][PROPERTY]Other MS 121.0215 5.13[/PROPERTY][PROPERTY]Other MS 123.0215 5.13[/PROPERTY]\n", - "GT: 0.93 Gen: 0.69 diff: 0.24 [START_SMILES]C[C@@H]1CN(CCN1c2ncc(OCc3ccc(cc3C#N)S(=O)(=O)C)cn2)C(=O)OC(C)(C)C[END_SMILES][PROPERTY]activity 0.69[/PROPERTY][PROPERTY]Other MS 115.07[/PROPERTY][PROPERTY]Other MS 114.0658 5.01[/PROPERTY][PROPERTY]Other MS 57\n", - "GT: -0.31 Gen: 0.1 diff: 0.41 [START_SMILES]COc1cc(OC2CCNCC2)ccc1Nc3ncc(Cl)c(n3)c4cnc5ccccn45[END_SMILES][PROPERTY]activity 0.1[/PROPERTY][PROPERTY]Other MS 183.07[/PROPERTY][PROPERTY]Other MS 185.08[/PROPERTY][PROPERTY]Other MS 185.07[/PROPERTY][PROPERTY]Other MS 185.06[/PROPERTY][PROPERTY]Other MS 185.07[/PROPERTY][PROPERTY]\n", - "GT: -0.14 Gen: -1.14 diff: 1.0 [START_SMILES]CN(C1CCCCC1)C(=O)c2cnn(c2NS(=O)(=O)c3ccc(C)cc3)c4ccccc4[END_SMILES][PROPERTY]activity -1.14[/PROPERTY][PROPERTY]Other-1.14[/PROPERTY][PROPERTY]Other MS 101.05[/PROPERTY][PROPERTY]Other MS 119.02[/PROPERTY][PROPERTY]Other MS 103.02[/PROPERTY][PROPERTY]Other MS 1\n", - "GT: -0.08 Gen: -0.4 diff: 0.32 [START_SMILES]COc1ccc2nccc(C(O)C3CC4(CCN3CC4)C=C)c2c1[END_SMILES][PROPERTY]activity -0.4[/PROPERTY][PROPERTY]Other MS 119.07[/PROPERTY][PROPERTY]Other MS 133.06[/PROPERTY][PROPERTY]Other MS 117.06[/PROPERTY][PROPERTY]Other MS 115.05[/PROPERTY][PROPERTY]Other MS 117.06[/PROPERTY][PROPERTY]Other MS \n", - "GT: 1.13 Gen: 1.02 diff: 0.11 [START_SMILES]COc1ccccc1N2CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC2[END_SMILES][PROPERTY]activity 1.02[/PROPERTY][PROPERTY]GC-MS m/z Top Peak: 105[/PROPERTY][PROPERTY]GC-MS m/z 0.7[/PROPERTY][PROPERTY]GC-MS m/z 0.7[/PROPERTY][PROPERTY]GC-MS m/z 0.7[/PROPERTY][PROPERTY]GC-MS m/z 0\n", - "GT: -0.92 Gen: -0.64 diff: 0.28 [START_SMILES]Cc1nc(CS(=O)(=O)c2ccccc2)cc(n1)N3CCOCC3[END_SMILES][PROPERTY]activity -0.64[/PROPERTY][PROPERTY]Other-0.64[/PROPERTY][PROPERTY]Other MS 1.02[/PROPERTY][PROPERTY]Other MS 101.06[/PROPERTY][PROPERTY]Other MS 119.05[/PROPERTY][PROPERTY]Other MS 103.06[/PROPERTY][PROPERTY]Other MS 105.\n", - "GT: 0.85 Gen: 0.93 diff: 0.08 [START_SMILES]Nc1ncnc2nc(cc(c3cccc(Br)c3)c12)c4ccc(nc4)N5CCOCC5[END_SMILES][PROPERTY]activity 0.93[/PROPERTY][PROPERTY]Other MS 149.07593[/PROPERTY][PROPERTY]Other MS 169.07593[/PROPERTY][PROPERTY]Other MS 169.07593[/PROPERTY][PROPERTY]Other MS 169.07593\n", - "GT: -0.25 Gen: -1.06 diff: 0.81 [START_SMILES]CCC(CC)n1nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)c1NS(=O)(=O)c2ccc(C)cc2[END_SMILES][PROPERTY]activity -1.06[/PROPERTY][PROPERTY]Other MS 156.0388 5.06[/PROPERTY][PROPERTY]Other MS 10.06[/PROPERTY][PROPERTY]Other MS 11.\n", - "GT: -1.79 Gen: -1.29 diff: 0.5 [START_SMILES]O[C@@H](CNCCc1ccc(NC[C@H](O)c2ccccc2)cc1)c3ccc(O)c(NC=O)c3[END_SMILES][PROPERTY]activity -1.29[/PROPERTY][PROPERTY]Other-1.29[/PROPERTY][PROPERTY]Other-1.29[/PROPERTY][PROPERTY]Other-1.29[/PROPERTY][PROPERTY]Other MS 101.02[/PROPERTY][PROPERTY]Other MS 103.0\n", - "GT: 0.79 Gen: 1.02 diff: 0.23 [START_SMILES]CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c2cccc3ccccc23[END_SMILES][PROPERTY]activity 1.02[/PROPERTY][PROPERTY]GC-MS m/z Top Peak: 177[/PROPERTY][PROPERTY]GC-MS m/z 2.1[/PROPERTY][PROPERTY]GC-MS m/z 3rd Highest: 178[/PROPERTY][NUMHDONORS]2[/NUMHDONORS][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][TPSA]75.\n", - "GT: 0.54 Gen: -0.48 diff: 1.02 [START_SMILES]COc1ccc(cc1C(=O)N)c2ccc3c(nc(nc3n2)N4CCOC[C@@H]4C)N5CCOC[C@@H]5C[END_SMILES][PROPERTY]activity -0.48[/PROPERTY][PROPERTY]Other-0.48[/PROPERTY][PROPERTY]-0.48[/PROPERTY][PROPERTY]-0.48[/PROPERTY][PROPERTY]-0.48[/PROPERTY][PROPERTY]-0.48[/PROPERTY][PROPERTY]-0\n", - "GT: -1.14 Gen: -1.29 diff: 0.15 [START_SMILES]NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-][END_SMILES][PROPERTY]activity -1.29[/PROPERTY][PROPERTY]GC-MS m/z -0.9[/PROPERTY][PROPERTY]GC-MS m/z -0.7[/PROPERTY][PROPERTY]Other MS 101.98[/PROPERTY][PROPERTY]Other MS 103.98[/PROPERTY][PROPERTY]Other\n", - "GT: -2.24 Gen: -2.1 diff: 0.14 [START_SMILES]CS(=O)(=O)c1ccc(c(Cl)c1)c2cc(ccc2OCC(=O)O)C(F)(F)F[END_SMILES][PROPERTY]activity -2.1[/PROPERTY][PROPERTY]Other-2.1[/PROPERTY][PROPERTY]Other MS--1.6[/PROPERTY][PROPERTY]Other MS -1.6[/PROPERTY][PROPERTY]Other MS -1.6[/PROPERTY][PROPERTY]Other MS -1.6[/PROPERTY][PROPERTY]Other MS 1\n", - "GT: -0.93 Gen: -0.06 diff: 0.87 [START_SMILES]Cn1cc(CN2CCc3cc4nc(N)sc4cc3CC2)cn1[END_SMILES][PROPERTY]activity -0.06[/PROPERTY][PROPERTY]Other MS 101.07[/PROPERTY][PROPERTY]-0.07[/PROPERTY][PROPERTY]-0.07[/PROPERTY][PROPERTY]-0.07[/PROPERTY][PROPERTY]-0.07[/PROPERTY][PROPERTY]Other MS 101.07[/PROPERTY][PROPERTY]Other MS 101.07[/PROPERTY][PROPERTY]Other MS \n", - "GT: -0.57 Gen: -0.89 diff: 0.32 [START_SMILES]Cc1ccsc1C(=CCCN2CCC[C@H](C2)C(=O)O)c3sccc3C[END_SMILES][PROPERTY]activity -0.89[/PROPERTY][PROPERTY]Other-1.39[/PROPERTY][PROPERTY]Other MS 101.03[/PROPERTY][PROPERTY]Other MS 102.02[/PROPERTY][PROPERTY]Other MS 103.02[/PROPERTY][PROPERTY]Other MS 101.02[/PROPERTY][PROPERTY]Other\n", - "GT: -0.05 Gen: -0.98 diff: 0.93 [START_SMILES]CN1C[C@H](c2ccccc2)c3cccc(N)c3C1[END_SMILES][PROPERTY]activity -0.98[/PROPERTY][PROPERTY]-0.74[/PROPERTY][PROPERTY]-0.2[/PROPERTY][PROPERTY]-0.2[/PROPERTY][PROPERTY]-0.2[/PROPERTY][PROPERTY]Other MS 103.07[/PROPERTY][PROPERTY]Other MS 115.06[/PROPERTY][PROPERTY]Other MS 117.0557 1[/PROPERTY][PROPERTY]Other\n", - "GT: -1.38 Gen: -0.89 diff: 0.49 [START_SMILES]CC(N1NC(=O)c2nc3cc(Cl)ccc3c(O)c2C1=O)c4ccccn4[END_SMILES][PROPERTY]activity -0.89[/PROPERTY][PROPERTY]Other-0.89[/PROPERTY][PROPERTY]-0.89[/PROPERTY][PROPERTY]-0.89[/PROPERTY][PROPERTY]-0.89[/PROPERTY][PROPERTY]-0.89[/PROPERTY][PROPERTY]-0.89[/PROPERTY][PROPERTY]-0.89[/PROPERTY][PROPERTY]-0.\n", - "GT: 0.38 Gen: 0.52 diff: 0.14 [START_SMILES]CNc1c(Cl)cnc2[nH]c(nc12)c3ccc(OCCN4CCOCC4)cc3[END_SMILES][PROPERTY]activity 0.52[/PROPERTY][PROPERTY]Other MS 171.1171 100[/PROPERTY][PROPERTY]Other MS 115.0759 100[/PROPERTY][PROPERTY]Other MS 114.0663 10.01[/PROPERTY][PROPERTY]Other\n", - "GT: -0.75 Gen: -0.98 diff: 0.23 [START_SMILES]OC(=O)COCCN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3[END_SMILES][PROPERTY]activity -0.98[/PROPERTY][PROPERTY]-0.4[/PROPERTY][PROPERTY]-0.4[/PROPERTY][PROPERTY]-0.4[/PROPERTY][PROPERTY]-0.4[/PROPERTY][PROPERTY]-0.4[/PROPERTY][PROPERTY]-0.4[/PROPERTY][PROPERTY]-0.4[/PROPERTY][PROPERTY]-0.4[/PROPERTY][PROPERTY]-0.4[/PROPERTY][PROPERTY]-0.\n", - "GT: -1.38 Gen: -1.31 diff: 0.07 [START_SMILES]Nc1nccc(n1)c2cc3C(=O)NC[C@@H](CCF)c3[nH]2[END_SMILES][PROPERTY]activity -1.31[/PROPERTY][PROPERTY]Other-1.31[/PROPERTY][PROPERTY]Other MS -1.02[/PROPERTY][PROPERTY]Other MS -1.04[/PROPERTY][PROPERTY]Other MS 101.04[/PROPERTY][PROPERTY]Other MS 127.0492 100\n", - "GT: -0.45 Gen: -1.02 diff: 0.57 [START_SMILES]COc1cc(O)c2C(=O)O[C@@H](C)C\\C=C/C(=O)[C@@H](O)[C@@H](O)C\\C=C\\c2c1[END_SMILES][PROPERTY]activity -1.02[/PROPERTY][PROPERTY]LC-1.02[/PROPERTY][PROPERTY]LC-1.02[/PROPERTY][PROPERTY]LC-1.02[/PROPERTY][PROPERTY]LC-1.\n", - "GT: 0.93 Gen: 0.81 diff: 0.12 [START_SMILES]CC(C)N1CCC[C@H](CN2C(=Nc3ccc(cc3C2=O)c4ccc(Cl)cc4)C)C1[END_SMILES][PROPERTY]activity 0.81[/PROPERTY][PROPERTY]GHS Classification Warning[/PROPERTY][PROPERTY]GHS Classification H302 (100[/PROPERTY][PROPERTY]Other MS 283.2635 100[/PROPERTY][PROPERTY]Other MS 613.39\n", - "GT: -0.14 Gen: -0.57 diff: 0.43 [START_SMILES]CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H]2CCCN(Cc3ccccc3)C2[END_SMILES][PROPERTY]activity -0.57[/PROPERTY][PROPERTY]LC-0.44[/PROPERTY][PROPERTY]LC-0.44[/PROPERTY][PROPERTY]LC-0.44[/PROPERTY][PROPERTY]Other MS 111.07[/PROPERTY][PROPERTY]Other MS\n", - "GT: 0.98 Gen: 0.93 diff: 0.05 [START_SMILES]CN1CCC(CC1)n2cc(cn2)c3cnc(N)c(c3)c4oc5cc(F)ccc5n4[END_SMILES][PROPERTY]activity 0.93[/PROPERTY][PROPERTY]Other MS 141.1277 1[/PROPERTY][PROPERTY]Other MS 143.1383 1[/PROPERTY][PROPERTY]Other MS 141.1277 1[/PROPERTY][PROPERTY]Other MS 141\n", - "GT: 0.76 Gen: 1.02 diff: 0.26 [START_SMILES]CO[C@@H]1C[C@@H](N(Cc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)C1)C(=O)N[END_SMILES][PROPERTY]activity 1.02[/PROPERTY][PROPERTY]Other MS 115.07[/PROPERTY][PROPERTY]Other MS 113.0651 100[/PROPERTY][PROPERTY]Other MS 114.0667 \n", - "GT: 1.27 Gen: 1.35 diff: 0.08 [START_SMILES]Oc1ccc(cc1)c2csc(n2)c3ccc(O)cc3[END_SMILES][PROPERTY]activity 1.35[/PROPERTY][PROPERTY]GC-MS m/z Top Peak: 191[/PROPERTY][PROPERTY]GC-MS m/z 2.77[/PROPERTY][PROPERTY]GC-MS m/z 3rd Highest: 192[/PROPERTY][PROPERTY]GC-MS m/z Top Peak: 191[/PROPERTY][PROPERTY]GC-MS m/\n", - "GT: -2.43 Gen: -2.57 diff: 0.14 [START_SMILES]CS(=O)(=O)c1ccc(c(Cl)c1)c2cc(Cl)ccc2OCC(=O)O[END_SMILES][PROPERTY]activity -2.57[/PROPERTY][PROPERTY]-2.57[/PROPERTY][PROPERTY]-2.57[/PROPERTY][PROPERTY]-2.57[/PROPERTY][PROPERTY]-2.57[/PROPERTY][PROPERTY]-2.57[/PROPERTY][PROPERTY]-2.57[/PROPERTY][PROPERTY]-2.57[/PROPERTY][PROPERTY]Other MS 1\n", - "GT: 1.03 Gen: 0.85 diff: 0.18 [START_SMILES]Cc1cc(n[nH]1)c2ccc(Cl)c(c2)C(=O)NCC3(O)CCCCCC3[END_SMILES][PROPERTY]activity 0.85[/PROPERTY][PROPERTY]Other0.85[/PROPERTY][PROPERTY]Other MS 181.18[/PROPERTY][PROPERTY]Other MS 182.19[/PROPERTY][PROPERTY]Other MS 182.19[/PROPERTY][PROPERTY]Other MS 182.19[/PROPERTY][PROPERTY]\n", - "GT: 0.1 Gen: 0.44 diff: 0.34 [START_SMILES]CC1=CC2=NNC(=O)N2c3cc(ccc13)c4ccncc4[END_SMILES][PROPERTY]activity 0.44[/PROPERTY][PROPERTY]Other MS 101.05[/PROPERTY][PROPERTY]Other MS 103.06[/PROPERTY][PROPERTY]Other MS 104.06[/PROPERTY][PROPERTY]Other MS 105.05[/PROPERTY][PROPERTY]Other MS 106.06[/PROPERTY][PROPERTY]Other MS 104\n", - "GT: -1.57 Gen: -1.14 diff: 0.43 [START_SMILES]C[C@H](NC(=O)c1c(C)nn(c1NS(=O)(=O)c2cccc(CN3CCOCC3)c2)c4ccccc4)C(C)(C)C[END_SMILES][PROPERTY]activity -1.14[/PROPERTY][PROPERTY]Other-1.14[/PROPERTY][PROPERTY]Other MS 1.14[/PROPERTY][PROPERTY]Other MS 115.11119\n", - "GT: 1.24 Gen: 0.93 diff: 0.31 [START_SMILES]COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC[END_SMILES][PROPERTY]activity 0.93[/PROPERTY][PROPERTY]Other MS 195.1744 1[/PROPERTY][PROPERTY]Other MS 197.18[/PROPERTY][PROPERTY]Other MS 199.1697 1[/PROPERTY][PROPERTY]Other MS 197.18[/PROPERTY][PROPERTY]Other MS 197.18[/PROPERTY][PROPERTY]\n", - "GT: 0.69 Gen: 0.44 diff: 0.25 [START_SMILES]N#Cc1ccc(Nc2nccc(NC3CC3)n2)cc1[END_SMILES][PROPERTY]activity 0.44[/PROPERTY][PROPERTY]Other MS 131.07[/PROPERTY][PROPERTY]Other MS 105.06[/PROPERTY][PROPERTY]Other MS 107.06[/PROPERTY][PROPERTY]Other MS 127.06[/PROPERTY][PROPERTY]Other MS 109.05[/PROPERTY][PROPERTY]Other MS 127.06[/PROPERTY][PROPERTY]Other\n", - "GT: 0.87 Gen: 0.93 diff: 0.06 [START_SMILES]CSc1nc2cc(Cl)ccc2[nH]1[END_SMILES][PROPERTY]activity 0.93[/PROPERTY][PROPERTY]Other MS 171.02[/PROPERTY][PROPERTY]Other MS 172.02[/PROPERTY][PROPERTY]Other MS 164.02[/PROPERTY][PROPERTY]Other MS 214.0482 1[/PROPERTY][PROPERTY]Other MS 171.02[/PROPERTY][PROPERTY]Other MS 171.02[/PROPERTY][PROPERTY]Other MS \n", - "GT: 0.39 Gen: -0.23 diff: 0.62 [START_SMILES]CC(C)(c1cc(nc(n1)c2cccc3[nH]ccc23)N4CCOCC4)S(=O)(=O)C[END_SMILES][PROPERTY]activity -0.23[/PROPERTY][PROPERTY]Other MS 149.0759 100[/PROPERTY][PROPERTY]Other MS 101.0685 100[/PROPERTY][PROPERTY]Other MS 393.1518\n", - "GT: -0.75 Gen: -0.89 diff: 0.14 [START_SMILES]Cc1ccc2c(c1)c(c(C)n2CC(=O)O)c3ccnc4c(Cl)cccc34[END_SMILES][PROPERTY]activity -0.89[/PROPERTY][PROPERTY]Other-0.89[/PROPERTY][PROPERTY]Other-0.89[/PROPERTY][PROPERTY]Other-0.89[/PROPERTY][PROPERTY]Other-0.89[/PROPERTY][PROPERTY]Other MS 103.02[/PROPERTY][PROPERTY]Other MS 101.0\n", - "GT: -0.15 Gen: -0.35 diff: 0.2 [START_SMILES]NC(=O)c1cccc(O[C@@H]2C[C@H]3CC[C@@H](C2)N3CCc4ccccc4)c1[END_SMILES][PROPERTY]activity -0.35[/PROPERTY][PROPERTY]Other MS 105.03[/PROPERTY][PROPERTY]Other MS 107.03[/PROPERTY][PROPERTY]Other MS 109.03[/PROPERTY][PROPERTY]Other MS 107.03[/PROPERTY][PROPERTY]\n", - "GT: -0.55 Gen: -1.14 diff: 0.59 [START_SMILES]Clc1ccc2C(=O)C3=C(Nc2c1)C(=O)NN(Cc4cccs4)C3=O[END_SMILES][PROPERTY]activity -1.14[/PROPERTY][PROPERTY]Other-1.14[/PROPERTY][PROPERTY]-0.89[/PROPERTY][PROPERTY]-0.89[/PROPERTY][PROPERTY]-0.89[/PROPERTY][PROPERTY]-0.89[/PROPERTY][PROPERTY]-0.89[/PROPERTY][PROPERTY]-0.89[/PROPERTY][PROPERTY]\n", - "GT: -1.44 Gen: -1.69 diff: 0.25 [START_SMILES]CC[C@H]1CN(Cc2cc(Cl)ccc2OCC(=O)O)CCN1S(=O)(=O)c3ccccc3[END_SMILES][PROPERTY]activity -1.69[/PROPERTY][PROPERTY]-1.69[/PROPERTY][PROPERTY]-1.69[/PROPERTY][PROPERTY]-1.69[/PROPERTY][PROPERTY]-1.69[/PROPERTY][PROPERTY]-1.69[/PROPERTY][PROPERTY]-1.69[/PROPERTY][PROPERTY]-1.\n", - "GT: 0.84 Gen: 0.93 diff: 0.09 [START_SMILES]CC1=CC2=NNC(=O)N2c3cc(ccc13)c4ccccc4CO[END_SMILES][PROPERTY]activity 0.93[/PROPERTY][PROPERTY]Other MS 191.1481 1.18[/PROPERTY][PROPERTY]Other MS 179.1481 1.18[/PROPERTY][PROPERTY]Other MS 179.1481 1.18[/PROPERTY][PROPERTY]Other MS 179.