diff --git "a/property_prediction-sider.jsonl" "b/property_prediction-sider.jsonl"
new file mode 100644--- /dev/null
+++ "b/property_prediction-sider.jsonl"
@@ -0,0 +1,143 @@
+{"input": "NC1=CC=C(N=NC2=CC=CC=C2)C(N)=N1", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "No", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "No", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "No", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "Yes", "Respiratory, thoracic and mediastinal disorders": "No", "Psychiatric disorders": "No", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "No", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "COC1=CC2=C(C=C1OC)[C@@H](CC1=CC(OC)=C(OC)C(OC)=C1)[N+](C)(CCCOC(=O)CCC=CCCC(=O)OCCC[N+]1(C)CCC3=CC(OC)=C(OC)C=C3[C@H]1CC1=CC(OC)=C(OC)C(OC)=C1)CC2", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "No", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "No", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "No", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CN1CCC(=C2C3=CC=CC=C3C=CC3=CC=CC=C23)CC1", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "No", "Gastrointestinal disorders": "Yes", "Immune system disorders": "No", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CC(C)[N+]1(C)C2CCC1CC(OC(=O)C(CO)C1=CC=CC=C1)C2", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "No", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "Yes", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "Yes", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CC1=NN=C(C(=O)NC(C)(C)C2=NC(C(=O)NCC3=CC=C(F)C=C3)=C([O-])C(=O)N2C)O1;[K+]", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "Yes", "Endocrine disorders": "Yes", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CCC1=C(C)C2=CC3=NC(=CC4=NC(=CC5=C(C(C)O)C(C)=C(C=C1N2)N5)C(C)=C4CCC(=O)O)C(CCC(=O)O)=C3C;[Na+]", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "Yes", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "Yes", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CC(C)C1=NC(N(C)S(C)(=O)=O)=NC(C2=CC=C(F)C=C2)=C1C=C[C@H](O)C[C@@H](O)CC(=O)O", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "No", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "COC1=CC=CC=C1OCC(O)CN1CCN(CC(=O)NC2=C(C)C=CC=C2C)CC1", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "No", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CN(C)C1=CC(NC(=O)CNC(C)(C)C)=C(O)C2=C1CC1CC3C(N(C)C)C(=O)C(C(N)=O)=C(O)C3(O)C(=O)C1=C2O", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "O=C(O)C[C@H](O)C[C@H](O)C=CC1=C(C2CC2)N=C2C=CC=CC2=C1C1=CC=C(F)C=C1", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "No", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "No", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "No", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "COC1=C2OC=CC2=CC2=C1OC(=O)C=C2", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "No", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "No", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CCOC1=CC([C@H](CS(C)(=O)=O)N2C(=O)C3=CC=CC(NC(C)=O)=C3C2=O)=CC=C1OC", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "No", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "No", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "No", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CC1=CNN=C1", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "No", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CC(=O)NCC1CN(C2=CC=C(N3CCOCC3)C(F)=C2)C(=O)O1", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "Yes", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "C[C@]12CC[C@@H]3C4=CC=C(O)C=C4C[C@@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)[C@H]3[C@@H]1CC[C@@H]2O", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "Yes", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "No", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "COC1=CC(C(C)=O)=CC=C1OCCCN1CCC(C2=NOC3=CC(F)=CC=C23)CC1", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "No", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "Yes", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(O)=CC=C4[C@H]3CC[C@@]21C;CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5CC5[C@]4(C)[C@H]3CC[C@@]21C", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "No", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "No", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "No", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "No", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CCC(C)C(N)C1=NC(C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC2CCCCNC(=O)C(CC(N)=O)NC(=O)C(CC(=O)O)NC(=O)C(CC3=CN=CN3)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(C(C)CC)NC(=O)C(CCCN)NC2=O)C(C)CC)CS1", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "No", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "No", "Gastrointestinal disorders": "Yes", "Immune system disorders": "No", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "No", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "No", "Psychiatric disorders": "No", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "No", "Nervous system