\n", - "GT: -0.98 Gen: -1.06 diff: 0.08 [START_SMILES]Fc1ccc(CC2=NNC(=O)c3ccccc23)cc1N4C(=O)CCC4=O[END_SMILES][PROPERTY]activity -1.06[/PROPERTY][PROPERTY]Other-1.06[/PROPERTY][PROPERTY]-1.06[/PROPERTY][PROPERTY]-1.06[/PROPERTY][PROPERTY]-1.06[/PROPERTY][PROPERTY]-1.06[/PROPERTY][PROPERTY]-1.06[/PROPERTY][PROPERTY]Other MS 111.0272 \n", - "GT: -0.55 Gen: -0.89 diff: 0.34 [START_SMILES]C[C@H]1CN(Cc2cc(Cl)ccc2CCC(=O)O)CCN1C(=O)Cc3ccccc3[END_SMILES][PROPERTY]activity -0.89[/PROPERTY][PROPERTY]Other-1.39[/PROPERTY][PROPERTY]-0.89[/PROPERTY][PROPERTY]-0.89[/PROPERTY][PROPERTY]-0.89[/PROPERTY][PROPERTY]-0.89[/PROPERTY][PROPERTY]-0.89[/PROPERTY][PROPERTY]-0.89[/PROPERTY]\n", - "GT: 0.84 Gen: 0.69 diff: 0.15 [START_SMILES]CC(C)CN1C(=O)N(C)C(=O)c2c1sc(Cc3ccccc3C(F)(F)F)c2C(=O)N4CC(C)(O)C4[END_SMILES][PROPERTY]activity 0.69[/PROPERTY][NUMROTATABLEBONDS]5[/NUMROTATABLEBONDS][NHOHCOUNT]1[/NHOHCOUNT][NUMSATURATEDCARBOCYCLES]0[/NUMSATURATEDCARBOCYCLES][QED]0.62[/QED][NUMALIPHATICRINGS]2[/NUMALIPHATICRINGS][NUMHETEROATOMS]12[/NUMHETEROATOMS][TPSA]98.23[/TPSA][IUPAC]5\n", - "GT: 0.52 Gen: 0.85 diff: 0.33 [START_SMILES]COc1cc(ccc1Nc2ncc(C#N)c(n2)c3cnc4ccccn34)N5CCN(CC5)C(=O)C[END_SMILES][PROPERTY]activity 0.85[/PROPERTY][PROPERTY]Other MS 115.07[/PROPERTY][PROPERTY]Other MS 114.06[/PROPERTY][PROPERTY]Other MS 108.05[/PROPERTY][PROPERTY]Other MS 96.06[/PROPERTY][PROPERTY]Other\n", - "GT: 1.12 Gen: 0.85 diff: 0.27 [START_SMILES]COc1ccc(OC)c(CNC(=O)c2cccnc2Oc3ccccc3)c1[END_SMILES][PROPERTY]activity 0.85[/PROPERTY][PROPERTY]Other MS 164.0431 100[/PROPERTY][PROPERTY]Other MS 142.0431 20.02[/PROPERTY][PROPERTY]Other MS 100.04[/PROPERTY][PROPERTY]Other MS 118.0431 10\n", - "GT: 0.6 Gen: 0.93 diff: 0.33 [START_SMILES]CN(C(=O)C)c1ccc2ccn(c3cc(NC4CC4)n5ncc(C#N)c5n3)c2c1[END_SMILES][PROPERTY]activity 0.93[/PROPERTY][PROPERTY]GC-MS m/z Top Peak: 119[/PROPERTY][PROPERTY]GC-MS m/z 0.93[/PROPERTY][PROPERTY]GC-MS m/z 0.94[/PROPERTY][PROPERTY]GC-0[/PROPERTY][PROPERTY]\n", - "GT: 0.27 Gen: 0.77 diff: 0.5 [START_SMILES]COC(=O)N1CCOc2cc(COc3ccccc3)cnc12[END_SMILES][PROPERTY]activity 0.77[/PROPERTY][PROPERTY]Other MS 117.0758 1[/PROPERTY][PROPERTY]Other MS 119.06[/PROPERTY][PROPERTY]Other MS 131.0763 1[/PROPERTY][PROPERTY]Other MS 119.0763 1[/PROPERTY][PROPERTY]Other MS 119.07\n", - "GT: 0.29 Gen: 0.77 diff: 0.48 [START_SMILES]CC(C)Cn1cnc2c(N)nc3ccccc3c12[END_SMILES][PROPERTY]activity 0.77[/PROPERTY][PROPERTY]Other MS 145.08[/PROPERTY][PROPERTY]Other MS 129.07[/PROPERTY][PROPERTY]Other MS 143.08[/PROPERTY][PROPERTY]Other MS 129.06[/PROPERTY][PROPERTY]Other MS 145.08[/PROPERTY][PROPERTY]Other MS 129.07[/PROPERTY][PROPERTY]Other MS\n", - "GT: 1.77 Gen: 1.41 diff: 0.36 [START_SMILES]CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc3cncs3)Cc4ccccc4[END_SMILES][PROPERTY]activity 1.41[/PROPERTY][PROPERTY]LC-MS\n", - "GT: 0.76 Gen: 0.44 diff: 0.32 [START_SMILES]OCc1ccc2ccn(c3cc(NC4CC4)n5ncc(C#N)c5n3)c2c1[END_SMILES][PROPERTY]activity 0.44[/PROPERTY][PROPERTY]Other MS 175.1228 1[/PROPERTY][PROPERTY]Other MS 176.12[/PROPERTY][PROPERTY]Other MS 174.12[/PROPERTY][PROPERTY]Other MS 174.12[/PROPERTY][PROPERTY]Other MS 174\n", - "GT: 0.05 Gen: -0.23 diff: 0.28 [START_SMILES]Cc1cc(ccc1O[C@H]2C[C@H]3CC[C@@H](C2)N3Cc4ccccc4)C(=O)N[END_SMILES][PROPERTY]activity -0.23[/PROPERTY][PROPERTY]Other MS 101.05[/PROPERTY][PROPERTY]Other MS 103.05[/PROPERTY][PROPERTY]Other MS 105.06[/PROPERTY][PROPERTY]Other MS 104.06\n", - "GT: -2.23 Gen: -1.9 diff: 0.33 [START_SMILES]CS(=O)(=O)c1ccc2OCC(=O)N(CCN3CCC(CC3)NCc4ccc5OCC(=O)Nc5n4)c2c1[END_SMILES][PROPERTY]activity -1.9[/PROPERTY][PROPERTY]Other-1.9[/PROPERTY][PROPERTY]Other MS-1.9[/PROPERTY][PROPERTY]Other MS 111.02[/PROPERTY][PROPERTY]Other MS 111.02[/PROPERTY][PROPERTY]Other MS \n", - "GT: 0.05 Gen: -0.89 diff: 0.94 [START_SMILES]Cc1c(F)ccc2c1c(Sc3ccc(Cl)cc3)c(C)n2CC(=O)O[END_SMILES][PROPERTY]activity -0.89[/PROPERTY][PROPERTY]Other-0.89[/PROPERTY][PROPERTY]Other-0.89[/PROPERTY][PROPERTY]Other MS 101.02[/PROPERTY][PROPERTY]Other MS 117.02[/PROPERTY][PROPERTY]Other MS 103.02[/PROPERTY][PROPERTY]Other MS 17\n", - "GT: -1.93 Gen: -1.56 diff: 0.37 [START_SMILES]CC(N)C(=O)Nc1c(C)cccc1C[END_SMILES][PROPERTY]activity -1.56[/PROPERTY][PROPERTY]Other-1.56[/PROPERTY][PROPERTY]-1.56[/PROPERTY][PROPERTY]-1.56[/PROPERTY][PROPERTY]-1.56[/PROPERTY][PROPERTY]Other MS -1.56[/PROPERTY][PROPERTY]Other MS 103.02[/PROPERTY][PROPERTY]Other MS 115.03[/PROPERTY][PROPERTY]Other MS 105.02\n", - "GT: 1.0 Gen: 0.77 diff: 0.23 [START_SMILES]Clc1ccc(N2CCN(CC2)C(=O)COCc3ccncc3)c(Cl)c1[END_SMILES][PROPERTY]activity 0.77[/PROPERTY][PROPERTY]MS-0.19[/PROPERTY][PROPERTY]MS-0.19[/PROPERTY][PROPERTY]MS-0.19[/PROPERTY][PROPERTY]MS-0.19[/PROPERTY][PROPERTY]MS-0.19[/PROPERTY][PROPERTY]MS-0.19[/PROPERTY][PROPERTY]MS-0.19[/PROPERTY][PROPERTY]\n", - "GT: 1.68 Gen: 0.93 diff: 0.75 [START_SMILES]FC(F)(F)c1cc(COCC(N2CCNCC2)c3cccc(Cl)c3)cc(c1)C(F)(F)F[END_SMILES][PROPERTY]activity 0.93[/PROPERTY][PROPERTY]Other MS 191.1019[/PROPERTY][PROPERTY]Other MS 192.1019[/PROPERTY][PROPERTY]Other MS 192.1019[/PROPERTY][PROPERTY]Other MS 192.\n", - "GT: 1.6 Gen: 0.93 diff: 0.67 [START_SMILES]Cc1ccc(cc1)c2nn(c3ncnc(N)c23)C(C)(C)C[END_SMILES][PROPERTY]activity 0.93[/PROPERTY][PROPERTY]Other MS 161.1171 1[/PROPERTY][PROPERTY]Other MS 162.1277 1[/PROPERTY][PROPERTY]Other MS 164.1377 10[/PROPERTY][PROPERTY]Other MS 162.1277 \n", - "GT: -0.56 Gen: -0.0 diff: 0.56 [START_SMILES]Clc1ccc(OC2CCN(CC2)C3CCN(CC3)C(=O)NS(=O)(=O)c4ccccc4)cc1Cl[END_SMILES][PROPERTY]activity -0.0[/PROPERTY][PROPERTY]Other MS 115.03[/PROPERTY][PROPERTY]Other MS 76.01[/PROPERTY][PROPERTY]Other MS 113.03[/PROPERTY][PROPERTY]Other MS 101.03[/PROPERTY][PROPERTY]Other MS\n", - "GT: 0.27 Gen: 0.19 diff: 0.08 [START_SMILES]Cc1cc(nc(n1)n2ccnc2)N3CCC[C@@H]3C(=O)NCCc4ccc5OCOc5c4[END_SMILES][PROPERTY]activity 0.19[/PROPERTY][PROPERTY]GC-MS m/z Top Peak: 119[/PROPERTY][PROPERTY]GC-MS m/z 0.19[/PROPERTY][PROPERTY]GC-MS m/z 2nd Highest: 121[/PROPERTY][PROPERTY]GC\n", - "GT: -0.94 Gen: -0.66 diff: 0.28 [START_SMILES]CCN(C1CCN(CC[C@H](C2CCN(CC2)S(=O)(=O)C)c3ccccc3)CC1)C(=O)Cc4ccc(cc4)S(=O)(=O)C[END_SMILES][PROPERTY]activity -0.66[/PROPERTY][PROPERTY]Other MS 101.06[/PROPERTY][PROPERTY]Other MS 115.05[/PROPERTY][PROPERTY]\n", - "GT: -1.23 Gen: -0.77 diff: 0.46 [START_SMILES]CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(F)c2)n3ccnc3[END_SMILES][PROPERTY]activity -0.77[/PROPERTY][PROPERTY]GHS Classification0.56[/PROPERTY][PROPERTY]Other MS 115.0392 1[/PROPERTY][PROPERTY]Other MS 56.01[/PROPERTY][PROPERTY]Other MS 113.0392 1[/PROPERTY][PROPERTY]Other\n", - "GT: 1.1 Gen: 0.44 diff: 0.66 [START_SMILES]CC(C)S(=O)(=O)NCC(C)c1ccc(cc1)c2ccc(cc2)C#N[END_SMILES][PROPERTY]activity 0.44[/PROPERTY][PROPERTY]Other MS 196.16[/PROPERTY][PROPERTY]Other MS 164.1777 1[/PROPERTY][PROPERTY]Other MS 164.1877 100[/PROPERTY][PROPERTY]Other MS 164.1777\n", - "GT: 0.64 Gen: 0.93 diff: 0.29 [START_SMILES]COCCC(NC(=O)C1(N)CCN(CC1)c2ncnc3[nH]ccc23)c4ccc(Cl)cc4[END_SMILES][PROPERTY]activity 0.93[/PROPERTY][PROPERTY]Other MS 141.03219[/PROPERTY][PROPERTY]Other MS 142.04499[/PROPERTY][PROPERTY]Other MS 141.04499[/PROPERTY][PROPERTY]Other MS 141.\n", - "GT: 0.4 Gen: 0.84 diff: 0.44 [START_SMILES]CC[C@H](NC(=O)c1c([S+](C)[O-])c(nc2ccccc12)c3ccsc3)c4ccccc4[END_SMILES][PROPERTY]activity 0.84[/PROPERTY][PROPERTY]Other MS 18.03[/PROPERTY][PROPERTY]Other MS 169.02[/PROPERTY][PROPERTY]Other MS 169.02[/PROPERTY][PROPERTY]Other MS 205.06\n", - "GT: 0.53 Gen: 0.69 diff: 0.16 [START_SMILES]Cc1ccc(cc1NC(=O)c2ccc(OCc3ccccn3)cc2)c4c[nH]cn4[END_SMILES][PROPERTY]activity 0.69[/PROPERTY][PROPERTY]Other MS 115.07[/PROPERTY][PROPERTY]Other MS 109.06[/PROPERTY][PROPERTY]Other MS 107.06[/PROPERTY][PROPERTY]Other MS 109.06[/PROPERTY][PROPERTY]Other MS 107.06[/PROPERTY]\n", - "GT: -0.98 Gen: -1.31 diff: 0.33 [START_SMILES]CCN1C(=O)NC(C1=O)c2ccccc2[END_SMILES][PROPERTY]activity -1.31[/PROPERTY][PROPERTY]Other-1.14[/PROPERTY][PROPERTY]Other-1.14[/PROPERTY][PROPERTY]Other MS 101.03[/PROPERTY][PROPERTY]Other MS 119.049 1[/PROPERTY][PROPERTY]Other MS 119.049 1[/PROPERTY][PROPERTY]Other MS 119.049 1[/PROPERTY]\n", - "GT: -0.64 Gen: -0.06 diff: 0.58 [START_SMILES]COc1ccc(NC(=O)CCc2c(C)nc3nc(C)nn3c2C)cc1[END_SMILES][PROPERTY]activity -0.06[/PROPERTY][PROPERTY]Other MS 115.0757 100[/PROPERTY][PROPERTY]Other MS 101.0659 30.03[/PROPERTY][PROPERTY]Other MS 391.2271 1[/PROPERTY][PROPERTY]Other MS 649\n", - "GT: -0.84 Gen: -0.98 diff: 0.14 [START_SMILES]CCO[C@@H]1OC(=O)C[C@@H]1NC(=O)[C@@H]2CCCN3N2C(=O)[C@H](CCC3=O)NC(=O)c4nccc5ccccc45[END_SMILES][PROPERTY]activity -0.98[/PROPERTY][PROPERTY]Other-1.48[/PROPERTY][PROPERTY]Other-1.48[/PROPERTY][PROPERTY]Other-1.48\n", - "GT: -2.99 Gen: -2.56 diff: 0.43 [START_SMILES]Nc1nc(O)c2ncn(COCCO)c2n1[END_SMILES][PROPERTY]activity -2.56[/PROPERTY][PROPERTY]Other-2.56[/PROPERTY][PROPERTY]-2.56[/PROPERTY][PROPERTY]-2.56[/PROPERTY][PROPERTY]Other MS -2.56[/PROPERTY][PROPERTY]Other MS 103.02[/PROPERTY][PROPERTY]Other MS 105.02[/PROPERTY][PROPERTY]Other MS 105.02[/PROPERTY][PROPERTY]Other MS 1\n", - "GT: -0.58 Gen: -0.48 diff: 0.1 [START_SMILES]CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c3ccc(F)cc3[END_SMILES][PROPERTY]activity -0.48[/PROPERTY][PROPERTY]GHS Classification Warning[/PROPERTY][PROPERTY]GHS Classification H302 (100[/PROPERTY][PROPERTY]Other MS 196.1696 10.01[/PROPERTY][PROPERTY]Other MS 184.1701 10.0\n", - "GT: -0.59 Gen: 0.27 diff: 0.86 [START_SMILES]C[C@H](NC(=O)c1cccc2CCN(Cc3ccc(Cl)cc3)c12)c4ccc(cc4)C(=O)O[END_SMILES][PROPERTY]activity 0.27[/PROPERTY][PROPERTY]Other MS 111.03[/PROPERTY][PROPERTY]Other MS 103.02[/PROPERTY][PROPERTY]Other MS 283.1274 1[/PROPERTY][PROPERTY]Other MS 77.\n", - "GT: 1.76 Gen: 1.58 diff: 0.18 [START_SMILES]FC(F)(F)c1ccc(cc1)S(=O)(=O)NCC(N2CCCCCC2)c3ccccc3[END_SMILES][PROPERTY]activity 1.58[/PROPERTY][PROPERTY]GC-MS m/z Top Peak: 123[/PROPERTY][PROPERTY]GC-MS m/z 2nd Highest: 125[/PROPERTY][PROPERTY]GC-MS m/z 3rd Highest: 126[/PROPERTY][NHOHCOUNT]\n", - "GT: -0.3 Gen: -0.06 diff: 0.24 [START_SMILES]Clc1ccc(OC2CCN(CC2)C3CCN(CC3)C(=O)NS(=O)(=O)c4cccc(c4)C#N)cc1Cl[END_SMILES][PROPERTY]activity -0.06[/PROPERTY][PROPERTY]Other MS 184.0732 100[/PROPERTY][PROPERTY]Other MS 115.03[/PROPERTY][PROPERTY]Other MS 71.01[/PROPERTY][PROPERTY]Other\n", - "GT: -1.1 Gen: -0.98 diff: 0.12 [START_SMILES]CS(=O)(=O)Cc1cc(nc(n1)c2ccc(NS(=O)(=O)C)cc2)N3CCOCC3[END_SMILES][PROPERTY]activity -0.98[/PROPERTY][PROPERTY]Other-1.09[/PROPERTY][PROPERTY]Other-0.98[/PROPERTY][PROPERTY]-0.98[/PROPERTY][PROPERTY]-0.98[/PROPERTY][PROPERTY]-0.98[/PROPERTY][PROPERTY]-0.98[/PROPERTY][PROPERTY]-\n", - "GT: 0.69 Gen: 1.18 diff: 0.49 [START_SMILES]CC(C)(NC(=O)c1sccc1Oc2ccc(F)cc2[N+](=O)[O-])C#C[END_SMILES][PROPERTY]activity 1.18[/PROPERTY][PROPERTY]Other MS 184.04[/PROPERTY][PROPERTY]Other MS 186.04[/PROPERTY][PROPERTY]Other MS 168.04[/PROPERTY][PROPERTY]Other MS 170.04[/PROPERTY][PROPERTY]Other MS 168\n", - "GT: 0.65 Gen: 0.85 diff: 0.2 [START_SMILES]Cc1cc(NC(=O)Nc2ccc(Cl)cc2)n(C)n1[END_SMILES][PROPERTY]activity 0.85[/PROPERTY][PROPERTY]Other MS 101[/PROPERTY][PROPERTY]Other MS 102[/PROPERTY][PROPERTY]Other MS 103[/PROPERTY][PROPERTY]Other MS 104 1[/PROPERTY][PROPERTY]Other MS 101 1[/PROPERTY][PROPERTY]Other MS 102 1[/PROPERTY][PROPERTY]Other MS 103 1[/PROPERTY][PROPERTY]\n", - "GT: 0.84 Gen: 0.86 diff: 0.02 [START_SMILES]COc1cc(Nc2cc(Oc3cccnc3C)ccn2)cc(OC)c1OC[END_SMILES][PROPERTY]activity 0.86[/PROPERTY][PROPERTY]Other MS 181.1391 100[/PROPERTY][PROPERTY]Other MS 181.1391 2[/PROPERTY][PROPERTY]Other MS 181.1391 2[/PROPERTY][PROPERTY]Other MS 181.1391 100\n", - "GT: 0.56 Gen: -0.06 diff: 0.62 [START_SMILES]CN(C1CCN(Cc2nc3cc(F)ccc3s2)CC1)C(=O)Cc4ccc(cc4)n5cnnn5[END_SMILES][PROPERTY]activity -0.06[/PROPERTY][PROPERTY]Other MS 172.1697 100[/PROPERTY][PROPERTY]Other MS 184.1797 100[/PROPERTY][PROPERTY]Other MS 162.1697\n", - "GT: 1.68 Gen: 1.43 diff: 0.25 [START_SMILES]CC(C(=O)Nc1ccc(Cl)cc1)c2ncc(cc2Cl)C(F)(F)F[END_SMILES][PROPERTY]activity 1.43[/PROPERTY][PROPERTY]Other MS 186.02[/PROPERTY][PROPERTY]Other MS 168.02[/PROPERTY][PROPERTY]Other MS 208.04[/PROPERTY][PROPERTY]Other MS 216.04[/PROPERTY][PROPERTY]Other MS 208.04[/PROPERTY][PROPERTY]Other\n", - "GT: -1.24 Gen: -1.5 diff: 0.26 [START_SMILES]CS(=O)(=O)c1ccc(cc1)c2cc(C(=O)N[C@H]3CCCNC3)c(NC(=O)N)s2[END_SMILES][PROPERTY]activity -1.5[/PROPERTY][PROPERTY]Other MS -1.5[/PROPERTY][PROPERTY]Other MS 100[/PROPERTY][PROPERTY]-1.5[/PROPERTY][PROPERTY]Other MS 100[/PROPERTY][PROPERTY]-1.5[/PROPERTY][PROPERTY]Other MS 1\n", - "GT: 0.75 Gen: 0.85 diff: 0.1 [START_SMILES]COc1cccc(c1)C(=O)Nc2ccc(C)c(c2)N3C=Nc4ccc(cc4C3=O)N5CCN(C)CC5[END_SMILES][PROPERTY]activity 0.85[/PROPERTY][PROPERTY]Other MS 111.07[/PROPERTY][PROPERTY]Other MS 113.065 100[/PROPERTY][PROPERTY]Other MS 112.065 10.\n", - "GT: -1.29 Gen: -1.0 diff: 0.29 [START_SMILES]OCC[C@]1(CCCNC1)c2ccc(Cl)c(Cl)c2[END_SMILES][PROPERTY]activity -1.0[/PROPERTY][PROPERTY]Other-1.0[/PROPERTY][PROPERTY]Other-1.0[/PROPERTY][PROPERTY]Other MS 154.0431 0.01[/PROPERTY][PROPERTY]Other MS 109.0447 0.01[/PROPERTY][PROPERTY]Other MS 109.0447 0.\n", - "GT: 1.5 Gen: 0.1 diff: 1.4 [START_SMILES]Nc1nc2ccc(Cl)cc2c3nc(nn13)c4occc4[END_SMILES][PROPERTY]activity 0.1[/PROPERTY][PROPERTY]Other MS 144.027 1.17[/PROPERTY][PROPERTY]Other MS 122.044 1.17[/PROPERTY][PROPERTY]Other MS 142.044 1.17[/PROPERTY][PROPERTY]Other MS 122.044 1.17[/PROPERTY]\n", - "GT: 1.18 Gen: 0.93 diff: 0.25 [START_SMILES]COc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(C)c3)c2cc1OC[END_SMILES][PROPERTY]activity 0.93[/PROPERTY][PROPERTY]Other MS 181.1598 1[/PROPERTY][PROPERTY]Other MS 183.1598 1[/PROPERTY][PROPERTY]Other MS 183.1598 1[/PROPERTY][PROPERTY]Other MS 183.1598 1\n", - "GT: 0.52 Gen: 0.69 diff: 0.17 [START_SMILES]COCCNc1nc(nc(NCC(C)C)c1N)C#N[END_SMILES][PROPERTY]activity 0.69[/PROPERTY][PROPERTY]GC-MS m/z Top Peak[/PROPERTY][/PROPERTY][PROPERTY]GC-MS m/z 0.69[/PROPERTY][PROPERTY]GC-MS m/z 0.69[/PROPERTY][PROPERTY]GC-MS m/z 0.69[/PROPERTY][PROPERTY]GC-MS m/z 0.69[/PROPERTY][PROPERTY]GC-MS m\n", - "GT: 1.13 Gen: 0.44 diff: 0.69 [START_SMILES]Nc1c(NC2CC3CCC2C3)nc(nc1N4CCOCC4)C#N[END_SMILES][PROPERTY]activity 0.44[/PROPERTY][PROPERTY]Other MS 105.10[/PROPERTY][PROPERTY]Other MS 107.11[/PROPERTY][PROPERTY]Other MS 109.12[/PROPERTY][PROPERTY]Other MS 109.11[/PROPERTY][PROPERTY]Other MS 109.12[/PROPERTY][PROPERTY]Other MS 109.\n", - "GT: 1.1 Gen: 0.74 diff: 0.36 [START_SMILES]COc1ccc(cc1)C2=COc3cc(O)cc(O)c3C2=O[END_SMILES][PROPERTY]activity 0.74[/PROPERTY][PROPERTY]LC-MS 191.04944[/PROPERTY][PROPERTY]LC-MS 192.04944[/PROPERTY][PROPERTY]Other MS 193.04944[/PROPERTY][PROPERTY]Other MS 191.04944[/PROPERTY][PROPERTY]Other MS \n", - "GT: 0.79 Gen: 0.0 diff: 0.79 [START_SMILES]CN(C)S(=O)(=O)c1ccc2C(=CNC(=O)c2c1)C(=O)NC[C@@H](O)CN3CCC(CC3)Oc4ccc(Cl)c(Cl)c4[END_SMILES][PROPERTY]activity 0.0[/PROPERTY][PROPERTY]Other MS 115.07[/PROPERTY][PROPERTY]Other MS 113.0602 100\n", - "GT: 0.41 Gen: -0.28 diff: 0.69 [START_SMILES]COC(=O)CCC(=O)Nc1ccc2c(c1)C(=O)C(=O)c3cc(NC(=O)CCC(=O)OC)ccc23[END_SMILES][PROPERTY]activity -0.28[/PROPERTY][PROPERTY]GC-MS m/z Top Peak: 115[/PROPERTY][PROPERTY]GC-MS m/z 0.28[/PROPERTY][PROPERTY]GC-MS m/z 0.28\n", - "GT: 0.58 Gen: 0.19 diff: 0.39 [START_SMILES]CC(C)C(NC(=O)CN1C(=O)C(=CN=C1C2CCCCC2)NC(=O)OCc3ccccc3)C(=O)C(F)(F)F[END_SMILES][PROPERTY]activity 0.19[/PROPERTY][PROPERTY]Other MS 115.07[/PROPERTY][PROPERTY]Other MS 116.06[/PROPERTY][PROPERTY]Other MS 108.05[/PROPERTY][PROPERTY]\n", - "GT: 1.03 Gen: 0.86 diff: 0.17 [START_SMILES]COc1cc(Nc2nccc(Oc3cnc4ccccc4c3)n2)cc(OC)c1OC[END_SMILES][PROPERTY]activity 0.86[/PROPERTY][PROPERTY]Other MS 191.1481 100[/PROPERTY][PROPERTY]Other MS 181.1481 20.02[/PROPERTY][PROPERTY]Other MS 209.1992 2[/PROPERTY][PROPERTY]Other MS 289.\n", - "GT: -0.15 Gen: -0.89 diff: 0.74 [START_SMILES]O=C(OCCN1CCCCC1)c2c[nH]c3ccccc23[END_SMILES][PROPERTY]activity -0.89[/PROPERTY][PROPERTY]Other-0.89[/PROPERTY][PROPERTY]Other-0.89[/PROPERTY][PROPERTY]Other-0.89[/PROPERTY][PROPERTY]Other MS -0.89[/PROPERTY][PROPERTY]Other MS -0.89[/PROPERTY][PROPERTY]Other MS -0.89[/PROPERTY][PROPERTY]Other MS 0.89[/PROPERTY][PROPERTY]\n", - "GT: 1.27 Gen: 0.85 diff: 0.42 [START_SMILES]CN(c1ccnc(Nc2cc(OC3CCOCC3)cc(c2)N4CCOCC4)n1)c5cc(CO)ccc5C[END_SMILES][PROPERTY]activity 0.85[/PROPERTY][NUMSATURATEDHETEROCYCLES]2[/NUMSATURATEDHETEROCYCLES][NUMROTATABLEBONDS]7[/NUMROTATABLEBONDS][TPSA]104.34[/TPSA][NUMHETEROATOMS]10[/NUMHETEROATOMS][IUPAC][3-methyl-4-[methyl-[2-[[5-(oxan-4-yloxy)-7-\n", - "GT: -1.41 Gen: -0.89 diff: 0.52 [START_SMILES]CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1[END_SMILES][PROPERTY]activity -0.89[/PROPERTY][PROPERTY]Other MS -0.89[/PROPERTY][PROPERTY]Other MS -0.89[/PROPERTY][PROPERTY]Other MS -0.89[/PROPERTY][PROPERTY]Other MS 101.03[/PROPERTY][PROPERTY]Other MS 102.03[/PROPERTY][PROPERTY]Other MS\n", - "GT: 0.27 Gen: 0.52 diff: 0.25 [START_SMILES]CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4ncoc34)n2)c1[END_SMILES][PROPERTY]activity 0.52[/PROPERTY][PROPERTY]Other MS 191.1481 1[/PROPERTY][PROPERTY]Other MS 191.1481 1[/PROPERTY][PROPERTY]Other MS 191.1481 1[/PROPERTY][PROPERTY]Other MS 191.1481 \n", - "GT: 0.44 Gen: 0.54 diff: 0.1 [START_SMILES]CCN1C(=O)C=Cc2cnc(Nc3ccc(OC)c(OC)c3)nc12[END_SMILES][PROPERTY]activity 0.54[/PROPERTY][PROPERTY]Other MS 181.13[/PROPERTY][PROPERTY]Other MS 183.15[/PROPERTY][PROPERTY]Other MS 184.16[/PROPERTY][PROPERTY]Other MS 182.16[/PROPERTY][PROPERTY]Other MS 182.16[/PROPERTY][PROPERTY]Other MS\n", - "GT: -0.52 Gen: -0.89 diff: 0.37 [START_SMILES]COc1ccc(cc1)c2nc3c(OCC4CCNCC4)c(Br)cnc3[nH]2[END_SMILES][PROPERTY]activity -0.89[/PROPERTY][PROPERTY]GHS Classification-0.89[/PROPERTY][PROPERTY]GHS Classification-0.89[/PROPERTY][PROPERTY]GHS Classification-0.89[/PROPERTY][PROPERTY]GHS Classification-0.89[/PROPERTY][PROPERTY]Other MS 171.0551 1[/PROPERTY]\n", - "GT: -0.65 Gen: -0.48 diff: 0.17 [START_SMILES]COc1ccc(CN(CCN(C)C)c2ccccn2)cc1[END_SMILES][PROPERTY]activity -0.48[/PROPERTY][PROPERTY]Other MS 101.07[/PROPERTY][PROPERTY]Other MS 103.06[/PROPERTY][PROPERTY]Other MS 105.06[/PROPERTY][PROPERTY]Other MS 107.06[/PROPERTY][PROPERTY]Other MS 109.05[/PROPERTY][PROPERTY]Other MS 109.06[/PROPERTY][NUMROTATABLEBONDS]\n", - "GT: 1.56 Gen: 1.35 diff: 0.21 [START_SMILES]Cc1ccc(s1)C(NC(=O)c2ccccc2O)C(=O)Nc3c(C)cccc3C[END_SMILES][PROPERTY]activity 1.35[/PROPERTY][PROPERTY]Other MS 177.0551 1.35[/PROPERTY][PROPERTY]Other MS 179.0551 1.35[/PROPERTY][PROPERTY]Other MS 179.0551 1.35[/PROPERTY]\n", - "GT: -2.87 Gen: -1.79 diff: 1.08 [START_SMILES]OC(=O)CCC(=O)N1CCC(CC1)c2onc(n2)c3cccs3[END_SMILES][PROPERTY]activity -1.79[/PROPERTY][PROPERTY]Other-1.79[/PROPERTY][PROPERTY]-1.79[/PROPERTY][PROPERTY]-1.79[/PROPERTY][PROPERTY]-1.79[/PROPERTY][PROPERTY]-1.79[/PROPERTY][PROPERTY]-1.79[/PROPERTY][PROPERTY]-1.79[/PROPERTY][PROPERTY]-1.79[/PROPERTY][PROPERTY]-1\n", - "GT: 1.18 Gen: 1.27 diff: 0.09 [START_SMILES]COc1ccc(Oc2ncccc2C(=O)NCc3ccccc3Cl)cc1[END_SMILES][PROPERTY]activity 1.27[/PROPERTY][PROPERTY]GC-MS m/z Top Peak: 115[/PROPERTY][PROPERTY]GC-MS m/z 2[/PROPERTY][PROPERTY]GC-MS m/z 3rd Highest: 116[/PROPERTY][NOCOUNT]5[/NOCOUNT][NUMSATURATEDHETEROCYCLES]0[/NUMSATURATEDHETEROCYCLES][SYNONYM]N-(2-chlorobenzyl)-2-(4-\n", - "GT: 1.3 Gen: 1.23 diff: 0.07 [START_SMILES]COc1ccccc1CN2C(C(=O)NC3CCC(C)CC3)c4ccccc4C2=O[END_SMILES][PROPERTY]activity 1.23[/PROPERTY][PROPERTY]GC-MS m/z Top Peak: 115[/PROPERTY][PROPERTY]GC-MS m/z 2nd Highest: 120[/PROPERTY][PROPERTY]GC-MS m/z 3rd Highest: 121[/PROPERTY][NHOHCOUNT]1[/NHOHCOUNT][QED]0.\n", - "GT: 1.1 Gen: 0.89 diff: 0.21 [START_SMILES]CCc1ccccc1c2ccc(cc2)c3nc4ccncc4c(O)c3C#N[END_SMILES][PROPERTY]activity 0.89[/PROPERTY][PROPERTY]Other MS 191.038 2.38[/PROPERTY][PROPERTY]Other MS 192.037 2.38[/PROPERTY][PROPERTY]Other MS 190.037 1.38[/PROPERTY][PROPERTY]Other MS 191.0\n", - "GT: 0.64 Gen: 0.44 diff: 0.2 [START_SMILES]Cn1cnc(c2ccccc2)c1c3cc4c(N)ncnc4s3[END_SMILES][PROPERTY]activity 0.44[/PROPERTY][PROPERTY]Other MS 181.0431[/PROPERTY][PROPERTY]Other MS 182.0441[/PROPERTY][PROPERTY]Other MS 180.0441[/PROPERTY][PROPERTY]Other MS 182.0441[/PROPERTY][PROPERTY]Other MS 182.0441\n", - "GT: -0.07 Gen: 0.54 diff: 0.61 [START_SMILES]COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c3cccnc13[END_SMILES][PROPERTY]activity 0.54[/PROPERTY][PROPERTY]Other MS 191.0377 0.54[/PROPERTY][PROPERTY]Other MS 192.0377 0.54[/PROPERTY][PROPERTY]Other MS 190.0377 0.54[/PROPERTY][PROPERTY]Other MS 190.0\n", - "GT: -1.74 Gen: -1.31 diff: 0.43 [START_SMILES]OC(=O)[C@H](Cc1ccc(cc1)N2CCN(CC2)c3ccccc3)NC(=O)c4c(Cl)cccc4Cl[END_SMILES][PROPERTY]activity -1.31[/PROPERTY][PROPERTY]Other-1.31[/PROPERTY][PROPERTY]Other MS 111.03[/PROPERTY][PROPERTY]Other MS 43.0277 1[/PROPERTY][PROPERTY]Other MS 111.0\n", - "GT: -0.84 Gen: 0.19 diff: 1.03 [START_SMILES]NC(=N)c1cc2c(OCc3ccccc3)cccc2s1[END_SMILES][PROPERTY]activity 0.19[/PROPERTY][PROPERTY]Other MS 171.02[/PROPERTY][PROPERTY]Other MS 172.0337 100[/PROPERTY][PROPERTY]Other MS 190.0337 1[/PROPERTY][PROPERTY]Other MS 173.02[/PROPERTY][PROPERTY]Other MS 171.02[/PROPERTY][PROPERTY]Other MS\n", - "GT: 0.19 Gen: 0.44 diff: 0.25 [START_SMILES]CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3ccc4c(N)ncnc34[END_SMILES][PROPERTY]activity 0.44[/PROPERTY][PROPERTY]LC-MS 119.08[/PROPERTY][PROPERTY]LC-0.44\n", - "GT: 1.59 Gen: 1.6 diff: 0.01 [START_SMILES]CCN(CC)CCOc1ccc(cc1)\\C(=C(\\Cl)/c2ccccc2)\\c3ccccc3[END_SMILES][PROPERTY]activity 1.6[/PROPERTY][PROPERTY]GHS Classification Warning[/PROPERTY][PROPERTY]GHS Classification H315 (100[/PROPERTY][PROPERTY]Other MS 307.19[/PROPERTY][PROPERTY]Other MS 191.19[/PROPERTY][PROPERTY]Other MS 173.1118 \n", - "GT: -0.17 Gen: -0.35 diff: 0.18 [START_SMILES]CCC(C)(CC)C[C@@H](N1CCC[C@@H](C1)N2C=C(C)C(=O)NC2=O)c3ccc(C(=O)O)c(Oc4cccc(Br)c4)c3[END_SMILES][PROPERTY]activity -0.35[/PROPERTY][PROPERTY]Other MS 11.02[/PROPERTY][PROPERTY]Other MS 292.906\n", - "GT: 0.93 Gen: 0.83 diff: 0.1 [START_SMILES]CC(C)n1c(C)ncc1c2nc(Nc3ccc(cc3)N4CC[C@H](C4)NC(=O)C)ncc2F[END_SMILES][PROPERTY]activity 0.83[/PROPERTY][PROPERTY]Other MS 111.0757 1[/PROPERTY][PROPERTY]Other MS 111.0757 1[/PROPERTY][PROPERTY]Other MS 111.0757 \n", - "GT: 0.19 Gen: 0.85 diff: 0.66 [START_SMILES]Fc1ccccc1Nc2oc(nn2)C(=O)Nc3ccc(cn3)N4CCOCC4[END_SMILES][PROPERTY]activity 0.85[/PROPERTY][PROPERTY]MS-0.85[/PROPERTY][PROPERTY]MS-0.86[/PROPERTY][PROPERTY]MS-0.86[/PROPERTY][PROPERTY]MS-0.86[/PROPERTY][PROPERTY]MS-0.86[/PROPERTY][PROPERTY]MS-0.86[/PROPERTY][PROPERTY]MS-0.86[/PROPERTY][PROPERTY]MS-0\n", - "GT: -0.05 Gen: 0.44 diff: 0.49 [START_SMILES]Nc1nc(nc(N)c1Cc2ccccc2F)c3ccccn3[END_SMILES][PROPERTY]activity 0.44[/PROPERTY][PROPERTY]Other MS 183.13[/PROPERTY][PROPERTY]Other MS 165.1279 1[/PROPERTY][PROPERTY]Other MS 166.1279 100[/PROPERTY][PROPERTY]Other MS 183.13[/PROPERTY][PROPERTY]Other MS 165.1279 \n" + "huggingface/tokenizers: The current process just got forked, after parallelism has already been used. Disabling parallelism to avoid deadlocks...\n", + "To disable this warning, you can either:\n", + "\t- Avoid using `tokenizers` before the fork if possible\n", + "\t- Explicitly set the environment variable TOKENIZERS_PARALLELISM=(true | false)\n" ] - }, + } + ], + "source": [ + "path = \"/nfs/dgx/raid/chem/checkpoints/google/gemma-2b/02792a595f0d4a938f9512bd\"\n", + "!ls \"/nfs/dgx/raid/chem/checkpoints/google/gemma-2b/02792a595f0d4a938f9512bd\"\n" + ] + }, + { + "cell_type": "code", + "execution_count": 80, + "metadata": {}, + "outputs": [ { "name": "stderr", "output_type": "stream", "text": [ - "/auto/home/menuab/miniforge3/envs/cl11.8_t_4.37/lib/python3.10/site-packages/transformers/generation/utils.py:1136: UserWarning: Input length of input_ids is 104, but `max_length` is set to 100. This can lead to unexpected behavior. You should consider increasing `max_new_tokens`.\n", - " warnings.warn(\n" - ] - }, - { - "name": "stdout", - "output_type": "stream", - "text": [ - "GT: -2.36 Gen: -1.48 diff: 0.88 [START_SMILES]CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(CO)c3ccccc3[END_SMILES][PROPERTY]activity -1.48[/PROPERTY][PROPERTY]GC-MS m/z Top Peak: -1.2[/PROPERTY][PROPERTY]GC-MS m/z -1.2[/PROPERTY][PROPERTY]GC-MS m/z -1.2[/PROPERTY][PROPERTY]GC-MS m/z \n", - "GT: 0.02 Gen: -0.35 diff: 0.37 [START_SMILES]CN(C)CC(C)(C)COc1nccc(Nc2cc(NC(=O)c3ccnc(c3)N4CCOCC4)ccc2C)n1[END_SMILES][PROPERTY]activity -0.35[/PROPERTY][PROPERTY]Other MS 115.07[/PROPERTY][PROPERTY]Other MS 113.065 100[/PROPERTY][PROPERTY]Other MS 97.06[/PROPERTY][PROPERTY]Other MS 9\n", - "GT: 0.87 Gen: 0.44 diff: 0.43 [START_SMILES]CCOC(=O)c1ccc(OCCC2CN(C2)c3ccc(C)nn3)cc1[END_SMILES][PROPERTY]activity 0.44[/PROPERTY][PROPERTY]Other MS 101.06[/PROPERTY][PROPERTY]Other MS 103.06[/PROPERTY][PROPERTY]Other MS 115.064 1[/PROPERTY][PROPERTY]Other MS 101.064 1[/PROPERTY][PROPERTY]Other MS 103.064\n", - "GT: 0.24 Gen: 0.26 diff: 0.02 [START_SMILES]Cc1ccc(cc1NC(=O)c2ccc(OCc3ccccn3)cc2)c4ccc(N)nn4[END_SMILES][PROPERTY]activity 0.26[/PROPERTY][PROPERTY]Other MS 181.1384 100[/PROPERTY][PROPERTY]Other MS 181.1384 30.03[/PROPERTY][PROPERTY]Other MS 76.06511 5.01[/PROPERTY][PROPERTY]Other\n", - "GT: -0.65 Gen: -0.89 diff: 0.24 [START_SMILES]CCCSc1c(cnn1[C@@H]2CC[C@@H](CC2)C(=O)O)C(=O)NC3CCCCC3[END_SMILES][PROPERTY]activity -0.89[/PROPERTY][PROPERTY]Other-0.89[/PROPERTY][PROPERTY]Other-0.89[/PROPERTY][PROPERTY]Other MS 157.03219 5.01[/PROPERTY][PROPERTY]Other MS 407.1976\n", - "GT: 0.13 Gen: -0.89 diff: 1.02 [START_SMILES]Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl[END_SMILES][PROPERTY]activity -0.89[/PROPERTY][PROPERTY]Other-0.89[/PROPERTY][PROPERTY]Other MS 180.97[/PROPERTY][PROPERTY]Other MS 181.03[/PROPERTY][PROPERTY]Other MS 119.02[/PROPERTY][PROPERTY]Other MS 101.02[/PROPERTY][PROPERTY]Other MS 181.03[/PROPERTY][PROPERTY]Other\n", - "GT: -1.71 Gen: -1.98 diff: 0.27 [START_SMILES]O[C@@H](CNCCSCCCNCCc1ccccc1)c2ccc(O)c3NC(=O)Sc23[END_SMILES][PROPERTY]activity -1.98[/PROPERTY][PROPERTY]Other-1.98[/PROPERTY][PROPERTY]Other-1.98[/PROPERTY][PROPERTY]Other-1.98[/PROPERTY][PROPERTY]Other-1.98[/PROPERTY][PROPERTY]Other-1.98[/PROPERTY][PROPERTY]Other MS 113.02[/PROPERTY][PROPERTY]Other MS\n", - "GT: 0.02 Gen: -0.73 diff: 0.75 [START_SMILES]COc1ccc(cn1)C2=Cc3c(C)nc(N)nc3N([C@@H]4CC[C@H](CC4)OCCO)C2=O[END_SMILES][PROPERTY]activity -0.73[/PROPERTY][PROPERTY]Other-0.73[/PROPERTY][PROPERTY]Other MS 101.05[/PROPERTY][PROPERTY]Other MS 103.05[/PROPERTY][PROPERTY]Other MS 105.0\n", - "GT: 1.06 Gen: 0.44 diff: 0.62 [START_SMILES]Clc1ccc2N(C3CCN(CCCN4C(=O)Nc5ccccc45)CC3)C(=O)Nc2c1[END_SMILES][PROPERTY]activity 0.44[/PROPERTY][PROPERTY]Other MS 115.07[/PROPERTY][PROPERTY]Other MS 113.06[/PROPERTY][PROPERTY]Other MS 114.05[/PROPERTY][PROPERTY]Other MS 116.06[/PROPERTY][PROPERTY]Other MS 114\n", - "GT: 0.15 Gen: 0.6 diff: 0.45 [START_SMILES]COc1cc(CNc2nc3ccccc3[nH]2)cc(OC)c1OC[END_SMILES][PROPERTY]activity 0.6[/PROPERTY][PROPERTY]Other MS 191.1481 1[/PROPERTY][PROPERTY]Other MS 192.1481 1[/PROPERTY][PROPERTY]Other MS 191.1481 1[/PROPERTY][PROPERTY]Other MS 191.1481 1[/PROPERTY][PROPERTY]Other MS 1\n", - "GT: 0.52 Gen: -0.06 diff: 0.58 [START_SMILES]CC(C)C1NCCc2c1sc3ccccc23[END_SMILES][PROPERTY]activity -0.06[/PROPERTY][PROPERTY]Other MS 148.0762 100[/PROPERTY][PROPERTY]Other MS 126.0673 100[/PROPERTY][PROPERTY]Other MS 146.0679 100[/PROPERTY][PROPERTY]Other MS 114.0575 100[/PROPERTY][PROPERTY]Other MS\n", - "GT: 0.59 Gen: -0.4 diff: 0.99 [START_SMILES]CC(C)[C@H](N(CCCN)C(=O)c1ccc(C)cc1)C2=Nc3cc(Cl)ccc3C(=O)N2Cc4ccccc4[END_SMILES][PROPERTY]activity -0.4[/PROPERTY][PROPERTY]GHS Classification Danger[/PROPERTY][PROPERTY]GHS Classification H301 (100[/PROPERTY][PROPERTY]Other329.2479 100[/PROPERTY][PROPERTY]\n", - "GT: 1.72 Gen: 1.61 diff: 0.11 [START_SMILES]CSCCC(NC(=O)c1ccccc1)c2nc3ccccc3n2Cc4ccc(cc4)C#N[END_SMILES][PROPERTY]activity 1.61[/PROPERTY][PROPERTY]GC-MS m/z Top Peak: 113[/PROPERTY][PROPERTY]GC-MS m/z 2nd Highest: 114[/PROPERTY][PROPERTY]GC-MS m/z 3rd Highest: 115[/PROPERTY][NHOHCOUNT]1[/NHOHCOUNT][NOCOUNT]\n", - "GT: 1.33 Gen: 1.1 diff: 0.23 [START_SMILES]CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(N(C)C)c2ccccc2[END_SMILES][PROPERTY]activity 1.1[/PROPERTY][PROPERTY]Other MS 117.0759 100[/PROPERTY][PROPERTY]Other MS 115.0799 60.06[/PROPERTY][PROPERTY]Other MS 393.2568 50.05\n", - "GT: 0.69 Gen: 0.44 diff: 0.25 [START_SMILES]Cc1ccc(C[C@H](N2CCC(CN3CCC(CC3)Oc4ccc(Cl)c(Cl)c4)CC2)C(=O)O)cc1[END_SMILES][PROPERTY]activity 0.44[/PROPERTY][PROPERTY]Other MS 1[/PROPERTY][PROPERTY]Other MS 115.07[/PROPERTY][PROPERTY]Other MS 105.07[/PROPERTY][PROPERTY]Other MS 253.09[/PROPERTY][PROPERTY]Other MS\n", - "GT: -0.48 Gen: -0.05 diff: 0.43 [START_SMILES]Cc1c(O[C@H]2C[C@H]3CC[C@@H](C2)N3Cc4ccccc4)cccc1C(=O)N[END_SMILES][PROPERTY]activity -0.05[/PROPERTY][PROPERTY]Other MS 105.03[/PROPERTY][PROPERTY]Other MS 103.03[/PROPERTY][PROPERTY]Other MS 101.03[/PROPERTY][PROPERTY]Other MS 69.029\n", - "GT: 1.27 Gen: 1.35 diff: 0.08 [START_SMILES]Oc1cccc(c1)c2nc3ccc(O)cc3s2[END_SMILES][PROPERTY]activity 1.35[/PROPERTY][PROPERTY]Other MS 177.0276 1.35[/PROPERTY][PROPERTY]Other MS 151.0376 1.35[/PROPERTY][PROPERTY]Other MS 141.0216 1.35[/PROPERTY][PROPERTY]Other MS 141.0216 1.35\n", - "GT: -0.81 Gen: -0.56 diff: 0.25 [START_SMILES]CN(C)CC(O)COc1ccc(Nc2nccc(Nc3ccccc3C#N)n2)cc1[END_SMILES][PROPERTY]activity -0.56[/PROPERTY][PROPERTY]Other MS 157.1228 100[/PROPERTY][PROPERTY]Other MS 107.02[/PROPERTY][PROPERTY]Other MS 60.02[/PROPERTY][PROPERTY]Other MS 105.01[/PROPERTY][PROPERTY]Other MS 53.0\n", - "GT: -0.59 Gen: 0.27 diff: 0.86 [START_SMILES]CN(C)CCOC(c1ccccc1)c2ccccc2C[END_SMILES][PROPERTY]activity 0.27[/PROPERTY][PROPERTY]Other MS 103.07[/PROPERTY][PROPERTY]Other MS 115.065 1[/PROPERTY][PROPERTY]Other MS 117.065 1[/PROPERTY][PROPERTY]Other MS 119.0571 1[/PROPERTY][PROPERTY]Other MS 119.0571 1[/PROPERTY][PROPERTY]Other\n", - "GT: 1.35 Gen: 0.44 diff: 0.91 [START_SMILES]CN1C(=O)C=C(CCc2cccc(c2)c3ccccc3)N=C1N[END_SMILES][PROPERTY]activity 0.44[/PROPERTY][PROPERTY]Other MS 180.1743 100[/PROPERTY][PROPERTY]Other MS 164.1743 30.33[/PROPERTY][PROPERTY]Other MS 198.1648 20.92[/PROPERTY][PROPERTY]Other MS 2\n", - "GT: -0.71 Gen: -0.7 diff: 0.01 [START_SMILES]NC(=O)Nc1cc(sc1C(=O)N[C@H]2CCCNC2)c3cccc(F)c3F[END_SMILES][PROPERTY]activity -0.7[/PROPERTY][PROPERTY]Other MS 101.03[/PROPERTY][PROPERTY]Other MS 102.03[/PROPERTY][PROPERTY]Other MS 64.0232 100[/PROPERTY][PROPERTY]Other MS 62.0232 50.