disorders": "No"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)C4=CC(O)=CC(O)=C4C4=CC3=CC=C4O)[C@H](O[C@H]3C[C@](C)(N)[C@@H](O)[C@H](C)O3)C3=CC=C(OC4=CC2=CC(=C4O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(NCC4=CC=C(C5=CC=C(Cl)C=C5)C=C4)[C@@H](O)[C@H](C)O2)OC2=CC=C(C=C2Cl)[C@H]1O)C(Cl)=C3", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "No", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "No", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "O=C(O)CN1C(=O)[C@@H](N[C@H](CCC2=CC=CC=C2)C(=O)O)CCC2=CC=CC=C21", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)C(N)CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C)C(C)C)C(C)C", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "Yes", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "Cl;NC(N)=NC(=O)C1=NC(Cl)=C(N)N=C1N;NS(=O)(=O)C1=CC2=C(C=C1Cl)NCNS2(=O)=O", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "No", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CC(=O)OC1=CC=CC=C1C(=O)NC1=NC=C([N+](=O)[O-])S1", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "COC1=CC(NS(C)(=O)=O)=CC=C1NC1=C2C=CC=CC2=NC2=CC=CC=C12", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "Yes", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CC(C)NC1=CC=CN=C1N1CCN(C(=O)C2=CC3=CC(NS(C)(=O)=O)=CC=C3N2)CC1", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "Yes", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "Yes", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "C1=CC=C([C@@H]2CCNC[C@H]2COC2=CC=C3OCOC3=C2)C=C1;CS(=O)(=O)O", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "Yes", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "Yes", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "Yes", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CC(=CC(=O)OCCCCCCCCC(=O)O)CC1OCC(CC2OC2C(C)C(C)O)C(O)C1O", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "No", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "No", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "No", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "No", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CC1=CC2=C(C=C1CC(=O)C1=C(S(=O)(=O)NC3=C(Cl)C(C)=NO3)C=CS1)OCO2", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "Yes", "Endocrine disorders": "Yes", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "Yes", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CN1CCOC(C2=CC=CC=C2)C2=CC=CC=C2C1", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "No", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "No", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "No", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "No", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CC/C=C/CC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)C(C)C)[C@@H](C)O)[C@@H](C)CC", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "No", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "No", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CCC1(C)CC(=O)NC1=O", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "No", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "No", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CCCCC1=NC=C(C=C(CC2=CC=CS2)C(=O)O)N1CC1=CC=C(C(=O)O)C=C1;CS(=O)(=O)O", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CC(C)C1=CC=C2OC3=NC(N)=C(C(=O)O)C=C3C(=O)C2=C1", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "No", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "No", "Gastrointestinal disorders": "Yes", "Immune system disorders": "No", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "No", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "No", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "No", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "No", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "C[C@]12COC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "No", "Gastrointestinal disorders": "No", "Immune system disorders": "No", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "Yes", "Endocrine disorders": "Yes", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "No", "Nervous system disorders": "No"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CC(COC1=CC=CC=C1)N(CCCl)CC1=CC=CC=C1", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "No", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "No", "Gastrointestinal disorders": "Yes", "Immune system disorders": "No", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "No", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "No", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "NCCCC[C@@H]1NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)C(C2=CC=CC=C2)NC(=O)[C@@H]2C[C@@H](OC(=O)NCCN)CN2C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=C(OCC3=CC=CC=C3)C=C2)NC1=O;N[C@@H](CC(=O)O)C(=O)O;N[C@@H](CC(=O)O)C(=O)O", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "No", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "Yes", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "No", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)C4=CC=CC=C4)CC(O)(C(OC(=O)C4=CC=CC=C4)C21)C3(C)C", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "Yes", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CCOC1=CC(CC(=O)NC(CC(C)C)C2=CC=CC=C2N2CCCCC2)=CC=C1C(=O)O", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "No", "Psychiatric disorders": "No", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(O)=CC=C4[C@H]3CC[C@@]21C;C[C@]12CCC(=O)C=C1[C@@H]1C[C@@H]1[C@H]1[C@@H]3[C@@H]4C[C@@H]4[C@@]4(CCC(=O)O4)[C@@]3(C)CC[C@@H]12", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "No", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "No", "Gastrointestinal disorders": "Yes", "Immune system disorders": "No", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "No", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "COC1=CC(C2C3=CC4=C(C=C3C(OC3OC5COC(C6=CC=CS6)OC5C(O)C3O)C3COC(=O)C23)OCO4)=CC(OC)=C1O", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "No", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "Yes", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CCC1=CC=C(C(C)CCC2=CC=C([N+](C)(C)C)C=C2)C=C1;[Cl-]", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "Yes", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "ClC1=CC=C(CSC(CN2C=CN=C2)C2=CC=C(Cl)C=C2Cl)C=C1", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "No", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "No", "Gastrointestinal