\n", - "GT: 1.03 Gen: 1.27 diff: 0.24 [START_SMILES]Oc1oc(c2ccccc2)c(n1)c3ccccc3[END_SMILES][PROPERTY]activity 1.27[/PROPERTY][PROPERTY]Other MS 147.0441 1.27[/PROPERTY][PROPERTY]Other MS 147.0441 1.27[/PROPERTY][PROPERTY]Other MS 147.0441 1.27[/PROPERTY][PROPERTY]Other MS 147.0441 1.2\n", - "GT: -1.76 Gen: -1.93 diff: 0.17 [START_SMILES]OCC[C@]1(CCCNC1)c2oc3ccccc3c2[END_SMILES][PROPERTY]activity -1.93[/PROPERTY][PROPERTY]Chemical Classes Biological Agents -1.3[/PROPERTY][PROPERTY]GHS Classification Danger[/PROPERTY][PROPERTY]GHS Classification H301 -1.31[/PROPERTY][PROPERTY]GHS Classification H311 -1.31[/PROPERTY][PROPERTY]GHS Classification H312 -1.31[/PROPERTY][PROPERTY]GHS Classification\n", - "GT: 0.6 Gen: 0.02 diff: 0.58 [START_SMILES]Nc1ccc2c3ccccc3C(=O)c2c1[END_SMILES][PROPERTY]activity 0.02[/PROPERTY][PROPERTY]Other MS 101.06[/PROPERTY][PROPERTY]Other MS 63.01[/PROPERTY][PROPERTY]Other MS 65.01[/PROPERTY][PROPERTY]Other MS 64.01[/PROPERTY][PROPERTY]Other MS 62.01[/PROPERTY][PROPERTY]Other MS 65.01[/PROPERTY][PROPERTY]Other MS 65.01[/PROPERTY][PROPERTY]\n", - "GT: 1.68 Gen: 1.63 diff: 0.05 [START_SMILES]Cc1ccc2NC(=O)OC3(CCN(CCc4nc(oc4C)c5ccccc5)CC3)c2c1[END_SMILES][PROPERTY]activity 1.63[/PROPERTY][PROPERTY]Other MS 115.07[/PROPERTY][PROPERTY]Other MS 113.06[/PROPERTY][PROPERTY]Other MS 114.06[/PROPERTY][PROPERTY]Other MS 107.06[/PROPERTY][PROPERTY]Other MS 106.\n" + "Loading checkpoint shards: 0%| | 0/2 [00:00[START_SMILES]Cc1ccccc1NC(=O)CCS(=O)(=O)c2ccc(Br)s2[END_SMILES][PROPERTY]activity 0.77[/PROPERTY]\n", + "GT: -0.81 Gen: -0.89 diff: 0.08 [START_SMILES]COCCNC(=O)c1cccc(CN2NC(=O)C3=C(C2=O)C(=O)c4ccc(Cl)cc4N3)c1[END_SMILES][PROPERTY]activity -0.89[/PROPERTY]\n", + "GT: 0.48 Gen: 0.69 diff: 0.21 [START_SMILES]OC(=O)c1[nH]c2ccccc2c1CCCOc3cccc4ccccc34[END_SMILES][PROPERTY]activity 0.69[/PROPERTY]\n", + "GT: 1.43 Gen: 0.85 diff: 0.58 [START_SMILES]COc1ccc2nc(C)cc(OCC(=O)Nc3ccccc3OC)c2c1[END_SMILES][PROPERTY]activity 0.85[/PROPERTY]\n", + "GT: -1.57 Gen: -1.36 diff: 0.21 [START_SMILES]CCS(=O)(=O)c1ccc(Oc2c(C)n(CC(=O)O)c3ccc(cc23)C(F)(F)F)cc1[END_SMILES][PROPERTY]activity -1.36[/PROPERTY]\n", + "GT: -0.05 Gen: -0.0 diff: 0.05 [START_SMILES]CN1CCN(CC1)c2ccc3N=CN(C(=O)c3c2)c4cc(NC(=O)c5cncs5)ccc4C[END_SMILES][PROPERTY]activity -0.0[/PROPERTY]\n", + "GT: 0.35 Gen: 0.19 diff: 0.16 [START_SMILES]CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C)C=O[END_SMILES][PROPERTY]activity 0.19[/PROPERTY]\n", + "GT: 0.93 Gen: 0.45 diff: 0.48 [START_SMILES]CC1=CC2=NNC(=O)N2c3cc(ccc13)c4ccc[nH]4[END_SMILES][PROPERTY]activity 0.45[/PROPERTY]\n", + "GT: -0.39 Gen: -0.36 diff: 0.03 [START_SMILES]OC1(C(=O)Nc2ccccc12)c3ccccc3[END_SMILES][PROPERTY]activity -0.36[/PROPERTY]\n", + "GT: 1.1 Gen: 1.1 diff: 0.0 [START_SMILES]COc1cc2ncnc(NCc3cccc(C)c3)c2cc1OC[END_SMILES][PROPERTY]activity 1.1[/PROPERTY]\n", + "GT: 1.13 Gen: 1.79 diff: 0.66 [START_SMILES]Cn1cncc1c2c3C(=O)N(C4CC4)C(=O)N(CC5CC5)c3nn2Cc6ccnc7ccc(Cl)cc67[END_SMILES][PROPERTY]activity 1.79[/PROPERTY]\n", + "GT: -0.06 Gen: -0.25 diff: 0.19 [START_SMILES]CCc1c(C(=O)C(=O)N)c2c(OCC(=O)N)cccc2n1Cc3ccccc3[END_SMILES][PROPERTY]activity -0.25[/PROPERTY]\n", + "GT: 0.19 Gen: 0.93 diff: 0.74 [START_SMILES]Oc1ccc(cc1)C2CC(=O)c3ccc(O)cc3O2[END_SMILES][PROPERTY]activity 0.93[/PROPERTY]\n", + "GT: -1.84 Gen: -1.93 diff: 0.09 [START_SMILES]CCC(N(CCCN)C(=O)c1ccc(C)cc1)C2=Nc3ncccc3C(=O)N2Cc4ccccc4[END_SMILES][PROPERTY]activity -1.93[/PROPERTY]\n", + "GT: -1.88 Gen: -1.77 diff: 0.11 [START_SMILES]Cc1ccc2c(c1)c(Sc3ccc(cc3)S(=O)(=O)C)c(C)n2CC(=O)O[END_SMILES][PROPERTY]activity -1.77[/PROPERTY]\n", + "GT: 0.72 Gen: 1.43 diff: 0.71 [START_SMILES]OCCCN(Cc1ccc(F)cc1)C(=O)CC2CCN(Cc3ccn(c3)c4ccc(cc4)C(F)(F)F)CC2[END_SMILES][PROPERTY]activity 1.43[/PROPERTY]\n", + "GT: -0.73 Gen: -0.84 diff: 0.11 [START_SMILES]COC(=O)c1ccc(cc1)C(C)N2NC(=O)C3=C(C2=O)C(=O)c4ccc(Cl)cc4N3[END_SMILES][PROPERTY]activity -0.84[/PROPERTY]\n", + "GT: 0.19 Gen: 0.1 diff: 0.09 [START_SMILES]Oc1cccc(NC(=O)c2ccc(OCCCN3CCCC3)cc2OCc4cccc(c4)C#N)c1[END_SMILES][PROPERTY]activity 0.1[/PROPERTY]\n", + "GT: 0.6 Gen: 0.44 diff: 0.16 [START_SMILES]Cc1cnc(NC(=O)Cc2ccccc2)s1[END_SMILES][PROPERTY]activity 0.44[/PROPERTY]\n", + "GT: -1.37 Gen: -0.81 diff: 0.56 [START_SMILES]CN1CCC(=CC1)c2cccc(O)c2[END_SMILES][PROPERTY]activity -0.81[/PROPERTY]\n", + "GT: 1.57 Gen: 1.1 diff: 0.47 [START_SMILES]N(c1ccccc1)c2ccnc(Nc3ccccc3)n2[END_SMILES][PROPERTY]activity 1.1[/PROPERTY]\n", + "GT: 0.6 Gen: 0.91 diff: 0.31 [START_SMILES]C[C@@H](N(CC1CCS(=O)(=O)CC1)C(=O)Cc2ccc(c(F)c2)C(F)(F)F)C3=Nc4ncccc4C(=O)N3c5ccc(Cl)cc5[END_SMILES][PROPERTY]activity 0.91[/PROPERTY]\n", + "GT: -2.51 Gen: -1.72 diff: 0.79 [START_SMILES]CNC1(C)C2CCC(C2)C1(C)C[END_SMILES][PROPERTY]activity -1.72[/PROPERTY]\n", + "GT: -0.4 Gen: -0.19 diff: 0.21 [START_SMILES]CN1CCN(CC1)C(=O)c2cc3ccccc3[nH]2[END_SMILES][PROPERTY]activity -0.19[/PROPERTY]\n", + "GT: -0.73 Gen: 0.81 diff: 1.54 [START_SMILES]CC(C)NC[C@@H](C(=O)N1CCN(CC1)c2ncnc3[C@H](O)C[C@@H](C)c23)c4ccc(Cl)cc4[END_SMILES][PROPERTY]activity 0.81[/PROPERTY]\n", + "GT: 0.2 Gen: 0.04 diff: 0.16 [START_SMILES]COc1ccc(cc1)C(=O)C2CCN(CC2)C(=O)c3occc3[END_SMILES][PROPERTY]activity 0.04[/PROPERTY]\n", + "GT: -0.73 Gen: -0.81 diff: 0.08 [START_SMILES]Cc1nc(C)c(nc1C(=O)N)c2ccc3c(CC[C@@]34CC[C@H](CC4)C(=O)O)c2[END_SMILES][PROPERTY]activity -0.81[/PROPERTY]\n", + "GT: 1.27 Gen: 0.29 diff: 0.98 [START_SMILES]Cc1c(Sc2ccc(Cl)cc2)c3cc(ccc3n1CC(=O)O)c4ccccc4[END_SMILES][PROPERTY]activity 0.29[/PROPERTY]\n", + "GT: 1.85 Gen: 1.38 diff: 0.47 [START_SMILES]Oc1ccccc1OC(=O)c2cccc3ccccc23[END_SMILES][PROPERTY]activity 1.38[/PROPERTY]\n", + "GT: 0.35 Gen: -0.03 diff: 0.38 [START_SMILES]CCN(C1CCN(CC[C@H](C2CCN(CC2)S(=O)(=O)C)c3cc(Cl)cc(Cl)c3)CC1)C(=O)Cc4ccc(cc4)S(=O)(=O)C[END_SMILES][PROPERTY]activity -0.03[/PROPERTY]\n", + "GT: 0.4 Gen: 0.1 diff: 0.3 [START_SMILES]O=C(Nc1ccccc1)c2ccc(OCCCN3CCCC3)cc2OCc4ccccc4C#N[END_SMILES][PROPERTY]activity 0.1[/PROPERTY]\n", + "GT: 1.27 Gen: 0.57 diff: 0.7 [START_SMILES]COc1ccc(cc1)n2cnc3cc(NS(=O)(=O)c4ccccc4)ccc23[END_SMILES][PROPERTY]activity 0.57[/PROPERTY]\n", + "GT: 0.49 Gen: 0.38 diff: 0.11 [START_SMILES]CNS(=O)(=O)c1ccc2C(=CNC(=O)c2c1)C(=O)NC[C@@H](O)CN3CCC(CC3)Oc4ccc(Cl)c(Cl)c4[END_SMILES][PROPERTY]activity 0.38[/PROPERTY]\n", + "GT: 0.44 Gen: 0.69 diff: 0.25 [START_SMILES]OC(=O)c1ccc(NC(=O)c2cc(OCc3ccccc3)cc(OCc4ccccc4)c2)nc1[END_SMILES][PROPERTY]activity 0.69[/PROPERTY]\n", + "GT: 1.04 Gen: 0.69 diff: 0.35 [START_SMILES]Cc1cc(CNc2ncc(Br)c(Nc3cc([nH]n3)C4CC4)n2)on1[END_SMILES][PROPERTY]activity 0.69[/PROPERTY]\n", + "GT: 0.74 Gen: 0.11 diff: 0.63 [START_SMILES]Oc1cccc(NC(=O)c2ccc(OCCCN3CCCC3)cc2OCc4ccccc4)c1[END_SMILES][PROPERTY]activity 0.11[/PROPERTY]\n", + "GT: -2.66 Gen: -1.98 diff: 0.68 [START_SMILES]Cc1ccc(cc1)C(=O)c2ccc(CC(=O)O)n2C[END_SMILES][PROPERTY]activity -1.98[/PROPERTY]\n", + "GT: -1.17 Gen: -1.24 diff: 0.07 [START_SMILES]CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc4ccccc24)c(O)c1[END_SMILES][PROPERTY]activity -1.24[/PROPERTY]\n", + "GT: 0.19 Gen: -0.06 diff: 0.25 [START_SMILES]CNC1=Nc2ccc(Cl)cc2C(=[N+]([O-])C1)c3ccccc3[END_SMILES][PROPERTY]activity -0.06[/PROPERTY]\n", + "GT: 0.44 Gen: 0.11 diff: 0.33 [START_SMILES]Oc1ccccc1CCC(=O)Nc2ccccc2[END_SMILES][PROPERTY]activity 0.11[/PROPERTY]\n", + "GT: 1.32 Gen: 0.19 diff: 1.13 [START_SMILES]CSc1ccc2Sc3ccccc3N(CCC4CCCCN4C)c2c1[END_SMILES][PROPERTY]activity 0.19[/PROPERTY]\n", + "GT: 0.14 Gen: 0.44 diff: 0.3 [START_SMILES]Oc1ccc(cc1)C2=CC(=O)c3ccccc3N2[END_SMILES][PROPERTY]activity 0.44[/PROPERTY]\n", + "GT: -0.15 Gen: 0.29 diff: 0.44 [START_SMILES]NC(=O)c1ccn2c(c3ccccc3)c(nc2c1)c4ccc(cc4)C5(N)CCC5[END_SMILES][PROPERTY]activity 0.29[/PROPERTY]\n", + "GT: -2.58 Gen: -1.62 diff: 0.96 [START_SMILES]OC(=O)C1CCn2c1ccc2C(=O)c3ccccc3[END_SMILES][PROPERTY]activity -1.62[/PROPERTY]\n", + "GT: 1.77 Gen: 1.68 diff: 0.09 [START_SMILES]CC(C)C[C@H](CO)Nc1nc(S[C@@H](C)c2ccccc2)nc3NC(=O)Sc13[END_SMILES][PROPERTY]activity 1.68[/PROPERTY]\n", + "GT: -0.1 Gen: 0.1 diff: 0.2 [START_SMILES]COc1cc(F)ccc1c2cccc(CNC3CCCC3)n2[END_SMILES][PROPERTY]activity 0.1[/PROPERTY]\n", + "GT: 0.7 Gen: 0.59 diff: 0.11 [START_SMILES]CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(N3Cc4ccncc4C3)c(F)c2[END_SMILES][PROPERTY]activity 0.59[/PROPERTY]\n", + "GT: -0.4 Gen: 0.02 diff: 0.42 [START_SMILES]NC1(CCC1)c2ccc(cc2)c3ncc4cccnc4c3c5ccccc5[END_SMILES][PROPERTY]activity 0.02[/PROPERTY]\n", + "GT: 0.1 Gen: 0.56 diff: 0.46 [START_SMILES]C[C@@H]1CN(CCN1c2ncc(OCc3ccncc3C#N)cn2)C(=O)OCC(F)F[END_SMILES][PROPERTY]activity 0.56[/PROPERTY]\n", + "GT: 0.68 Gen: -0.54 diff: 1.22 [START_SMILES]CNc1ccc2ncc(c3cccc(O)c3)n2n1[END_SMILES][PROPERTY]activity -0.54[/PROPERTY]\n", + "GT: -0.28 Gen: -0.2 diff: 0.08 [START_SMILES]Oc1ccc(CCNCCCS(=O)(=O)NCCOCCSc2ccccc2)c3sc(O)nc13[END_SMILES][PROPERTY]activity -0.2[/PROPERTY]\n", + "GT: 0.27 Gen: -0.23 diff: 0.5 [START_SMILES]CN(C1CCN(Cc2nc3CCCCc3s2)CC1)C(=O)Cc4ccc(cc4)n5cnnn5[END_SMILES][PROPERTY]activity -0.23[/PROPERTY]\n", + "GT: -0.89 Gen: -1.24 diff: 0.35 [START_SMILES]O[C@@H](CNCCc1ccc(CNCCc2ccccc2)cc1)c3ccc(O)c4NC(=O)Sc34[END_SMILES][PROPERTY]activity -1.24[/PROPERTY]\n", + "GT: 0.09 Gen: -0.48 diff: 0.57 [START_SMILES]Clc1ccc2Oc3ccccc3N=C(N4CCNCC4)c2c1[END_SMILES][PROPERTY]activity -0.48[/PROPERTY]\n", + "GT: 0.69 Gen: -0.22 diff: 0.91 [START_SMILES]Nc1ncccc1NCc2cccc(c2)c3cccnc3[END_SMILES][PROPERTY]activity -0.22[/PROPERTY]\n", + "GT: 0.44 Gen: 0.19 diff: 0.25 [START_SMILES]O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N3CCC[C@H]3COc4ccccc4[END_SMILES][PROPERTY]activity 0.19[/PROPERTY]\n", + "GT: -0.19 Gen: -0.16 diff: 0.03 [START_SMILES]CC(C)CN1C(=O)N(C)C(=O)c2c1sc(Cc3ccnc4ccc(F)cc34)c2C(=O)N5CC[C@@H](O)C5[END_SMILES][PROPERTY]activity -0.16[/PROPERTY]\n", + "GT: 1.17 Gen: 1.17 diff: 0.0 [START_SMILES]COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN4CCC[C@@H]4C(=O)N[END_SMILES][PROPERTY]activity 1.17[/PROPERTY]\n", + "GT: 0.12 Gen: -0.1 diff: 0.22 [START_SMILES]CCC(N(CCCN)C(=O)c1ccc(C)cc1)C2=Nc3ccsc3C(=O)N2Cc4ccc(Cl)cc4[END_SMILES][PROPERTY]activity -0.1[/PROPERTY]\n", + "GT: 0.52 Gen: 0.19 diff: 0.33 [START_SMILES]CCOC(=O)\\C=C\\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)c2cc(C)on2)C(C)C)Cc3ccc(F)cc3[END_SMILES][PROPERTY]activity 0.19[/PROPERTY]\n", + "GT: -2.53 Gen: -0.75 diff: 1.78 [START_SMILES]CC(=O)Nc1ccc2c(c1)c(cn2CCC(=O)O)c3cc(NC4CC4)n5ncc(C#N)c5n3[END_SMILES][PROPERTY]activity -0.75[/PROPERTY]\n", + "GT: 1.9 Gen: 0.89 diff: 1.01 [START_SMILES]O[C@H](CNC(=O)N1C(=O)Nc2ccccc12)CN3CCC(CC3)Oc4ccc(Cl)c(Cl)c4[END_SMILES][PROPERTY]activity 0.89[/PROPERTY]\n", + "GT: 1.08 Gen: 1.03 diff: 0.05 [START_SMILES]CN1CCC[C@@H]1CCO[C@](C)(c2ccccc2)c3ccc(Cl)cc3[END_SMILES][PROPERTY]activity 1.03[/PROPERTY]\n", + "GT: 0.9 Gen: 0.93 diff: 0.03 [START_SMILES]COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN(C)C[END_SMILES][PROPERTY]activity 0.93[/PROPERTY]\n", + "GT: 1.05 Gen: 1.18 diff: 0.13 [START_SMILES]O=C(Nc1ccccc1)c2oc3ccccc3c2[END_SMILES][PROPERTY]activity 1.18[/PROPERTY]\n", + "GT: 0.54 Gen: 0.21 diff: 0.33 [START_SMILES]CC(C)n1c(C)ncc1c2ccnc(Nc3ccc(cc3)S(=O)(=O)CC4CCCO4)n2[END_SMILES][PROPERTY]activity 0.21[/PROPERTY]\n", + "GT: 0.3 Gen: -0.23 diff: 0.53 [START_SMILES]Cc1cc(OC2CCN(CC3CCN(CC3)[C@@H](Cc4ccc(F)cc4)C(=O)O)CC2)ccc1Cl[END_SMILES][PROPERTY]activity -0.23[/PROPERTY]\n", + "GT: 1.18 Gen: 0.8 diff: 0.38 [START_SMILES]Cc1ccc(COC(=O)N2CCC(CNc3ncccn3)CC2)cc1[END_SMILES][PROPERTY]activity 0.8[/PROPERTY]\n", + "GT: 0.89 Gen: 0.93 diff: 0.04 [START_SMILES]CN1CCN(CC1)C2=Nc3ccccc3Oc4ccc(Cl)cc24[END_SMILES][PROPERTY]activity 0.93[/PROPERTY]\n", + "GT: 0.47 Gen: 0.58 diff: 0.11 [START_SMILES]C[C@H](Nc1ccc2ncn(c3cc([nH]n3)C4CC4)c2n1)c5ncc(F)cn5[END_SMILES][PROPERTY]activity 0.58[/PROPERTY]\n", + "GT: 0.93 Gen: 1.08 diff: 0.15 [START_SMILES]N\\C(=C(\\C#N)/c1ccccc1C(F)(F)F)\\Sc2ccc(N)cc2[END_SMILES][PROPERTY]activity 1.08[/PROPERTY]\n", + "GT: -0.98 Gen: 0.04 diff: 1.02 [START_SMILES]Oc1ccc2C(=O)C=C(Oc2c1)N3CCOCC3[END_SMILES][PROPERTY]activity 0.04[/PROPERTY]\n", + "GT: 0.3 Gen: 0.55 diff: 0.25 [START_SMILES]Cc1ccccc1C[C@H](N2CCC(CN3CCC(CC3)Oc4ccc(Cl)c(Cl)c4)CC2)C(=O)O[END_SMILES][PROPERTY]activity 0.55[/PROPERTY]\n", + "GT: -1.15 Gen: -0.81 diff: 0.34 [START_SMILES]NC(=O)N1c2ccccc2C[C@H](O)c3ccccc13[END_SMILES][PROPERTY]activity -0.81[/PROPERTY]\n", + "GT: -2.5 Gen: -2.56 diff: 0.06 [START_SMILES]Cc1c(c2c(NS(=O)(=O)C)cccc2n1CC(=O)O)S(=O)(=O)c3ccc(Cl)cc3[END_SMILES][PROPERTY]activity -2.56[/PROPERTY]\n", + "GT: 0.07 Gen: 0.39 diff: 0.32 [START_SMILES]CC(C)n1c(C)ncc1c2nc(Nc3ccc(C(=O)NCCN(C)C)c(F)c3)ncc2F[END_SMILES][PROPERTY]activity 0.39[/PROPERTY]\n", + "GT: 0.77 Gen: 0.85 diff: 0.08 [START_SMILES]COc1cc(ccc1Nc2ncc(Cl)c(n2)c3cnc4c(CO)cccn34)N5CCN(CC5)C(=O)C[END_SMILES][PROPERTY]activity 0.85[/PROPERTY]\n", + "GT: 0.98 Gen: 0.47 diff: 0.51 [START_SMILES]Cc1ccc(cc1c2ccc(nc2)C(=O)NCC3CC3)C(=O)NC4CC4[END_SMILES][PROPERTY]activity 0.47[/PROPERTY]\n", + "GT: 0.51 Gen: 1.23 diff: 0.72 [START_SMILES]CCN(C)C(=O)c1ccc(cc1)C(=C2CCN(Cc3ccc(F)cc3)CC2)c4ccccc4NC(=O)C[END_SMILES][PROPERTY]activity 1.23[/PROPERTY]\n", + "GT: -1.36 Gen: -1.92 diff: 0.56 [START_SMILES]CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC[END_SMILES][PROPERTY]activity -1.92[/PROPERTY]\n", + "GT: 0.85 Gen: 0.52 diff: 0.33 [START_SMILES]Nc1ncc(cc1c2oc3ccccc3n2)c4cnn(c4)C5CCN(CC5)C(=O)CO[END_SMILES][PROPERTY]activity 0.52[/PROPERTY]\n", + "GT: -0.14 Gen: -0.3 diff: 0.16 [START_SMILES]NC(=O)c1cnc(N[C@H]2CCCNC2)c3cc(sc13)c4ccc(F)cc4[END_SMILES][PROPERTY]activity -0.3[/PROPERTY]\n", + "GT: -1.25 Gen: -0.57 diff: 0.68 [START_SMILES]CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(N3CCOCC3)c(F)c2[END_SMILES][PROPERTY]activity -0.57[/PROPERTY]\n", + "GT: -0.64 Gen: 1.72 diff: 2.36 [START_SMILES]CCOc1ccc(cc1)N2C(=O)c3cccnc3N=C2[C@@H](C)N(CC4CCN(C)CC4)C(=O)Cc5ccc(F)c(c5)C(F)(F)F[END_SMILES][PROPERTY]activity 1.72[/PROPERTY]\n", + "GT: -1.07 Gen: -0.7 diff: 0.37 [START_SMILES]CNCCCC12CCC(c3ccccc13)c4ccccc24[END_SMILES][PROPERTY]activity -0.7[/PROPERTY]\n", + "GT: 0.93 Gen: 0.19 diff: 0.74 [START_SMILES]CN1CCOc2cc(OC(=O)c3ccccc3)cnc12[END_SMILES][PROPERTY]activity 0.19[/PROPERTY]\n", + "GT: -0.06 Gen: -0.23 diff: 0.17 [START_SMILES]CC(C)n1c(C)ncc1c2ccnc(Nc3ccc(cc3)C(=O)N4CCN(C)CC4)n2[END_SMILES][PROPERTY]activity -0.23[/PROPERTY]\n", + "GT: 1.1 Gen: -0.64 diff: 1.74 [START_SMILES]OCC(O)COC(=O)c1ccccc1Nc2ccnc3cc(Cl)ccc23[END_SMILES][PROPERTY]activity -0.64[/PROPERTY]\n", + "GT: -1.14 Gen: -0.53 diff: 0.61 [START_SMILES]CC(=O)C1=C(C)c2cnc(Nc3ccc(cn3)N4CCNCC4)nc2N(C5CCCC5)C1=O[END_SMILES][PROPERTY]activity -0.53[/PROPERTY]\n", + "GT: -2.88 Gen: -1.24 diff: 1.64 [START_SMILES]CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(O)c3ccccc3[END_SMILES][PROPERTY]activity -1.24[/PROPERTY]\n", + "GT: -3.04 Gen: -2.13 diff: 0.91 [START_SMILES]SC1=Nc2[nH]cnc2C(=O)N1[END_SMILES][PROPERTY]activity -2.13[/PROPERTY]\n", + "GT: 0.85 Gen: 0.64 diff: 0.21 [START_SMILES]NC1(CCC1)c2ccc(cc2)c3nn4ccccc4c3c5ccccc5[END_SMILES][PROPERTY]activity 0.64[/PROPERTY]\n", + "GT: 0.93 Gen: 1.34 diff: 0.41 [START_SMILES]CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C[END_SMILES][PROPERTY]activity 1.34[/PROPERTY]\n", + "GT: -0.15 Gen: -0.15 diff: 0.0 [START_SMILES]CCN(CC)c1ccc2C=C(C(=O)C)C(=O)Oc2c1[END_SMILES][PROPERTY]activity -0.15[/PROPERTY]\n", + "GT: -2.62 Gen: -2.22 diff: 0.4 [START_SMILES]CC(C)NCC(O)COc1nccs1[END_SMILES][PROPERTY]activity -2.22[/PROPERTY]\n", + "GT: 0.79 Gen: 1.27 diff: 0.48 [START_SMILES]CS(=O)(=O)c1cccc(Nc2nccc(Nc3c(Cl)ccc4OCOc34)n2)c1[END_SMILES][PROPERTY]activity 1.27[/PROPERTY]\n", + "GT: -0.64 Gen: -0.64 diff: 0.0 [START_SMILES]CC(C)(C)NS(=O)(=O)c1cncc(c1)c2ccc3nc(N)nn3c2[END_SMILES][PROPERTY]activity -0.64[/PROPERTY]\n", + "GT: -0.2 Gen: 0.48 diff: 0.68 [START_SMILES]C[C@@H]1CN(CCN1C(=O)[C@@H]2CCCC[C@H]2C(=O)NC3(CC3)C#N)c4ccc5c(C)nnc(C)c5c4[END_SMILES][PROPERTY]activity 0.48[/PROPERTY]\n", + "GT: 0.08 Gen: 0.57 diff: 0.49 [START_SMILES]CC1=CN([C@H]2CCCN(C2)S(=O)(=O)c3ccc(O)c(Oc4cccc(c4)C(F)(F)F)c3)C(=O)NC1=O[END_SMILES][PROPERTY]activity 0.57[/PROPERTY]\n", + "GT: -0.02 Gen: 0.35 diff: 0.37 [START_SMILES]C[C@@H](NC(=O)[C@H]1CCCCN1)c2ccc(Nc3ncc4cc(ccc4n3)c5ccncc5)cc2[END_SMILES][PROPERTY]activity 0.35[/PROPERTY]\n", + "GT: -0.25 Gen: 1.18 diff: 1.43 [START_SMILES]Oc1ccc2C(=O)C(=COc2c1)c3ccc(O)c(O)c3[END_SMILES][PROPERTY]activity 1.18[/PROPERTY]\n", + "GT: -0.08 Gen: -0.1 diff: 0.02 [START_SMILES]Cc1cc(OC2CCN(CC3CCN(CC3)[C@@](C)(Cc4ccc(F)cc4)C(=O)O)CC2)ccc1Cl[END_SMILES][PROPERTY]activity -0.1[/PROPERTY]\n", + "GT: -1.0 Gen: 0.15 diff: 1.15 [START_SMILES]Cc1nnsc1C(=O)Nc2ccccc2[END_SMILES][PROPERTY]activity 0.15[/PROPERTY]\n", + "GT: 0.93 Gen: 0.61 diff: 0.32 [START_SMILES]Nc1nc2cc3CCN(Cc4cccc(F)c4)CCc3cc2s1[END_SMILES][PROPERTY]activity 0.61[/PROPERTY]\n", + "GT: 0.73 Gen: 0.85 diff: 0.12 [START_SMILES]Fc1ccccc1Nc2oc(nn2)C(=O)Nc3ccc(cc3)N4CCOCC4[END_SMILES][PROPERTY]activity 0.85[/PROPERTY]\n", + "GT: -2.54 Gen: -0.56 diff: 1.98 [START_SMILES]CN(C)c1ccc2N=C3C=CC(=[N+](C)C)C=C3Sc2c1[END_SMILES][PROPERTY]activity -0.56[/PROPERTY]\n", + "GT: 1.02 Gen: 1.1 diff: 0.08 [START_SMILES]COc1cc2ncc(C(=O)N)c(Nc3cccc(Cl)c3Cl)c2cc1OC[END_SMILES][PROPERTY]activity 1.1[/PROPERTY]\n", + "GT: -0.05 Gen: -0.24 diff: 0.19 [START_SMILES]CN1C[C@@H](c2ccccc2)c3cccc(N)c3C1[END_SMILES][PROPERTY]activity -0.24[/PROPERTY]\n", + "GT: 0.24 Gen: 0.54 diff: 0.3 [START_SMILES]COc1cccc(c1)C(=O)NCCCOc2cccc3ccc(N)nc23[END_SMILES][PROPERTY]activity 0.54[/PROPERTY]\n", + "GT: -1.24 Gen: -1.41 diff: 0.17 [START_SMILES]C(Oc1cccc2ccccc12)C3=NCCN3[END_SMILES][PROPERTY]activity -1.41[/PROPERTY]\n", + "GT: -2.79 Gen: -2.47 diff: 0.32 [START_SMILES]COc1cc(OC)c(cc1NC(=O)CSCC(=O)O)S(=O)(=O)N2C(C)CCc3ccccc23[END_SMILES][PROPERTY]activity -2.47[/PROPERTY]\n", + "GT: 0.93 Gen: 0.69 diff: 0.24 [START_SMILES]CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC3Cc4ccccc4C3[END_SMILES][PROPERTY]activity 0.69[/PROPERTY]\n", + "GT: 0.1 Gen: 0.44 diff: 0.34 [START_SMILES]NC1=CC2=NNC(=O)N2c3cc(ccc13)c4ccc[nH]4[END_SMILES][PROPERTY]activity 0.44[/PROPERTY]\n", + "GT: -0.17 Gen: -0.56 diff: 0.39 [START_SMILES]OC1=CC(=O)C2=C(O1)c3ccccc3N(Cc4ccccc4)C2=O[END_SMILES][PROPERTY]activity -0.56[/PROPERTY]\n", + "GT: 0.95 Gen: 1.53 diff: 0.58 [START_SMILES]CCCS(=O)(=O)c1ccc(cc1)C(CNS(=O)(=O)c2ccc(cc2)C(F)(F)F)N3CCCCCC3[END_SMILES][PROPERTY]activity 1.53[/PROPERTY]\n", + "GT: 1.63 Gen: 1.73 diff: 0.1 [START_SMILES]CCN1C(=O)N(CC2CC2)c3nn(Cc4ccnc5ccc(Cl)cc45)c(c3C1=O)c6cc(cn6C)C#N[END_SMILES][PROPERTY]activity 1.73[/PROPERTY]\n", + "GT: -0.85 Gen: 0.84 diff: 1.69 [START_SMILES]Fc1cc(Oc2ccc(cc2c3ccnnc3)C(F)(F)F)c(Cl)cc1S(=O)(=O)Nc4nncs4[END_SMILES][PROPERTY]activity 0.84[/PROPERTY]\n", + "GT: -1.31 Gen: -0.56 diff: 0.75 [START_SMILES]Clc1ccc(cc1)C(=O)N[C@H]2CN3CCC2CC3[END_SMILES][PROPERTY]activity -0.56[/PROPERTY]\n", + "GT: -0.56 Gen: 0.26 diff: 0.82 [START_SMILES]OC1(CN2CCC1CC2)c3ccc(cc3)c4ccccc4[END_SMILES][PROPERTY]activity 0.26[/PROPERTY]\n", + "GT: -0.06 Gen: -0.41 diff: 0.35 [START_SMILES]OC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1[END_SMILES][PROPERTY]activity -0.41[/PROPERTY]\n", + "GT: -0.32 Gen: -0.28 diff: 0.04 [START_SMILES]Fc1ccc(cc1)S(=O)(=O)NC(=O)N2CCC(CC2)N3CCC(CC3)Oc4ccc(Cl)c(Cl)c4[END_SMILES][PROPERTY]activity -0.28[/PROPERTY]\n", + "GT: -0.98 Gen: -0.89 diff: 0.09 [START_SMILES]Cc1ncc(nc1C(=O)N)c2ccc(cc2)[C@@H]3CC[C@@H](CC(=O)O)CC3[END_SMILES][PROPERTY]activity -0.89[/PROPERTY]\n", + "GT: 0.35 Gen: -0.69 diff: 1.04 [START_SMILES]CS(=O)(=O)C1(CC1)c2cc(nc(n2)c3ccccc3)N4CCOCC4[END_SMILES][PROPERTY]activity -0.69[/PROPERTY]\n", + "GT: 0.55 Gen: 0.34 diff: 0.21 [START_SMILES]OC(=O)c1cccc(c1)c2ccc3c(C(=O)NCC45CC6CC(CC(C6)C4)C5)c(Cl)ccc3n2[END_SMILES][PROPERTY]activity 0.34[/PROPERTY]\n", + "GT: 0.73 Gen: 1.09 diff: 0.36 [START_SMILES]OCCN1C(=O)C(Cc2ccccc12)NC(=O)c3cc4cc(Cl)sc4[nH]3[END_SMILES][PROPERTY]activity 1.09[/PROPERTY]\n", + "GT: -0.38 Gen: -1.04 diff: 0.66 [START_SMILES]COc1ccc2C(=CC(=O)N(CCN3CCC(CC3)NCc4cc5OCCOc5cn4)c2c1)C[END_SMILES][PROPERTY]activity -1.04[/PROPERTY]\n", + "GT: 0.03 Gen: 0.57 diff: 0.54 [START_SMILES]Oc1ccc(CCNCCCCCCOCCc2ccccc2)c3sc(O)nc13[END_SMILES][PROPERTY]activity 0.57[/PROPERTY]\n", + "GT: 0.48 Gen: 0.39 diff: 0.09 [START_SMILES]CCN(CC)CCNC(=O)c1c(C)[nH]c(\\C=C\\2/C(=O)Nc3ccc(Cl)cc23)c1C[END_SMILES][PROPERTY]activity 0.39[/PROPERTY]\n", + "GT: -2.51 Gen: -1.99 diff: 0.52 [START_SMILES]OC(=O)COc1ccc(C(=O)c2cccs2)c(Cl)c1Cl[END_SMILES][PROPERTY]activity -1.99[/PROPERTY]\n", + "GT: 0.3 Gen: 0.02 diff: 0.28 [START_SMILES]O[C@@H](CNCCSCCCOCCc1ccccc1)c2ccc(O)c3NC(=O)Sc23[END_SMILES][PROPERTY]activity 0.02[/PROPERTY]\n", + "GT: -0.56 Gen: 1.27 diff: 1.83 [START_SMILES]COc1ccccc1Oc2ccc(cc2)N(Cc3cccnc3)S(=O)(=O)CC(F)(F)F[END_SMILES][PROPERTY]activity 1.27[/PROPERTY]\n", + "GT: 0.05 Gen: 0.1 diff: 0.05 [START_SMILES]CC(=O)Nc1ccc2ccn(c3cc(NCCN4CCCC4)n5ncc(C#N)c5n3)c2c1[END_SMILES][PROPERTY]activity 0.1[/PROPERTY]\n", + "GT: 1.52 Gen: 0.69 diff: 0.83 [START_SMILES]Clc1ccc(cc1)c2cn3ccccc3n2[END_SMILES][PROPERTY]activity 0.69[/PROPERTY]\n", + "GT: 1.38 Gen: 1.69 diff: 0.31 [START_SMILES]O=C(CC12CC3CC(CC(C3)C1)C2)Nc4cccc5ncccc45[END_SMILES][PROPERTY]activity 1.69[/PROPERTY]\n", + "GT: 1.35 Gen: 0.52 diff: 0.83 [START_SMILES]c1ccc(cc1)c2c[nH]c(n2)c3ccccc3[END_SMILES][PROPERTY]activity 0.52[/PROPERTY]\n", + "GT: -0.72 Gen: -0.84 diff: 0.12 [START_SMILES]COc1ccc2C=CC(=O)N(CCN3CCC(CC3)NCc4cc5OCCOc5cn4)c2c1[END_SMILES][PROPERTY]activity -0.84[/PROPERTY]\n", + "GT: -0.06 Gen: -0.17 diff: 0.11 [START_SMILES]COc1ccnc(CCc2nc3c(C)ccnc3[nH]2)c1[END_SMILES][PROPERTY]activity -0.17[/PROPERTY]\n", + "GT: 1.57 Gen: 1.18 diff: 0.39 [START_SMILES]FC(F)(F)c1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C4CC4)CC2)cc1Cl[END_SMILES][PROPERTY]activity 1.18[/PROPERTY]\n", + "GT: -1.39 Gen: -1.61 diff: 0.22 [START_SMILES]CC(=O)Nc1ccccn1[END_SMILES][PROPERTY]activity -1.61[/PROPERTY]\n", + "GT: 0.29 Gen: 1.2 diff: 0.91 [START_SMILES]CCc1cc2C(=NCc3nnc(C)n3c2s1)c4ccccc4Cl[END_SMILES][PROPERTY]activity 1.2[/PROPERTY]\n", + "GT: -0.51 Gen: -0.64 diff: 0.13 [START_SMILES]O=C1NC(=NC(=C1C#N)c2ccccc2)SCc3ccccc3[END_SMILES][PROPERTY]activity -0.64[/PROPERTY]\n", + "GT: 0.44 Gen: 0.77 diff: 0.33 [START_SMILES]COc1cc(ccc1Cn2ccc3ccc(NC(=O)OC4CCCC4)cc23)c5nn[nH]n5[END_SMILES][PROPERTY]activity 0.77[/PROPERTY]\n", + "GT: 0.44 Gen: 0.54 diff: 0.1 [START_SMILES]Fc1ccc(cc1C#N)S(=O)(=O)NCC(N2CCCCCC2)c3ccccc3[END_SMILES][PROPERTY]activity 0.54[/PROPERTY]\n", + "GT: 0.22 Gen: 1.02 diff: 0.8 [START_SMILES]CC(C)c1nnc2ccc(cn12)c3ocnc3c4cc(F)ccc4F[END_SMILES][PROPERTY]activity 1.02[/PROPERTY]\n", + "GT: -0.57 Gen: -0.48 diff: 0.09 [START_SMILES]CS(=O)(=O)c1ccc2nc(sc2c1)N3CCN(CC3)C(=O)[C@@H]4CCCC[C@H]4C(=O)NC5(CC5)C#N[END_SMILES][PROPERTY]activity -0.48[/PROPERTY]\n", + "GT: 0.06 Gen: -0.55 diff: 0.61 [START_SMILES]O=C(Nc1nccs1)c2cccnc2[END_SMILES][PROPERTY]activity -0.55[/PROPERTY]\n", + "GT: 0.03 Gen: -1.29 diff: 1.32 [START_SMILES]O=C1C2CCC(N2)C(=O)N1Cc3ccccc3[END_SMILES][PROPERTY]activity -1.29[/PROPERTY]\n", + "GT: 0.41 Gen: 0.1 diff: 0.31 [START_SMILES]C[C@@H]1CN(CCN1C(=O)[C@@H]2CCCC[C@H]2C(=O)NC3(CC3)C#N)c4ccc5c(C)noc5c4[END_SMILES][PROPERTY]activity 0.1[/PROPERTY]\n", + "GT: 0.44 Gen: 0.98 diff: 0.54 [START_SMILES]COc1cc2ncnc(Nc3cc(NC(=O)c4ccnc(c4)N5CCOCC5)ccc3C)c2cc1OCCN6CCCC6[END_SMILES][PROPERTY]activity 0.98[/PROPERTY]\n", + "GT: -2.71 Gen: -2.57 diff: 0.14 [START_SMILES]N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O[END_SMILES][PROPERTY]activity -2.57[/PROPERTY]\n", + "GT: 0.37 Gen: 0.35 diff: 0.02 [START_SMILES]Clc1ccc(cc1)C(=O)CN2C3=NCCN3c4ccccc24[END_SMILES][PROPERTY]activity 0.35[/PROPERTY]\n", + "GT: -0.6 Gen: -0.73 diff: 0.13 [START_SMILES]COc1ccc2ncc(F)c(CCN3CCC(CC3)NCc4cc5OCCOc5cn4)c2n1[END_SMILES][PROPERTY]activity -0.73[/PROPERTY]\n", + "GT: -1.41 Gen: 0.27 diff: 1.68 [START_SMILES]CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12[END_SMILES][PROPERTY]activity 0.27[/PROPERTY]\n", + "GT: -0.84 Gen: -1.09 diff: 0.25 [START_SMILES]CN(C)CCOc1ccc(cc1)c2cc(C(=O)N)c(NC(=O)N)s2[END_SMILES][PROPERTY]activity -1.09[/PROPERTY]\n", + "GT: -0.14 Gen: -0.3 diff: 0.16 [START_SMILES]COc1cnc(nc1NC(C)C)c2ccccn2[END_SMILES][PROPERTY]activity -0.3[/PROPERTY]\n", + "GT: 1.18 Gen: 1.63 diff: 0.45 [START_SMILES]C=CCN(C1CCN(CCC(c2ccccc2)c3ccccc3)CC1)C(=O)Nc4ccccc4[END_SMILES][PROPERTY]activity 1.63[/PROPERTY]\n", + "GT: -0.21 Gen: 0.85 diff: 1.06 [START_SMILES]Clc1ccc(cc1)C(=O)Nc2oc(nn2)C(=O)Nc3ccc(cc3)N4CCOCC4[END_SMILES][PROPERTY]activity 0.85[/PROPERTY]\n", + "GT: 1.16 Gen: 1.18 diff: 0.02 [START_SMILES]COc1ccc2nc(NC(=O)CCc3ccc(OC)c(OC)c3)sc2c1[END_SMILES][PROPERTY]activity 1.18[/PROPERTY]\n", + "GT: 0.69 Gen: 0.93 diff: 0.24 [START_SMILES]Fc1ccc(Nc2oc(nn2)C(=O)Nc3ccc(nc3)N4CCOCC4)cc1[END_SMILES][PROPERTY]activity 0.93[/PROPERTY]\n", + "GT: -1.51 Gen: -0.25 diff: 1.26 [START_SMILES]NC(=N)c1ccc(cc1)C(=O)N2CCN(CC2)S(=O)(=O)c3ccc4cc(Br)ccc4c3[END_SMILES][PROPERTY]activity -0.25[/PROPERTY]\n", + "GT: -1.17 Gen: -1.06 diff: 0.11 [START_SMILES]COc1ccc2N=CC(=O)N(CCN3CC[C@H](NCc4cc5OCCOc5cn4)[C@H](O)C3)c2c1[END_SMILES][PROPERTY]activity -1.06[/PROPERTY]\n", + "GT: -0.29 Gen: -0.56 diff: 0.27 [START_SMILES]CC1=CN([C@H]2CCCN(C2)[C@H](CC3CCCCC3)c4ccc(C(=O)O)c(Oc5cccc(Cl)c5)c4)C(=O)NC1=O[END_SMILES][PROPERTY]activity -0.56[/PROPERTY]\n", + "GT: 0.84 Gen: 0.43 diff: 0.41 [START_SMILES]Nc1cccc2C(=O)N(Cc3cccc(Cl)c3)C(=O)c12[END_SMILES][PROPERTY]activity 0.43[/PROPERTY]\n", + "GT: 0.78 Gen: 0.86 diff: 0.08 [START_SMILES]Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1NC(=O)c3cccnc3[END_SMILES][PROPERTY]activity 0.86[/PROPERTY]\n", + "GT: 1.21 Gen: 1.38 diff: 0.17 [START_SMILES]Cc1cc(CCCOc2c(C)cc(cc2C)c3noc(n3)C(F)(F)F)on1[END_SMILES][PROPERTY]activity 1.38[/PROPERTY]\n", + "GT: 0.77 Gen: 0.1 diff: 0.67 [START_SMILES]CCOC(=O)c1ccc(OCC2CN(C2)c3ccc(C)nn3)cc1[END_SMILES][PROPERTY]activity 0.1[/PROPERTY]\n", + "GT: -1.06 Gen: -0.64 diff: 0.42 [START_SMILES]Nc1ncnc2c1ncn2[C@@H]3O[C@H](CSCCCNC(=O)NCc4ccccc4)[C@@H](O)[C@H]3O[END_SMILES][PROPERTY]activity -0.64[/PROPERTY]\n", + "GT: -1.14 Gen: -1.09 diff: 0.05 [START_SMILES]CCC(N1NC(=O)c2nc3cc(Cl)ccc3c(O)c2C1=O)c4ccccn4[END_SMILES][PROPERTY]activity -1.09[/PROPERTY]\n", + "GT: -0.56 Gen: -0.06 diff: 0.5 [START_SMILES]COc1ccc(Nc2cc(Nc3ccc(OCC(O)CN(C)C)cc3)ncn2)cc1[END_SMILES][PROPERTY]activity -0.06[/PROPERTY]\n", + "GT: 0.2 Gen: -0.11 diff: 0.31 [START_SMILES]COc1ccc(cc1)c2cc(N)n3ncc(C#N)c3n2[END_SMILES][PROPERTY]activity -0.11[/PROPERTY]\n", + "GT: 0.19 Gen: 0.87 diff: 0.68 [START_SMILES]ONC(=O)CN1C(=O)C(Cc2ccccc12)NC(=O)c3cc4cc(Cl)sc4[nH]3[END_SMILES][PROPERTY]activity 0.87[/PROPERTY]\n", + "GT: -0.45 Gen: -0.64 diff: 0.19 [START_SMILES]CCN(C1CCN(CCC(C2CCN(CC2)S(=O)(=O)CC)c3ccccc3)CC1)C(=O)Cc4ccc(cc4)S(=O)(=O)C[END_SMILES][PROPERTY]activity -0.64[/PROPERTY]\n", + "GT: 0.54 Gen: 0.79 diff: 0.25 [START_SMILES]O=S(=O)(Cc1ccccc1)NCC(N2CCCCCC2)c3ccccc3[END_SMILES][PROPERTY]activity 0.79[/PROPERTY]\n", + "GT: 0.35 Gen: 0.77 diff: 0.42 [START_SMILES]COc1cc2ncnc(Nc3cccc(O)c3)c2cc1OC[END_SMILES][PROPERTY]activity 0.77[/PROPERTY]\n", + "GT: -1.64 Gen: -1.28 diff: 0.36 [START_SMILES]O=C1C=CN=C2C=CC=CN12[END_SMILES][PROPERTY]activity -1.28[/PROPERTY]\n", + "GT: 1.01 Gen: -0.03 diff: 1.04 [START_SMILES]CCN(C1CCN(CC[C@H](C2CCN(CC2)S(=O)(=O)C(F)(F)F)c3ccccc3)CC1)C(=O)Cc4ccc(cc4)S(=O)(=O)C[END_SMILES][PROPERTY]activity -0.03[/PROPERTY]\n", + "GT: 0.85 Gen: 1.1 diff: 0.25 [START_SMILES]COc1cc(ccc1Nc2ncc(Cl)c(n2)c3cnc4c(F)cc(F)cn34)N5CCN(CC5)C(=O)C[END_SMILES][PROPERTY]activity 1.1[/PROPERTY]\n", + "GT: -0.64 Gen: 0.02 diff: 0.66 [START_SMILES]Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]56[C@@H](Oc1c25)c7[nH]c8[C@@H]9Oc%10c(O)ccc%11C[C@H]%12N(CC%13CC%13)CC[C@@]9(c%10%11)[C@@]%12(O)Cc8c7C[C@@]36O[END_SMILES][PROPERTY]activity 0.02[/PROPERTY]\n", + "GT: 1.63 Gen: 1.43 diff: 0.2 [START_SMILES]CC(C)(C)NC(=O)C(N(Cc1occc1)C(=O)c2ccc([nH]2)c3ccccc3)c4ccncc4[END_SMILES][PROPERTY]activity 1.43[/PROPERTY]\n", + "GT: -1.14 Gen: -0.89 diff: 0.25 [START_SMILES]C1CN2C[C@@H](N=C2S1)c3ccccc3[END_SMILES][PROPERTY]activity -0.89[/PROPERTY]\n", + "GT: 1.02 Gen: 1.08 diff: 0.06 [START_SMILES]N\\C(=C(/C#N)\\c1ccccc1C(F)(F)F)\\Sc2ccc(N)cc2[END_SMILES][PROPERTY]activity 1.08[/PROPERTY]\n", + "GT: 1.1 Gen: 0.11 diff: 0.99 [START_SMILES]Cc1oc(nc1CCOc2ccc(C[C@H](Nc3ccccc3C(=O)c4ccccc4)C(=O)O)cc2)c5ccccc5[END_SMILES][PROPERTY]activity 0.11[/PROPERTY]\n", + "GT: -0.81 Gen: -0.81 diff: 0.0 [START_SMILES]Cc1nc(C)c(nc1C(=O)N)c2ccc3c(CC[C@@]34CC[C@@H](CC4)C(=O)O)c2[END_SMILES][PROPERTY]activity -0.81[/PROPERTY]\n", + "GT: 0.52 Gen: 0.44 diff: 0.08 [START_SMILES]CNC(=O)c1nc(cnc1N)c2ccc(Cl)c(c2)S(=O)(=O)Nc3cccc(F)c3F[END_SMILES][PROPERTY]activity 0.44[/PROPERTY]\n", + "GT: 1.36 Gen: 1.28 diff: 0.08 [START_SMILES]CC[C@H](NC(=O)c1c([S+]([O-])C(C)C)c(nc2ccccc12)c3ccccc3)c4ccccc4[END_SMILES][PROPERTY]activity 1.28[/PROPERTY]\n", + "GT: -0.55 Gen: -0.23 diff: 0.32 [START_SMILES]Clc1ccc(cc1)C2(CCNCC2)c3ccc(cc3)c4cn[nH]c4[END_SMILES][PROPERTY]activity -0.23[/PROPERTY]\n", + "GT: -1.56 Gen: -1.33 diff: 0.23 [START_SMILES]OC(=O)c1cccc(c1)c2cccc(c2)C#N[END_SMILES][PROPERTY]activity -1.33[/PROPERTY]\n", + "GT: -1.55 Gen: -1.06 diff: 0.49 [START_SMILES]Cc1cnc(cn1)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3[END_SMILES][PROPERTY]activity -1.06[/PROPERTY]\n", + "GT: 1.42 Gen: 0.19 diff: 1.23 [START_SMILES][O-][N+](=O)c1cccc(c1)c2ccc(OCC(CCc3ccncc3)N4C(=O)CCC4=O)cc2[END_SMILES][PROPERTY]activity 0.19[/PROPERTY]\n", + "GT: -0.4 Gen: -0.64 diff: 0.24 [START_SMILES]O=S(=O)(Nc1cccc2[nH]ncc12)c3cccs3[END_SMILES][PROPERTY]activity -0.64[/PROPERTY]\n", + "GT: 1.4 Gen: 1.18 diff: 0.22 [START_SMILES]Oc1ccc(cc1)C(c2ccc(O)cc2)C(Cl)(Cl)Cl[END_SMILES][PROPERTY]activity 1.18[/PROPERTY]\n", + "GT: -2.59 Gen: -2.51 diff: 0.08 [START_SMILES]NS(=O)(=O)c1cc(cc(N2CCCC2)c1Oc3ccccc3)C(=O)O[END_SMILES][PROPERTY]activity -2.51[/PROPERTY]\n", + "GT: 0.68 Gen: 0.47 diff: 0.21 [START_SMILES]CN(C)CCOc1cc(NS(=O)(=O)c2c(Cl)cc(cc2Cl)C(F)(F)F)ccc1Cl[END_SMILES][PROPERTY]activity 0.47[/PROPERTY]\n", + "GT: 1.02 Gen: 1.35 diff: 0.33 [START_SMILES]CO[C@@H]1CC[C@@]2(CC1)Cc3ccc(cc3C24N=C(C)C(=N4)N)c5cncc(Br)c5[END_SMILES][PROPERTY]activity 1.35[/PROPERTY]\n", + "GT: 0.47 Gen: 0.42 diff: 0.05 [START_SMILES]Clc1ccc(CN(Cc2ccc(Cl)cc2)c3nn[nH]n3)cc1[END_SMILES][PROPERTY]activity 0.42[/PROPERTY]\n", + "GT: -0.76 Gen: -0.34 diff: 0.42 [START_SMILES]OC(=O)c1c(C#N)c2ccccc2n1Cc3ccc(Cl)c(Cl)c3[END_SMILES][PROPERTY]activity -0.34[/PROPERTY]\n", + "GT: 0.69 Gen: 0.58 diff: 0.11 [START_SMILES]Cc1ccc(cc1NC(=O)c2ccc(OCc3ccccn3)cc2)c4ncc[nH]4[END_SMILES][PROPERTY]activity 0.58[/PROPERTY]\n", + "GT: 0.97 Gen: 0.27 diff: 0.7 [START_SMILES]C[C@@H](NC(=O)C1CCCCN1C)c2ccc(Nc3ncc4cc(ccc4n3)c5ccncc5)cc2[END_SMILES][PROPERTY]activity 0.27[/PROPERTY]\n", + "GT: 0.94 Gen: 1.26 diff: 0.32 [START_SMILES]Clc1ccc2NC(=O)CN(C(c3ccccc3)c2c1)C(=O)c4ccccc4[END_SMILES][PROPERTY]activity 1.26[/PROPERTY]\n", + "GT: 0.09 Gen: 0.13 diff: 0.04 [START_SMILES]CCCN(C)c1nc(ccc1C(=O)NC2CCCCC2)N3CCC[C@@H](CC(=O)O)C3[END_SMILES][PROPERTY]activity 0.13[/PROPERTY]\n", + "GT: -2.35 Gen: -2.57 diff: 0.22 [START_SMILES]CCS(=O)(=O)c1ccc(c(C)c1)c2cc(Cl)ccc2OCC(=O)O[END_SMILES][PROPERTY]activity -2.57[/PROPERTY]\n", + "GT: -0.19 Gen: 0.58 diff: 0.77 [START_SMILES]CCCSc1ncccc1C(=O)N2CCCC2c3ccncc3[END_SMILES][PROPERTY]activity 0.58[/PROPERTY]\n", + "GT: 0.99 Gen: 1.77 diff: 0.78 [START_SMILES]Clc1cc(Cl)cc(NC(=O)NCC2(CCN(CC3CC3)CC2)c4ccc(cc4)c5cccc(c5)C#N)c1[END_SMILES][PROPERTY]activity 1.77[/PROPERTY]\n", + "GT: -2.71 Gen: -2.39 diff: 0.32 [START_SMILES]OC(=O)COc1ccc(cc1c2ccccc2)C#N[END_SMILES][PROPERTY]activity -2.39[/PROPERTY]\n", + "GT: 1.1 Gen: 1.07 diff: 0.03 [START_SMILES]OC1(CCN(CC1)c2ccc3nnc(n3n2)C(F)(F)F)c4ccc(F)cc4[END_SMILES][PROPERTY]activity 1.07[/PROPERTY]\n", + "GT: -0.64 Gen: -0.81 diff: 0.17 [START_SMILES]CCOC(=O)C1(CCN(C)CC1)c2ccccc2[END_SMILES][PROPERTY]activity -0.81[/PROPERTY]\n", + "GT: 1.24 Gen: 1.71 diff: 0.47 [START_SMILES]CN1C(=O)N(CC2CC2)c3nn(Cc4ccnc5ccc(Cl)cc45)c(c6cc(cn6C)C#N)c3C1=O[END_SMILES][PROPERTY]activity 1.71[/PROPERTY]\n", + "GT: 0.34 Gen: 0.87 diff: 0.53 [START_SMILES]Cc1cc(Oc2ccnc(Nc3ccc(cc3)N4CCOCC4)c2)c(nc1C)c5ccccn5[END_SMILES][PROPERTY]activity 0.87[/PROPERTY]\n", + "GT: 1.92 Gen: 1.63 diff: 0.29 [START_SMILES]CCSc1c(Cc2ccccc2C(F)(F)F)sc3N(CC(C)C)C(=O)N(C)C(=O)c13[END_SMILES][PROPERTY]activity 1.63[/PROPERTY]\n", + "GT: 0.41 Gen: 0.19 diff: 0.22 [START_SMILES]CCN(C1CCN(CCC(N2CCN(CC2)c3ccccc3)c4ccccc4)CC1)C(=O)Cc5ccc(cc5)S(=O)(=O)C[END_SMILES][PROPERTY]activity 0.19[/PROPERTY]\n", + "GT: -0.64 Gen: 0.02 diff: 0.66 [START_SMILES]CN(C)CCCC(NC(=O)C1(N)CCN(CC1)c2ncnc3[nH]ccc23)c4ccc(Cl)cc4[END_SMILES][PROPERTY]activity 0.02[/PROPERTY]\n", + "GT: 0.85 Gen: 0.93 diff: 0.08 [START_SMILES]Nc1ccc(cc1)c2nc3ccc(O)cc3s2[END_SMILES][PROPERTY]activity 0.93[/PROPERTY]\n", + "GT: -0.17 Gen: 0.52 diff: 0.69 [START_SMILES]COc1cc(OC)c(cc1NC(=O)C)S(=O)(=O)N2C(C)CCc3ccccc23[END_SMILES][PROPERTY]activity 0.52[/PROPERTY]\n", + "GT: 1.05 Gen: 0.11 diff: 0.94 [START_SMILES]Nc1ccc(cn1)C(=O)Nc2cccc(c2)c3nc(N4CCOCC4)c5oc6ncccc6c5n3[END_SMILES][PROPERTY]activity 0.11[/PROPERTY]\n", + "GT: -1.09 Gen: -1.14 diff: 0.05 [START_SMILES]COc1ccccc1CNC(=O)NS(=O)(=O)c2ccc(Cl)cc2[END_SMILES][PROPERTY]activity -1.14[/PROPERTY]\n", + "GT: 0.91 Gen: 1.02 diff: 0.11 [START_SMILES]CC(C)(C)OC(=O)N1CCN(CC1)c2ncc(OCc3ccc(cc3)S(=O)(=O)C)cn2[END_SMILES][PROPERTY]activity 1.02[/PROPERTY]\n", + "GT: -1.13 Gen: -0.81 diff: 0.32 [START_SMILES]COC1=CC=C2C(=CC1=O)[C@H](CCc3cc(OC)c(OC)c(OC)c23)NC(=O)C[END_SMILES][PROPERTY]activity -0.81[/PROPERTY]\n", + "GT: 0.33 Gen: 0.35 diff: 0.02 [START_SMILES]CC(C)n1c(C)ncc1c2ccnc(Nc3ccc(cc3)N4CCN(CC4)S(=O)(=O)C)n2[END_SMILES][PROPERTY]activity 0.35[/PROPERTY]\n", + "GT: 0.67 Gen: 0.35 diff: 0.32 [START_SMILES]OC(=O)[C@H](Cc1ccc(F)cc1)N2CCC(CN3CCC(CC3)Oc4ccc(Cl)c(Cl)c4)CC2[END_SMILES][PROPERTY]activity 0.35[/PROPERTY]\n", + "GT: 1.24 Gen: 0.44 diff: 0.8 [START_SMILES]O[C@H](CNC(=O)C1=CNC(=O)c2cc(ccc12)S(=O)(=O)NC3CC3)CN4CCC(CC4)Oc5ccc(Cl)c(Cl)c5[END_SMILES][PROPERTY]activity 0.44[/PROPERTY]\n", + "GT: 0.89 Gen: 0.26 diff: 0.63 [START_SMILES]Cc1ccc(cc1)c2ccc(F)cc2COc3ccc(CCC(=O)O)cc3[END_SMILES][PROPERTY]activity 0.26[/PROPERTY]\n", + "GT: 0.18 Gen: 0.95 diff: 0.77 [START_SMILES]O[C@@H]1CCN(C1)c2ccc3c(NC(=O)CNc4cccc(c4)C#N)c(Cl)ccc3n2[END_SMILES][PROPERTY]activity 0.95[/PROPERTY]\n", + "GT: -1.06 Gen: -1.56 diff: 0.5 [START_SMILES]NC(=O)C1CCCCC1[END_SMILES][PROPERTY]activity -1.56[/PROPERTY]\n", + "GT: 0.15 Gen: -0.44 diff: 0.59 [START_SMILES]CC1=CC2=NNC(=O)N2c3ccccc13[END_SMILES][PROPERTY]activity -0.44[/PROPERTY]\n", + "GT: -1.34 Gen: -0.91 diff: 0.43 [START_SMILES]CC(COc1ccccc1)NC(C)C(O)c2ccc(O)cc2[END_SMILES][PROPERTY]activity -0.91[/PROPERTY]\n", + "GT: 1.24 Gen: 1.1 diff: 0.14 [START_SMILES]C[C@@H](Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)N(C)C[END_SMILES][PROPERTY]activity 1.1[/PROPERTY]\n", + "GT: -0.29 Gen: -0.63 diff: 0.34 [START_SMILES]C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)nc(OC(C4CC4)C(F)(F)F)nc23[END_SMILES][PROPERTY]activity -0.63[/PROPERTY]\n", + "GT: -1.02 Gen: -0.41 diff: 0.61 [START_SMILES]CCNCc1cnc(s1)c2ccc(cc2)C(=O)Nc3ccccc3N[END_SMILES][PROPERTY]activity -0.41[/PROPERTY]\n", + "GT: 0.93 Gen: 0.6 diff: 0.33 [START_SMILES]Fc1cnc(NC(=O)C(CC2CCOCC2)c3ccc(cc3)S(=O)(=O)C4CC4)s1[END_SMILES][PROPERTY]activity 0.6[/PROPERTY]\n", + "GT: -1.24 Gen: -0.94 diff: 0.3 [START_SMILES]CC(C)C(NC(=O)CN1C(=O)C(=CN=C1c2cccs2)N)C(=O)C(F)(F)F[END_SMILES][PROPERTY]activity -0.94[/PROPERTY]\n", + "GT: 0.48 Gen: -0.06 diff: 0.54 [START_SMILES]CC(C)N1CCN(CC1)C(=O)NCc2ccc(Cl)c(Cl)c2[END_SMILES][PROPERTY]activity -0.06[/PROPERTY]\n", + "GT: 0.25 Gen: 0.03 diff: 0.22 [START_SMILES]Nc1cc(nc2c(cnn12)C#N)c3ccccc3[END_SMILES][PROPERTY]activity 0.03[/PROPERTY]\n", + "GT: 0.5 Gen: 0.27 diff: 0.23 [START_SMILES]NC(=O)c1cnc(N[C@H]2CCCNC2)c3cc(sc13)c4ccc(Cl)cc4[END_SMILES][PROPERTY]activity 0.27[/PROPERTY]\n", + "GT: 0.59 Gen: 1.6 diff: 1.01 [START_SMILES]Clc1ccc(c(Cl)c1)c2nnc3cccc(Cl)n23[END_SMILES][PROPERTY]activity 1.6[/PROPERTY]\n", + "GT: -0.06 Gen: -0.06 diff: 0.0 [START_SMILES]CN(C)CC(O)COc1ccc(Nc2cc(ncn2)N(CCC#N)c3cc(Cl)ccc3Cl)cc1[END_SMILES][PROPERTY]activity -0.06[/PROPERTY]\n", + "GT: -0.93 Gen: -0.94 diff: 0.01 [START_SMILES]NC(=O)Nc1sc(cc1C(=O)N[C@H]2CCCNC2)c3ccsc3[END_SMILES][PROPERTY]activity -0.94[/PROPERTY]\n", + "GT: -0.19 Gen: -0.26 diff: 0.07 [START_SMILES]COc1cc(OC)c(cc1NC(=O)C)S(=O)(=O)N2C(C)Cc3ccccc23[END_SMILES][PROPERTY]activity -0.26[/PROPERTY]\n", + "GT: -0.9 Gen: -1.29 diff: 0.39 [START_SMILES]O[C@@H](CNCCCOCCOCCc1ccccc1)c2ccc(O)c3NC(=O)Sc23[END_SMILES][PROPERTY]activity -1.29[/PROPERTY]\n", + "GT: 0.6 Gen: 0.59 diff: 0.01 [START_SMILES]CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4ocnc34)n2)c1[END_SMILES][PROPERTY]activity 0.59[/PROPERTY]\n", + "GT: -0.19 Gen: -0.26 diff: 0.07 [START_SMILES]Clc1ccc(cc1Cl)[C@@H]2CNCC=CC2[END_SMILES][PROPERTY]activity -0.26[/PROPERTY]\n", + "GT: 0.6 Gen: 0.85 diff: 0.25 [START_SMILES]Fc1ccc(Nc2oc(nn2)C(=O)Nc3ccc(nc3)N4CCOCC4)cc1F[END_SMILES][PROPERTY]activity 0.85[/PROPERTY]\n", + "GT: 1.02 Gen: 0.87 diff: 0.15 [START_SMILES]COc1cc(ccc1Nc2ncc(Cl)c(n2)c3cnc4ccccn34)C(=O)N5CCOCC5[END_SMILES][PROPERTY]activity 0.87[/PROPERTY]\n", + "GT: 1.6 Gen: 1.51 diff: 0.09 [START_SMILES]Oc1ccc(cc1)c2nc3ccccc3s2[END_SMILES][PROPERTY]activity 1.51[/PROPERTY]\n", + "GT: -0.22 Gen: -0.48 diff: 0.26 [START_SMILES]Nc1cc(ncn1)c2ccccc2[END_SMILES][PROPERTY]activity -0.48[/PROPERTY]\n", + "GT: -0.33 Gen: -0.43 diff: 0.1 [START_SMILES]C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)nc(OCC4CC45CC5)nc23[END_SMILES][PROPERTY]activity -0.43[/PROPERTY]\n", + "GT: 0.68 Gen: 0.44 diff: 0.24 [START_SMILES]Cn1ncc(Cl)c1c2cc(sc2Cl)C(=O)N[C@H](CN)Cc3cccc(F)c3[END_SMILES][PROPERTY]activity 0.44[/PROPERTY]\n", + "GT: 0.78 Gen: 0.3 diff: 0.48 [START_SMILES]COCCNC(=O)c1ccc(Nc2ncc3cc(ccc3n2)c4cccnc4)cc1[END_SMILES][PROPERTY]activity 0.3[/PROPERTY]\n", + "GT: 0.1 Gen: 0.19 diff: 0.09 [START_SMILES]S=C(NC1CCCCC1)N2CCC(CC2)c3cnc[nH]3[END_SMILES][PROPERTY]activity 0.19[/PROPERTY]\n", + "GT: -0.8 Gen: -0.89 diff: 0.09 [START_SMILES]C[C@H]1CN(Cc2cc(Cl)ccc2OCC(=O)O)CCN1C(=O)Cc3ccc(Cl)cc3[END_SMILES][PROPERTY]activity -0.89[/PROPERTY]\n", + "GT: -0.4 Gen: -0.64 diff: 0.24 [START_SMILES]NS(=O)(=O)c1ccc(NCc2ccccc2)cc1[END_SMILES][PROPERTY]activity -0.64[/PROPERTY]\n", + "GT: 0.31 Gen: 0.27 diff: 0.04 [START_SMILES]Fc1cc(Cl)ccc1N2CCN(CC2)C(=O)COCc3ccncc3[END_SMILES][PROPERTY]activity 0.27[/PROPERTY]\n", + "GT: 1.02 Gen: 0.69 diff: 0.33 [START_SMILES]COc1cc2ncc(C(=O)N)c(Nc3ccccc3C)c2cc1OC[END_SMILES][PROPERTY]activity 0.69[/PROPERTY]\n", + "GT: 1.02 Gen: 0.85 diff: 0.17 [START_SMILES]CCOc1ccc2nc(NC(=O)CC)sc2c1[END_SMILES][PROPERTY]activity 0.85[/PROPERTY]\n", + "GT: -0.79 Gen: -0.25 diff: 0.54 [START_SMILES]CCC(=O)N1CCN(CC1)C(=O)c2cc(CC3=NNC(=O)c4ccccc34)ccc2F[END_SMILES][PROPERTY]activity -0.25[/PROPERTY]\n", + "GT: 0.31 Gen: 0.0 diff: 0.31 [START_SMILES]CCOc1cc(Nc2nc3c(cc2F)ncn3[C@@H](CO)c4ccc(F)cn4)n[nH]1[END_SMILES][PROPERTY]activity 0.0[/PROPERTY]\n", + "GT: -2.23 Gen: -2.27 diff: 0.04 [START_SMILES]NC(=N)NC(=O)c1nc(Cl)c(NCc2ccncc2)nc1N[END_SMILES][PROPERTY]activity -2.27[/PROPERTY]\n", + "GT: -0.26 Gen: -0.73 diff: 0.47 [START_SMILES]Fc1cc(cc(F)c1CN2CCOCC2)c3cccc4ncc(nc34)c5cnn(c5)C6CCNCC6[END_SMILES][PROPERTY]activity -0.73[/PROPERTY]\n", + "GT: -1.75 Gen: -0.87 diff: 0.88 [START_SMILES]NC(=O)c1cccc(O[C@@H]2C[C@H]3CC[C@@H](C2)N3CC4CC4)c1[END_SMILES][PROPERTY]activity -0.87[/PROPERTY]\n", + "GT: 0.31 Gen: 0.52 diff: 0.21 [START_SMILES]CC(C)N1C(=O)N(C)C(=O)c2c1sc(Cc3ccccc3C(F)(F)F)c2C(=O)N4CCS(=O)(=O)C4[END_SMILES][PROPERTY]activity 0.52[/PROPERTY]\n", + "GT: 0.17 Gen: 0.45 diff: 0.28 [START_SMILES]C[C@H]1COCCN1c2cc(CS(=O)(=O)C)nc(n2)c3ccc4[nH]ccc4c3[END_SMILES][PROPERTY]activity 0.45[/PROPERTY]\n", + "GT: -1.09 Gen: -1.47 diff: 0.38 [START_SMILES]CCc1ccc(CCNCCCSCCNC[C@H](O)c2ccc(O)c3NC(=O)Sc23)cc1[END_SMILES][PROPERTY]activity -1.47[/PROPERTY]\n", + "GT: 0.29 Gen: -0.69 diff: 0.98 [START_SMILES]NC1=NC(=CC(=O)N1)CCc2cccc(Br)c2[END_SMILES][PROPERTY]activity -0.69[/PROPERTY]\n", + "GT: 0.69 Gen: 0.87 diff: 0.18 [START_SMILES]Oc1ccc(cc1)C2=Cc3ccccc3OC2=O[END_SMILES][PROPERTY]activity 0.87[/PROPERTY]\n", + "GT: 0.93 Gen: 0.69 diff: 0.24 [START_SMILES]C[C@@H]1CN(CCN1c2ncc(OCc3ccc(cc3C#N)S(=O)(=O)C)cn2)C(=O)OC(C)(C)C[END_SMILES][PROPERTY]activity 0.69[/PROPERTY]\n", + "GT: -0.31 Gen: 0.1 diff: 0.41 [START_SMILES]COc1cc(OC2CCNCC2)ccc1Nc3ncc(Cl)c(n3)c4cnc5ccccn45[END_SMILES][PROPERTY]activity 0.1[/PROPERTY]\n", + "GT: -0.14 Gen: -0.6 diff: 0.46 [START_SMILES]CN(C1CCCCC1)C(=O)c2cnn(c2NS(=O)(=O)c3ccc(C)cc3)c4ccccc4[END_SMILES][PROPERTY]activity -0.6[/PROPERTY]\n", + "GT: -0.08 Gen: -0.5 diff: 0.42 [START_SMILES]COc1ccc2nccc(C(O)C3CC4(CCN3CC4)C=C)c2c1[END_SMILES][PROPERTY]activity -0.5[/PROPERTY]\n", + "GT: 1.13 Gen: 0.93 diff: 0.2 [START_SMILES]COc1ccccc1N2CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC2[END_SMILES][PROPERTY]activity 0.93[/PROPERTY]\n", + "GT: -0.92 Gen: -0.47 diff: 0.45 [START_SMILES]Cc1nc(CS(=O)(=O)c2ccccc2)cc(n1)N3CCOCC3[END_SMILES][PROPERTY]activity -0.47[/PROPERTY]\n", + "GT: 0.85 Gen: 0.93 diff: 0.08 [START_SMILES]Nc1ncnc2nc(cc(c3cccc(Br)c3)c12)c4ccc(nc4)N5CCOCC5[END_SMILES][PROPERTY]activity 0.93[/PROPERTY]\n", + "GT: -0.25 Gen: -0.3 diff: 0.05 [START_SMILES]CCC(CC)n1nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)c1NS(=O)(=O)c2ccc(C)cc2[END_SMILES][PROPERTY]activity -0.3[/PROPERTY]\n", + "GT: -1.79 Gen: -0.86 diff: 0.93 [START_SMILES]O[C@@H](CNCCc1ccc(NC[C@H](O)c2ccccc2)cc1)c3ccc(O)c(NC=O)c3[END_SMILES][PROPERTY]activity -0.86[/PROPERTY]\n", + "GT: 0.79 Gen: 0.83 diff: 0.04 [START_SMILES]CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c2cccc3ccccc23[END_SMILES][PROPERTY]activity 0.83[/PROPERTY]\n", + "GT: 0.54 Gen: 0.02 diff: 0.52 [START_SMILES]COc1ccc(cc1C(=O)N)c2ccc3c(nc(nc3n2)N4CCOC[C@@H]4C)N5CCOC[C@@H]5C[END_SMILES][PROPERTY]activity 0.02[/PROPERTY]\n", + "GT: -1.14 Gen: -1.61 diff: 0.47 [START_SMILES]NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-][END_SMILES][PROPERTY]activity -1.61[/PROPERTY]\n", + "GT: -2.24 Gen: -2.06 diff: 0.18 [START_SMILES]CS(=O)(=O)c1ccc(c(Cl)c1)c2cc(ccc2OCC(=O)O)C(F)(F)F[END_SMILES][PROPERTY]activity -2.06[/PROPERTY]\n", + "GT: -0.93 Gen: -0.27 diff: 0.66 [START_SMILES]Cn1cc(CN2CCc3cc4nc(N)sc4cc3CC2)cn1[END_SMILES][PROPERTY]activity -0.27[/PROPERTY]\n", + "GT: -0.57 Gen: -1.33 diff: 0.76 [START_SMILES]Cc1ccsc1C(=CCCN2CCC[C@H](C2)C(=O)O)c3sccc3C[END_SMILES][PROPERTY]activity -1.33[/PROPERTY]\n", + "GT: -0.05 Gen: -0.24 diff: 0.19 [START_SMILES]CN1C[C@H](c2ccccc2)c3cccc(N)c3C1[END_SMILES][PROPERTY]activity -0.24[/PROPERTY]\n", + "GT: -1.38 Gen: -1.09 diff: 0.29 [START_SMILES]CC(N1NC(=O)c2nc3cc(Cl)ccc3c(O)c2C1=O)c4ccccn4[END_SMILES][PROPERTY]activity -1.09[/PROPERTY]\n", + "GT: 0.38 Gen: 0.32 diff: 0.06 [START_SMILES]CNc1c(Cl)cnc2[nH]c(nc12)c3ccc(OCCN4CCOCC4)cc3[END_SMILES][PROPERTY]activity 0.32[/PROPERTY]\n", + "GT: -0.75 Gen: -0.99 diff: 0.24 [START_SMILES]OC(=O)COCCN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3[END_SMILES][PROPERTY]activity -0.99[/PROPERTY]\n", + "GT: -1.38 Gen: -1.38 diff: 0.0 [START_SMILES]Nc1nccc(n1)c2cc3C(=O)NC[C@@H](CCF)c3[nH]2[END_SMILES][PROPERTY]activity -1.38[/PROPERTY]\n", + "GT: -0.45 Gen: -0.78 diff: 0.33 [START_SMILES]COc1cc(O)c2C(=O)O[C@@H](C)C\\C=C/C(=O)[C@@H](O)[C@@H](O)C\\C=C\\c2c1[END_SMILES][PROPERTY]activity -0.78[/PROPERTY]\n", + "GT: 0.93 Gen: 0.19 diff: 0.74 [START_SMILES]CC(C)N1CCC[C@H](CN2C(=Nc3ccc(cc3C2=O)c4ccc(Cl)cc4)C)C1[END_SMILES][PROPERTY]activity 0.19[/PROPERTY]\n", + "GT: -0.14 Gen: -0.23 diff: 0.09 [START_SMILES]CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H]2CCCN(Cc3ccccc3)C2[END_SMILES][PROPERTY]activity -0.23[/PROPERTY]\n", + "GT: 0.98 Gen: 0.77 diff: 0.21 [START_SMILES]CN1CCC(CC1)n2cc(cn2)c3cnc(N)c(c3)c4oc5cc(F)ccc5n4[END_SMILES][PROPERTY]activity 0.77[/PROPERTY]\n", + "GT: 0.76 Gen: 1.03 diff: 0.27 [START_SMILES]CO[C@@H]1C[C@@H](N(Cc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)C1)C(=O)N[END_SMILES][PROPERTY]activity 1.03[/PROPERTY]\n", + "GT: 1.27 Gen: 1.62 diff: 0.35 [START_SMILES]Oc1ccc(cc1)c2csc(n2)c3ccc(O)cc3[END_SMILES][PROPERTY]activity 1.62[/PROPERTY]\n", + "GT: -2.43 Gen: -2.57 diff: 0.14 [START_SMILES]CS(=O)(=O)c1ccc(c(Cl)c1)c2cc(Cl)ccc2OCC(=O)O[END_SMILES][PROPERTY]activity -2.57[/PROPERTY]\n", + "GT: 1.03 Gen: -0.15 diff: 1.18 [START_SMILES]Cc1cc(n[nH]1)c2ccc(Cl)c(c2)C(=O)NCC3(O)CCCCCC3[END_SMILES][PROPERTY]activity -0.15[/PROPERTY]\n", + "GT: 0.1 Gen: 0.45 diff: 0.35 [START_SMILES]CC1=CC2=NNC(=O)N2c3cc(ccc13)c4ccncc4[END_SMILES][PROPERTY]activity 0.45[/PROPERTY]\n", + "GT: -1.57 Gen: -0.74 diff: 0.83 [START_SMILES]C[C@H](NC(=O)c1c(C)nn(c1NS(=O)(=O)c2cccc(CN3CCOCC3)c2)c4ccccc4)C(C)(C)C[END_SMILES][PROPERTY]activity -0.74[/PROPERTY]\n", + "GT: 1.24 Gen: 0.93 diff: 0.31 [START_SMILES]COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC[END_SMILES][PROPERTY]activity 0.93[/PROPERTY]\n", + "GT: 0.69 Gen: 0.93 diff: 0.24 [START_SMILES]N#Cc1ccc(Nc2nccc(NC3CC3)n2)cc1[END_SMILES][PROPERTY]activity 0.93[/PROPERTY]\n", + "GT: 0.87 Gen: 0.92 diff: 0.05 [START_SMILES]CSc1nc2cc(Cl)ccc2[nH]1[END_SMILES][PROPERTY]activity 0.92[/PROPERTY]\n", + "GT: 0.39 Gen: 0.19 diff: 0.2 [START_SMILES]CC(C)(c1cc(nc(n1)c2cccc3[nH]ccc23)N4CCOCC4)S(=O)(=O)C[END_SMILES][PROPERTY]activity 0.19[/PROPERTY]\n", + "GT: -0.75 Gen: -0.49 diff: 0.26 [START_SMILES]Cc1ccc2c(c1)c(c(C)n2CC(=O)O)c3ccnc4c(Cl)cccc34[END_SMILES][PROPERTY]activity -0.49[/PROPERTY]\n", + "GT: -0.15 Gen: -0.23 diff: 0.08 [START_SMILES]NC(=O)c1cccc(O[C@@H]2C[C@H]3CC[C@@H](C2)N3CCc4ccccc4)c1[END_SMILES][PROPERTY]activity -0.23[/PROPERTY]\n", + "GT: -0.55 Gen: -0.89 diff: 0.34 [START_SMILES]Clc1ccc2C(=O)C3=C(Nc2c1)C(=O)NN(Cc4cccs4)C3=O[END_SMILES][PROPERTY]activity -0.89[/PROPERTY]\n", + "GT: -1.44 Gen: -1.66 diff: 0.22 [START_SMILES]CC[C@H]1CN(Cc2cc(Cl)ccc2OCC(=O)O)CCN1S(=O)(=O)c3ccccc3[END_SMILES][PROPERTY]activity -1.66[/PROPERTY]\n", + "GT: 0.84 Gen: 0.93 diff: 0.09 [START_SMILES]CC1=CC2=NNC(=O)N2c3cc(ccc13)c4ccccc4CO[END_SMILES][PROPERTY]activity 0.93[/PROPERTY]\n", + "GT: -0.98 Gen: 0.35 diff: 1.33 [START_SMILES]Fc1ccc(CC2=NNC(=O)c3ccccc23)cc1N4C(=O)CCC4=O[END_SMILES][PROPERTY]activity 0.35[/PROPERTY]\n", + "GT: -0.55 Gen: -0.43 diff: 0.12 [START_SMILES]C[C@H]1CN(Cc2cc(Cl)ccc2CCC(=O)O)CCN1C(=O)Cc3ccccc3[END_SMILES][PROPERTY]activity -0.43[/PROPERTY]\n", + "GT: 0.84 Gen: 0.36 diff: 0.48 [START_SMILES]CC(C)CN1C(=O)N(C)C(=O)c2c1sc(Cc3ccccc3C(F)(F)F)c2C(=O)N4CC(C)(O)C4[END_SMILES][PROPERTY]activity 0.36[/PROPERTY]\n", + "GT: 0.52 Gen: 0.63 diff: 0.11 [START_SMILES]COc1cc(ccc1Nc2ncc(C#N)c(n2)c3cnc4ccccn34)N5CCN(CC5)C(=O)C[END_SMILES][PROPERTY]activity 0.63[/PROPERTY]\n", + "GT: 1.12 Gen: 0.85 diff: 0.27 [START_SMILES]COc1ccc(OC)c(CNC(=O)c2cccnc2Oc3ccccc3)c1[END_SMILES][PROPERTY]activity 0.85[/PROPERTY]\n", + "GT: 0.6 Gen: 0.93 diff: 0.33 [START_SMILES]CN(C(=O)C)c1ccc2ccn(c3cc(NC4CC4)n5ncc(C#N)c5n3)c2c1[END_SMILES][PROPERTY]activity 0.93[/PROPERTY]\n", + "GT: 0.27 Gen: 0.52 diff: 0.25 [START_SMILES]COC(=O)N1CCOc2cc(COc3ccccc3)cnc12[END_SMILES][PROPERTY]activity 0.52[/PROPERTY]\n", + "GT: 0.29 Gen: 0.44 diff: 0.15 [START_SMILES]CC(C)Cn1cnc2c(N)nc3ccccc3c12[END_SMILES][PROPERTY]activity 0.44[/PROPERTY]\n", + "GT: 1.77 Gen: 0.28 diff: 1.49 [START_SMILES]CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc3cncs3)Cc4ccccc4[END_SMILES][PROPERTY]activity 0.28[/PROPERTY]\n", + "GT: 0.76 Gen: 0.02 diff: 0.74 [START_SMILES]OCc1ccc2ccn(c3cc(NC4CC4)n5ncc(C#N)c5n3)c2c1[END_SMILES][PROPERTY]activity 0.02[/PROPERTY]\n", + "GT: 0.05 Gen: -0.08 diff: 0.13 [START_SMILES]Cc1cc(ccc1O[C@H]2C[C@H]3CC[C@@H](C2)N3Cc4ccccc4)C(=O)N[END_SMILES][PROPERTY]activity -0.08[/PROPERTY]\n", + "GT: -2.23 Gen: -1.68 diff: 0.55 [START_SMILES]CS(=O)(=O)c1ccc2OCC(=O)N(CCN3CCC(CC3)NCc4ccc5OCC(=O)Nc5n4)c2c1[END_SMILES][PROPERTY]activity -1.68[/PROPERTY]\n", + "GT: 0.05 Gen: -0.28 diff: 0.33 [START_SMILES]Cc1c(F)ccc2c1c(Sc3ccc(Cl)cc3)c(C)n2CC(=O)O[END_SMILES][PROPERTY]activity -0.28[/PROPERTY]\n", + "GT: -1.93 Gen: -1.46 diff: 0.47 [START_SMILES]CC(N)C(=O)Nc1c(C)cccc1C[END_SMILES][PROPERTY]activity -1.46[/PROPERTY]\n", + "GT: 1.0 Gen: 0.38 diff: 0.62 [START_SMILES]Clc1ccc(N2CCN(CC2)C(=O)COCc3ccncc3)c(Cl)c1[END_SMILES][PROPERTY]activity 0.38[/PROPERTY]\n", + "GT: 1.68 Gen: 0.52 diff: 1.16 [START_SMILES]FC(F)(F)c1cc(COCC(N2CCNCC2)c3cccc(Cl)c3)cc(c1)C(F)(F)F[END_SMILES][PROPERTY]activity 0.52[/PROPERTY]\n", + "GT: 1.6 Gen: 0.54 diff: 1.06 [START_SMILES]Cc1ccc(cc1)c2nn(c3ncnc(N)c23)C(C)(C)C[END_SMILES][PROPERTY]activity 0.54[/PROPERTY]\n", + "GT: -0.56 Gen: -0.04 diff: 0.52 [START_SMILES]Clc1ccc(OC2CCN(CC2)C3CCN(CC3)C(=O)NS(=O)(=O)c4ccccc4)cc1Cl[END_SMILES][PROPERTY]activity -0.04[/PROPERTY]\n", + "GT: 0.27 Gen: 0.19 diff: 0.08 [START_SMILES]Cc1cc(nc(n1)n2ccnc2)N3CCC[C@@H]3C(=O)NCCc4ccc5OCOc5c4[END_SMILES][PROPERTY]activity 0.19[/PROPERTY]\n", + "GT: -0.94 Gen: -0.61 diff: 0.33 [START_SMILES]CCN(C1CCN(CC[C@H](C2CCN(CC2)S(=O)(=O)C)c3ccccc3)CC1)C(=O)Cc4ccc(cc4)S(=O)(=O)C[END_SMILES][PROPERTY]activity -0.61[/PROPERTY]\n", + "GT: -1.23 Gen: -0.81 diff: 0.42 [START_SMILES]CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(F)c2)n3ccnc3[END_SMILES][PROPERTY]activity -0.81[/PROPERTY]\n", + "GT: 1.1 Gen: 0.52 diff: 0.58 [START_SMILES]CC(C)S(=O)(=O)NCC(C)c1ccc(cc1)c2ccc(cc2)C#N[END_SMILES][PROPERTY]activity 0.52[/PROPERTY]\n", + "GT: 0.64 Gen: 0.44 diff: 0.2 [START_SMILES]COCCC(NC(=O)C1(N)CCN(CC1)c2ncnc3[nH]ccc23)c4ccc(Cl)cc4[END_SMILES][PROPERTY]activity 0.44[/PROPERTY]\n", + "GT: 0.4 Gen: 0.81 diff: 0.41 [START_SMILES]CC[C@H](NC(=O)c1c([S+](C)[O-])c(nc2ccccc12)c3ccsc3)c4ccccc4[END_SMILES][PROPERTY]activity 0.81[/PROPERTY]\n", + "GT: 0.53 Gen: 0.3 diff: 0.23 [START_SMILES]Cc1ccc(cc1NC(=O)c2ccc(OCc3ccccn3)cc2)c4c[nH]cn4[END_SMILES][PROPERTY]activity 0.3[/PROPERTY]\n", + "GT: -0.98 Gen: -0.69 diff: 0.29 [START_SMILES]CCN1C(=O)NC(C1=O)c2ccccc2[END_SMILES][PROPERTY]activity -0.69[/PROPERTY]\n", + "GT: -0.64 Gen: -0.06 diff: 0.58 [START_SMILES]COc1ccc(NC(=O)CCc2c(C)nc3nc(C)nn3c2C)cc1[END_SMILES][PROPERTY]activity -0.06[/PROPERTY]\n", + "GT: -0.84 Gen: -1.53 diff: 0.69 [START_SMILES]CCO[C@@H]1OC(=O)C[C@@H]1NC(=O)[C@@H]2CCCN3N2C(=O)[C@H](CCC3=O)NC(=O)c4nccc5ccccc45[END_SMILES][PROPERTY]activity -1.53[/PROPERTY]\n", + "GT: -2.99 Gen: -2.82 diff: 0.17 [START_SMILES]Nc1nc(O)c2ncn(COCCO)c2n1[END_SMILES][PROPERTY]activity -2.82[/PROPERTY]\n", + "GT: -0.58 Gen: -0.51 diff: 0.07 [START_SMILES]CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c3ccc(F)cc3[END_SMILES][PROPERTY]activity -0.51[/PROPERTY]\n", + "GT: -0.59 Gen: 0.19 diff: 0.78 [START_SMILES]C[C@H](NC(=O)c1cccc2CCN(Cc3ccc(Cl)cc3)c12)c4ccc(cc4)C(=O)O[END_SMILES][PROPERTY]activity 0.19[/PROPERTY]\n", + "GT: 1.76 Gen: 0.79 diff: 0.97 [START_SMILES]FC(F)(F)c1ccc(cc1)S(=O)(=O)NCC(N2CCCCCC2)c3ccccc3[END_SMILES][PROPERTY]activity 0.79[/PROPERTY]\n", + "GT: -0.3 Gen: -0.04 diff: 0.26 [START_SMILES]Clc1ccc(OC2CCN(CC2)C3CCN(CC3)C(=O)NS(=O)(=O)c4cccc(c4)C#N)cc1Cl[END_SMILES][PROPERTY]activity -0.04[/PROPERTY]\n", + "GT: -1.1 Gen: -1.28 diff: 0.18 [START_SMILES]CS(=O)(=O)Cc1cc(nc(n1)c2ccc(NS(=O)(=O)C)cc2)N3CCOCC3[END_SMILES][PROPERTY]activity -1.28[/PROPERTY]\n", + "GT: 0.69 Gen: 1.18 diff: 0.49 [START_SMILES]CC(C)(NC(=O)c1sccc1Oc2ccc(F)cc2[N+](=O)[O-])C#C[END_SMILES][PROPERTY]activity 1.18[/PROPERTY]\n", + "GT: 0.65 Gen: 0.89 diff: 0.24 [START_SMILES]Cc1cc(NC(=O)Nc2ccc(Cl)cc2)n(C)n1[END_SMILES][PROPERTY]activity 0.89[/PROPERTY]\n", + "GT: 0.84 Gen: 0.86 diff: 0.02 [START_SMILES]COc1cc(Nc2cc(Oc3cccnc3C)ccn2)cc(OC)c1OC[END_SMILES][PROPERTY]activity 0.86[/PROPERTY]\n", + "GT: 0.56 Gen: -0.23 diff: 0.79 [START_SMILES]CN(C1CCN(Cc2nc3cc(F)ccc3s2)CC1)C(=O)Cc4ccc(cc4)n5cnnn5[END_SMILES][PROPERTY]activity -0.23[/PROPERTY]\n", + "GT: 1.68 Gen: 0.87 diff: 0.81 [START_SMILES]CC(C(=O)Nc1ccc(Cl)cc1)c2ncc(cc2Cl)C(F)(F)F[END_SMILES][PROPERTY]activity 0.87[/PROPERTY]\n", + "GT: -1.24 Gen: -1.28 diff: 0.04 [START_SMILES]CS(=O)(=O)c1ccc(cc1)c2cc(C(=O)N[C@H]3CCCNC3)c(NC(=O)N)s2[END_SMILES][PROPERTY]activity -1.28[/PROPERTY]\n", + "GT: 0.75 Gen: 0.83 diff: 0.08 [START_SMILES]COc1cccc(c1)C(=O)Nc2ccc(C)c(c2)N3C=Nc4ccc(cc4C3=O)N5CCN(C)CC5[END_SMILES][PROPERTY]activity 0.83[/PROPERTY]\n", + "GT: -1.29 Gen: -1.3 diff: 0.01 [START_SMILES]OCC[C@]1(CCCNC1)c2ccc(Cl)c(Cl)c2[END_SMILES][PROPERTY]activity -1.3[/PROPERTY]\n", + "GT: 1.5 Gen: -0.17 diff: 1.67 [START_SMILES]Nc1nc2ccc(Cl)cc2c3nc(nn13)c4occc4[END_SMILES][PROPERTY]activity -0.17[/PROPERTY]\n", + "GT: 1.18 Gen: 0.77 diff: 0.41 [START_SMILES]COc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(C)c3)c2cc1OC[END_SMILES][PROPERTY]activity 0.77[/PROPERTY]\n", + "GT: 0.52 Gen: 0.52 diff: 0.0 [START_SMILES]COCCNc1nc(nc(NCC(C)C)c1N)C#N[END_SMILES][PROPERTY]activity 0.52[/PROPERTY]\n", + "GT: 1.13 Gen: 0.44 diff: 0.69 [START_SMILES]Nc1c(NC2CC3CCC2C3)nc(nc1N4CCOCC4)C#N[END_SMILES][PROPERTY]activity 0.44[/PROPERTY]\n", + "GT: 1.1 Gen: 0.52 diff: 0.58 [START_SMILES]COc1ccc(cc1)C2=COc3cc(O)cc(O)c3C2=O[END_SMILES][PROPERTY]activity 0.52[/PROPERTY]\n", + "GT: 0.79 Gen: 0.38 diff: 0.41 [START_SMILES]CN(C)S(=O)(=O)c1ccc2C(=CNC(=O)c2c1)C(=O)NC[C@@H](O)CN3CCC(CC3)Oc4ccc(Cl)c(Cl)c4[END_SMILES][PROPERTY]activity 0.38[/PROPERTY]\n", + "GT: 0.41 Gen: -0.64 diff: 1.05 [START_SMILES]COC(=O)CCC(=O)Nc1ccc2c(c1)C(=O)C(=O)c3cc(NC(=O)CCC(=O)OC)ccc23[END_SMILES][PROPERTY]activity -0.64[/PROPERTY]\n", + "GT: 0.58 Gen: 0.59 diff: 0.01 [START_SMILES]CC(C)C(NC(=O)CN1C(=O)C(=CN=C1C2CCCCC2)NC(=O)OCc3ccccc3)C(=O)C(F)(F)F[END_SMILES][PROPERTY]activity 0.59[/PROPERTY]\n", + "GT: 1.03 Gen: 1.43 diff: 0.4 [START_SMILES]COc1cc(Nc2nccc(Oc3cnc4ccccc4c3)n2)cc(OC)c1OC[END_SMILES][PROPERTY]activity 1.43[/PROPERTY]\n", + "GT: -0.15 Gen: -0.97 diff: 0.82 [START_SMILES]O=C(OCCN1CCCCC1)c2c[nH]c3ccccc23[END_SMILES][PROPERTY]activity -0.97[/PROPERTY]\n", + "GT: 1.27 Gen: 1.27 diff: 0.0 [START_SMILES]CN(c1ccnc(Nc2cc(OC3CCOCC3)cc(c2)N4CCOCC4)n1)c5cc(CO)ccc5C[END_SMILES][PROPERTY]activity 1.27[/PROPERTY]\n", + "GT: -1.41 Gen: -1.31 diff: 0.1 [START_SMILES]CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1[END_SMILES][PROPERTY]activity -1.31[/PROPERTY]\n", + "GT: 0.27 Gen: 0.57 diff: 0.3 [START_SMILES]CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4ncoc34)n2)c1[END_SMILES][PROPERTY]activity 0.57[/PROPERTY]\n", + "GT: 0.44 Gen: 0.77 diff: 0.33 [START_SMILES]CCN1C(=O)C=Cc2cnc(Nc3ccc(OC)c(OC)c3)nc12[END_SMILES][PROPERTY]activity 0.77[/PROPERTY]\n", + "GT: -0.52 Gen: -0.55 diff: 0.03 [START_SMILES]COc1ccc(cc1)c2nc3c(OCC4CCNCC4)c(Br)cnc3[nH]2[END_SMILES][PROPERTY]activity -0.55[/PROPERTY]\n", + "GT: -0.65 Gen: -0.56 diff: 0.09 [START_SMILES]COc1ccc(CN(CCN(C)C)c2ccccn2)cc1[END_SMILES][PROPERTY]activity -0.56[/PROPERTY]\n", + "GT: 1.56 Gen: 1.1 diff: 0.46 [START_SMILES]Cc1ccc(s1)C(NC(=O)c2ccccc2O)C(=O)Nc3c(C)cccc3C[END_SMILES][PROPERTY]activity 1.1[/PROPERTY]\n", + "GT: -2.87 Gen: -0.98 diff: 1.89 [START_SMILES]OC(=O)CCC(=O)N1CCC(CC1)c2onc(n2)c3cccs3[END_SMILES][PROPERTY]activity -0.98[/PROPERTY]\n", + "GT: 1.18 Gen: 1.21 diff: 0.03 [START_SMILES]COc1ccc(Oc2ncccc2C(=O)NCc3ccccc3Cl)cc1[END_SMILES][PROPERTY]activity 1.21[/PROPERTY]\n", + "GT: 1.3 Gen: 0.79 diff: 0.51 [START_SMILES]COc1ccccc1CN2C(C(=O)NC3CCC(C)CC3)c4ccccc4C2=O[END_SMILES][PROPERTY]activity 0.79[/PROPERTY]\n", + "GT: 1.1 Gen: 0.44 diff: 0.66 [START_SMILES]CCc1ccccc1c2ccc(cc2)c3nc4ccncc4c(O)c3C#N[END_SMILES][PROPERTY]activity 0.44[/PROPERTY]\n", + "GT: 0.64 Gen: 0.43 diff: 0.21 [START_SMILES]Cn1cnc(c2ccccc2)c1c3cc4c(N)ncnc4s3[END_SMILES][PROPERTY]activity 0.43[/PROPERTY]\n", + "GT: -0.07 Gen: 0.42 diff: 0.49 [START_SMILES]COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c3cccnc13[END_SMILES][PROPERTY]activity 0.42[/PROPERTY]\n", + "GT: -1.74 Gen: -1.06 diff: 0.68 [START_SMILES]OC(=O)[C@H](Cc1ccc(cc1)N2CCN(CC2)c3ccccc3)NC(=O)c4c(Cl)cccc4Cl[END_SMILES][PROPERTY]activity -1.06[/PROPERTY]\n", + "GT: -0.84 Gen: -0.53 diff: 0.31 [START_SMILES]NC(=N)c1cc2c(OCc3ccccc3)cccc2s1[END_SMILES][PROPERTY]activity -0.53[/PROPERTY]\n", + "GT: 0.19 Gen: 0.35 diff: 0.16 [START_SMILES]CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3ccc4c(N)ncnc34[END_SMILES][PROPERTY]activity 0.35[/PROPERTY]\n", + "GT: 1.59 Gen: 1.5 diff: 0.09 [START_SMILES]CCN(CC)CCOc1ccc(cc1)\\C(=C(\\Cl)/c2ccccc2)\\c3ccccc3[END_SMILES][PROPERTY]activity 1.5[/PROPERTY]\n", + "GT: -0.17 Gen: -1.14 diff: 0.97 [START_SMILES]CCC(C)(CC)C[C@@H](N1CCC[C@@H](C1)N2C=C(C)C(=O)NC2=O)c3ccc(C(=O)O)c(Oc4cccc(Br)c4)c3[END_SMILES][PROPERTY]activity -1.14[/PROPERTY]\n", + "GT: 0.93 Gen: -0.13 diff: 1.06 [START_SMILES]CC(C)n1c(C)ncc1c2nc(Nc3ccc(cc3)N4CC[C@H](C4)NC(=O)C)ncc2F[END_SMILES][PROPERTY]activity -0.13[/PROPERTY]\n", + "GT: 0.19 Gen: 0.85 diff: 0.66 [START_SMILES]Fc1ccccc1Nc2oc(nn2)C(=O)Nc3ccc(cn3)N4CCOCC4[END_SMILES][PROPERTY]activity 0.85[/PROPERTY]\n", + "GT: -0.05 Gen: 0.44 diff: 0.49 [START_SMILES]Nc1nc(nc(N)c1Cc2ccccc2F)c3ccccn3[END_SMILES][PROPERTY]activity 0.44[/PROPERTY]\n", + "GT: -1.28 Gen: 0.91 diff: 2.19 [START_SMILES]CC1(C)CCC(=C(CN2CCN(CC2)c3ccc(cc3)C(=O)NS(=O)(=O)c4ccc(N[C@H](CCN5CCOCC5)CSc6ccccc6)c(c4)S(=O)(=O)C(F)(F)F)C1)c7ccc(Cl)cc7[END_SMILES][PROPERTY]activity 0.91[/PROPERTY]\n", + "GT: -2.36 Gen: -1.38 diff: 0.98 [START_SMILES]CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(CO)c3ccccc3[END_SMILES][PROPERTY]activity -1.38[/PROPERTY]\n", + "GT: 0.02 Gen: -0.06 diff: 0.08 [START_SMILES]CN(C)CC(C)(C)COc1nccc(Nc2cc(NC(=O)c3ccnc(c3)N4CCOCC4)ccc2C)n1[END_SMILES][PROPERTY]activity -0.06[/PROPERTY]\n", + "GT: 0.87 Gen: 0.34 diff: 0.53 [START_SMILES]CCOC(=O)c1ccc(OCCC2CN(C2)c3ccc(C)nn3)cc1[END_SMILES][PROPERTY]activity 0.34[/PROPERTY]\n", + "GT: 0.24 Gen: 0.86 diff: 0.62 [START_SMILES]Cc1ccc(cc1NC(=O)c2ccc(OCc3ccccn3)cc2)c4ccc(N)nn4[END_SMILES][PROPERTY]activity 0.86[/PROPERTY]\n", + "GT: -0.65 Gen: -0.95 diff: 0.3 [START_SMILES]CCCSc1c(cnn1[C@@H]2CC[C@@H](CC2)C(=O)O)C(=O)NC3CCCCC3[END_SMILES][PROPERTY]activity -0.95[/PROPERTY]\n", + "GT: 0.13 Gen: -0.41 diff: 0.54 [START_SMILES]Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl[END_SMILES][PROPERTY]activity -0.41[/PROPERTY]\n", + "GT: -1.71 Gen: -1.34 diff: 0.37 [START_SMILES]O[C@@H](CNCCSCCCNCCc1ccccc1)c2ccc(O)c3NC(=O)Sc23[END_SMILES][PROPERTY]activity -1.34[/PROPERTY]\n", + "GT: 0.02 Gen: 0.35 diff: 0.33 [START_SMILES]COc1ccc(cn1)C2=Cc3c(C)nc(N)nc3N([C@@H]4CC[C@H](CC4)OCCO)C2=O[END_SMILES][PROPERTY]activity 0.35[/PROPERTY]\n", + "GT: 1.06 Gen: 0.39 diff: 0.67 [START_SMILES]Clc1ccc2N(C3CCN(CCCN4C(=O)Nc5ccccc45)CC3)C(=O)Nc2c1[END_SMILES][PROPERTY]activity 0.39[/PROPERTY]\n", + "GT: 0.15 Gen: 0.72 diff: 0.57 [START_SMILES]COc1cc(CNc2nc3ccccc3[nH]2)cc(OC)c1OC[END_SMILES][PROPERTY]activity 0.72[/PROPERTY]\n", + "GT: 0.52 Gen: -0.23 diff: 0.75 [START_SMILES]CC(C)C1NCCc2c1sc3ccccc23[END_SMILES][PROPERTY]activity -0.23[/PROPERTY]\n", + "GT: 0.59 Gen: 0.45 diff: 0.14 [START_SMILES]CC(C)[C@H](N(CCCN)C(=O)c1ccc(C)cc1)C2=Nc3cc(Cl)ccc3C(=O)N2Cc4ccccc4[END_SMILES][PROPERTY]activity 0.45[/PROPERTY]\n", + "GT: 1.72 Gen: 1.77 diff: 0.05 [START_SMILES]CSCCC(NC(=O)c1ccccc1)c2nc3ccccc3n2Cc4ccc(cc4)C#N[END_SMILES][PROPERTY]activity 1.77[/PROPERTY]\n", + "GT: 1.33 Gen: 0.39 diff: 0.94 [START_SMILES]CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(N(C)C)c2ccccc2[END_SMILES][PROPERTY]activity 0.39[/PROPERTY]\n", + "GT: 0.69 Gen: 0.55 diff: 0.14 [START_SMILES]Cc1ccc(C[C@H](N2CCC(CN3CCC(CC3)Oc4ccc(Cl)c(Cl)c4)CC2)C(=O)O)cc1[END_SMILES][PROPERTY]activity 0.55[/PROPERTY]\n", + "GT: -0.48 Gen: 0.24 diff: 0.72 [START_SMILES]Cc1c(O[C@H]2C[C@H]3CC[C@@H](C2)N3Cc4ccccc4)cccc1C(=O)N[END_SMILES][PROPERTY]activity 0.24[/PROPERTY]\n", + "GT: 1.27 Gen: 0.93 diff: 0.34 [START_SMILES]Oc1cccc(c1)c2nc3ccc(O)cc3s2[END_SMILES][PROPERTY]activity 0.93[/PROPERTY]\n", + "GT: -0.81 Gen: -0.38 diff: 0.43 [START_SMILES]CN(C)CC(O)COc1ccc(Nc2nccc(Nc3ccccc3C#N)n2)cc1[END_SMILES][PROPERTY]activity -0.38[/PROPERTY]\n", + "GT: -0.59 Gen: 0.35 diff: 0.94 [START_SMILES]CN(C)CCOC(c1ccccc1)c2ccccc2C[END_SMILES][PROPERTY]activity 0.35[/PROPERTY]\n", + "GT: 1.35 Gen: 0.43 diff: 0.92 [START_SMILES]CN1C(=O)C=C(CCc2cccc(c2)c3ccccc3)N=C1N[END_SMILES][PROPERTY]activity 0.43[/PROPERTY]\n", + "GT: -0.71 Gen: -0.3 diff: 0.41 [START_SMILES]NC(=O)Nc1cc(sc1C(=O)N[C@H]2CCCNC2)c3cccc(F)c3F[END_SMILES][PROPERTY]activity -0.3[/PROPERTY]\n", + "GT: 1.03 Gen: 1.34 diff: 0.31 [START_SMILES]Oc1oc(c2ccccc2)c(n1)c3ccccc3[END_SMILES][PROPERTY]activity 1.34[/PROPERTY]\n", + "GT: -1.76 Gen: -1.71 diff: 0.05 [START_SMILES]OCC[C@]1(CCCNC1)c2oc3ccccc3c2[END_SMILES][PROPERTY]activity -1.71[/PROPERTY]\n", + "GT: 0.6 Gen: 0.02 diff: 0.58 [START_SMILES]Nc1ccc2c3ccccc3C(=O)c2c1[END_SMILES][PROPERTY]activity 0.02[/PROPERTY]\n", + "GT: 1.68 Gen: 1.68 diff: 0.0 [START_SMILES]Cc1ccc2NC(=O)OC3(CCN(CCc4nc(oc4C)c5ccccc5)CC3)c2c1[END_SMILES][PROPERTY]activity 1.68[/PROPERTY]\n", + "GT: -2.19 Gen: -1.18 diff: 1.01 [START_SMILES]CC[C@H](C)[C@H](N)C1=N[C@@H](CS1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]2CCCCNC(=O)[C@H](CC(=O)N)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@@H](NC(=O)[C@@H](CCCN)NC2=O)[C@@H](C)CC[END_SMILES][PROPERTY]activity -1.18[/PROPERTY]\n", + "GT: 1.33 Gen: 1.19 diff: 0.14 [START_SMILES]CCc1c(C)nc(SCC(=O)Nc2nc(cs2)c3ccc(OC)cc3)nc1O[END_SMILES][PROPERTY]activity 1.19[/PROPERTY]\n", + "GT: 0.63 Gen: 0.03 diff: 0.6 [START_SMILES]CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O[END_SMILES][PROPERTY]activity 0.03[/PROPERTY]\n", + "GT: 0.85 Gen: 0.93 diff: 0.08 [START_SMILES]Cc1nc(nc(N2CCCC2)c1Cl)c3ccccn3[END_SMILES][PROPERTY]activity 0.93[/PROPERTY]\n", + "GT: 0.24 Gen: -0.48 diff: 0.72 [START_SMILES]Cc1ccc(Oc2ccnc(Nc3ccc(cc3)S(=O)(=O)N)c2)c(C)n1[END_SMILES][PROPERTY]activity -0.48[/PROPERTY]\n", + "GT: 0.56 Gen: 1.26 diff: 0.7 [START_SMILES]Cc1ccccc1Nc2ncnc3ccccc23[END_SMILES][PROPERTY]activity 1.26[/PROPERTY]\n", + "GT: -0.09 Gen: -0.07 diff: 0.02 [START_SMILES]O\\N=C\\1/C(=O)N(Cc2ccccc2[N+](=O)[O-])c3ccccc13[END_SMILES][PROPERTY]activity -0.07[/PROPERTY]\n", + "GT: 0.44 Gen: 1.08 diff: 0.64 [START_SMILES]Cc1nc2ccccn2c1c3ccnc(Nc4cccc(Cl)c4)n3[END_SMILES][PROPERTY]activity 1.08[/PROPERTY]\n", + "GT: -1.65 Gen: -1.52 diff: 0.13 [START_SMILES]Cn1cnc(c1Sc2ncnc3nc[nH]c23)[N+](=O)[O-][END_SMILES][PROPERTY]activity -1.52[/PROPERTY]\n", + "GT: -2.46 Gen: -2.57 diff: 0.11 [START_SMILES]CCS(=O)(=O)c1ccc(cc1)c2cc(Cl)ccc2OCC(=O)O[END_SMILES][PROPERTY]activity -2.57[/PROPERTY]\n", + "GT: -1.14 Gen: -0.51 diff: 0.63 [START_SMILES]CCC1(CCCCN(C)C1)c2cccc(O)c2[END_SMILES][PROPERTY]activity -0.51[/PROPERTY]\n", + "GT: -1.19 Gen: -1.56 diff: 0.37 [START_SMILES]CC1CCc2cc(F)cc3C(=O)C(=CN1c23)C(=O)O[END_SMILES][PROPERTY]activity -1.56[/PROPERTY]\n", + "GT: 0.27 Gen: -0.56 diff: 0.83 [START_SMILES]CC(C)c1ccc(NC(=O)NCCCSC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc4c(N)ncnc34)cc1[END_SMILES][PROPERTY]activity -0.56[/PROPERTY]\n", + "GT: -0.38 Gen: -0.56 diff: 0.18 [START_SMILES]OC(=O)c1ccc(cc1)n2ncc(C(=O)NC3C4CC5CC(CC3C5)C4)c2C6CCCC6[END_SMILES][PROPERTY]activity -0.56[/PROPERTY]\n", + "GT: 1.08 Gen: 0.81 diff: 0.27 [START_SMILES]O[C@H](CNC(=O)C1=CC(=O)Nc2ccccc12)CN3CCC(CC3)Oc4ccc(Cl)c(Cl)c4[END_SMILES][PROPERTY]activity 0.81[/PROPERTY]\n", + "GT: 1.66 Gen: 1.56 diff: 0.1 [START_SMILES]CCCCc1nc2c(N)nc3ccccc3c2n1Cc4ccccc4[END_SMILES][PROPERTY]activity 1.56[/PROPERTY]\n", + "GT: 1.43 Gen: 0.85 diff: 0.58 [START_SMILES]Cc1ccccc1c2c(C(=O)O)n(CCCOc3cccc4ccccc34)c5ccccc25[END_SMILES][PROPERTY]activity 0.85[/PROPERTY]\n", + "GT: 1.92 Gen: 0.93 diff: 0.99 [START_SMILES]CN1C(=O)N(CC2CC2)c3nn(Cc4cn(C)c5ccc(Cl)cc45)c(c6cc(oc6C)S(=O)(=O)C)c3C1=O[END_SMILES][PROPERTY]activity 0.93[/PROPERTY]\n", + "GT: 0.7 Gen: -0.87 diff: 1.57 [START_SMILES]C(C(C1CCCCC1)C2CCCCC2)C3CCCCN3[END_SMILES][PROPERTY]activity -0.87[/PROPERTY]\n" ] } ], "source": [ + "tokenizer = gem_tokenizer\n", "ground_truths, gens, diffs = [],[],[]\n", "invalids = 0\n", "for sample in dataset['test']:\n", " ground_truth = round(sample['activity'], 2)\n", - " prompt = f\"[START_SMILES]{sample['smiles']}[END_SMILES][PROPERTY]activity \"\n", + " prompt = f\"[START_SMILES]{sample['smiles']}[END_SMILES][PROPERTY]activity\"\n", " len_prompt = len(prompt)\n", " prompt = tokenizer(prompt, return_tensors=\"pt\").to(model.device)\n", - " out = model.generate(prompt.input_ids, do_sample=False, max_length=100)\n", + " out = model.generate(prompt.input_ids, do_sample=False, eos_token_id=tokenizer.encode('[/PROPERTY]')[0], max_new_tokens=100)\n", " out = tokenizer.batch_decode(out)[0]\n", " try:\n", " gen = float(out[out.find(\"activity \") + len(\"activity \"):out.find(\"[/PROPERTY]\")])\n", @@ -694,22 +700,24 @@ " gens.append(gen)\n", " diffs.append(diff)\n", " except:\n", + " print('***')\n", + " print(\"GT:\", ground_truth, out)\n", " invalids += 1\n", " pass" ] }, { "cell_type": "code", - "execution_count": 37, + "execution_count": 82, "metadata": {}, "outputs": [ { "data": { "text/plain": [ - "(0.8710235496802885, 3.4645847851442113e-130)" + "(0.8395646785509734, 7.938743359254508e-113)" ] }, - "execution_count": 37, + "execution_count": 82, "metadata": {}, "output_type": "execute_result" } @@ -721,16 +729,16 @@ }, { "cell_type": "code", - "execution_count": 38, + "execution_count": 83, "metadata": {}, "outputs": [ { "data": { "text/plain": [ - "0.5287612780911941" + "0.5838778411049124" ] }, - "execution_count": 38, + "execution_count": 83, "metadata": {}, "output_type": "execute_result" } @@ -741,27 +749,43 @@ }, { "cell_type": "code", - "execution_count": 36, + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [] + }, + { + "cell_type": "code", + "execution_count": 128, "metadata": {}, "outputs": [ { - "data": { - "text/plain": [ - "'CN(C)C(=O)c1ccccc1'" - ] - }, - "execution_count": 36, - "metadata": {}, - "output_type": "execute_result" + "name": "stderr", + "output_type": "stream", + "text": [ + "[22:07:33] SMILES Parse Error: syntax error while parsing: [START_SMILES]Cc1ccc(cc1)C=O[END_SMILES][PROPERTY]activity\n", + "[22:07:33] SMILES Parse Error: Failed parsing SMILES '[START_SMILES]Cc1ccc(cc1)C=O[END_SMILES][PROPERTY]activity' for input: '[START_SMILES]Cc1ccc(cc1)C=O[END_SMILES][PROPERTY]activity'\n" + ] + }, + { + "ename": "ArgumentError", + "evalue": "Python argument types in\n rdkit.Chem.rdmolfiles.MolToSmiles(NoneType)\ndid not match C++ signature:\n MolToSmiles(RDKit::ROMol mol, bool isomericSmiles=True, bool kekuleSmiles=False, int rootedAtAtom=-1, bool canonical=True, bool allBondsExplicit=False, bool allHsExplicit=False, bool doRandom=False)\n MolToSmiles(RDKit::ROMol mol, RDKit::SmilesWriteParams params)", + "output_type": "error", + "traceback": [ + "\u001b[0;31m---------------------------------------------------------------------------\u001b[0m", + "\u001b[0;31mArgumentError\u001b[0m Traceback (most recent call last)", + "Cell \u001b[0;32mIn[128], line 1\u001b[0m\n\u001b[0;32m----> 1\u001b[0m \u001b[43mChem\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mMolToSmiles\u001b[49m\u001b[43m(\u001b[49m\u001b[43mChem\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mMolFromSmiles\u001b[49m\u001b[43m(\u001b[49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[38;5;124;43m[START_SMILES]Cc1ccc(cc1)C=O[END_SMILES][PROPERTY]activity -0.15[/PROPERTY]\u001b[39;49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[43m)\u001b[49m\u001b[43m)\u001b[49m\n", + "\u001b[0;31mArgumentError\u001b[0m: Python argument types in\n rdkit.Chem.rdmolfiles.MolToSmiles(NoneType)\ndid not match C++ signature:\n MolToSmiles(RDKit::ROMol mol, bool isomericSmiles=True, bool kekuleSmiles=False, int rootedAtAtom=-1, bool canonical=True, bool allBondsExplicit=False, bool allHsExplicit=False, bool doRandom=False)\n MolToSmiles(RDKit::ROMol mol, RDKit::SmilesWriteParams params)" + ] } ], "source": [ - "Chem.MolToSmiles(Chem.MolFromSmiles(\"CN(C)C(=O)c1ccccc1\"))" + "Chem.MolToSmiles(Chem.MolFromSmiles(\"[START_SMILES]Cc1ccc(cc1)C=O[END_SMILES][PROPERTY]activity -0.15[/PROPERTY]\"))" ] }, { "cell_type": "code", - "execution_count": 19, + "execution_count": null, "metadata": {}, "outputs": [ { @@ -783,7 +807,7 @@ }, { "cell_type": "code", - "execution_count": 34, + "execution_count": null, "metadata": {}, "outputs": [ { @@ -1264,7 +1288,7 @@ }, { "cell_type": "code", - "execution_count": 35, + "execution_count": null, "metadata": {}, "outputs": [ { @@ -1745,7 +1769,7 @@ }, { "cell_type": "code", - "execution_count": 1, + "execution_count": null, "metadata": {}, "outputs": [ { @@ -1788,7 +1812,7 @@ "name": "python", "nbconvert_exporter": "python", "pygments_lexer": "ipython3", - "version": "3.10.13" + "version": "3.10.14" } }, "nbformat": 4, diff --git a/test_status.yaml b/test_status.yaml index 53f3ff3..b6951b0 100644 --- a/test_status.yaml +++ b/test_status.yaml @@ -1 +1 @@ -210ba73adff95aacc5f6c215dc6218923d85f767: FAIL +60a24fae746ed13b7307df8f5ee85c300a8c0f8f: PASS