disorders": "No", "Immune system disorders": "No", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "No", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "No", "Psychiatric disorders": "No", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "No", "Nervous system disorders": "No"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "OC(CCN1CCCCC1)(C1=CC=CC=C1)C1CCCCC1", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "No", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "No", "Gastrointestinal disorders": "Yes", "Immune system disorders": "No", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "No", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "No", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "COC1=CC=C(CC2C3=CC(OC)=C(OC)C=C3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]2(C)CCC3=CC(OC)=C(OC)C=C3C2CC2=CC=C(OC)C(OC)=C2)C=C1OC;O=S(=O)([O-])C1=CC=CC=C1;O=S(=O)([O-])C1=CC=CC=C1", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "No", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "No", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "No", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CN1CCCC1CCOC(C)(C1=CC=CC=C1)C1=CC=C(Cl)C=C1", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "No", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CCCCC1=NC2(CCCC2)C(=O)N1CC1=CC=C(C2=CC=CC=C2C2=NNN=N2)C=C1", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CC1=CC2=C(N3CCN(C)CC3)NC3=CC=CC=C3N=C2S1;O;O;O=C(O)C1=CC2=CC=CC=C2C(CC2=C(O)C(C(=O)O)=CC3=CC=CC=C23)=C1O", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CC1=C(C)C2=C(CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2)C(C)=C1OC(=O)CCC(=O)OCCO", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "No", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "No", "Gastrointestinal disorders": "Yes", "Immune system disorders": "No", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "No", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "No", "Psychiatric disorders": "No", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "No", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CCC(C)CCCCC(=O)NC(CCNCS(=O)(=O)[O-])C(=O)NC(C(=O)NC(CCNCS(=O)(=O)[O-])C(=O)NC1CCNC(=O)C(C(C)O)NC(=O)C(CCNCS(=O)(=O)[O-])NC(=O)C(CCNCS(=O)(=O)[O-])NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCNCS(=O)(=O)[O-])NC1=O)C(C)O;[Na+];[Na+];[Na+];[Na+];[Na+]", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "No", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "No", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CC1=NC2=C(CCN(C(=O)C3=CC=C(NC(=O)C4=CC=CC=C4C4=CC=CC=C4)C=C3)C3=CC=CC=C32)N1", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "No", "Gastrointestinal disorders": "Yes", "Immune system disorders": "No", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "ClC1=CC=C(C(CN2C=CN=C2)OCC2=CSC3=C(Cl)C=CC=C23)C(Cl)=C1", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "No", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "No", "Gastrointestinal disorders": "No", "Immune system disorders": "No", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "No", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "No", "Psychiatric disorders": "No", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "No", "Nervous system disorders": "No"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CC(C)(C)C1=NC(C2=CC=CC(NS(=O)(=O)C3=C(F)C=CC=C3F)=C2F)=C(C2=CC=NC(N)=N2)S1", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "Yes", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "Yes", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "No", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CN(C)CCOC(=O)C(C1=CC=CC=C1)C1(O)CCCC1", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "No", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "No", "Gastrointestinal disorders": "Yes", "Immune system disorders": "No", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "No", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CCCCN(CCCC)CCC(O)C1=CC2=C(Cl)C=C(Cl)C=C2C2=CC(C(F)(F)F)=CC=C12;Cl", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CNCCCC1C2=CC=CC=C2C=CC2=CC=CC=C21", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "No", "Gastrointestinal disorders": "Yes", "Immune system disorders": "No", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "Yes", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "No", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CCCCCC1=CC(O)=C2C(=C1)OC(C)(C)C1CCC(C)=CC21", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CC1=C(CCC(=O)O)C2=CC3=NC(=CC4=C(C(C)OC(C)C5=C(C)C6=CC7=NC(=CC8=NC(=CC9=C(C(C)O)C(C)=C(C=C5N6)N9)C(C)=C8CCC(=O)O)C(CCC(=O)O)=C7C)C(C)=C(C=C5NC(=CC1=N2)C(C)=C5C(C)O)N4)C(C)=C3CCC(=O)O", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "No", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "Yes", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "Yes", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "O=C(O)CCCN1CCC(OC(C2=CC=C(Cl)C=C2)C2=CC=CC=N2)CC1", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "No", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "No", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "No", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "No", "Psychiatric disorders": "No", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "No", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "C1=CC=C(CNCCNCC2=CC=CC=C2)C=C1;CC1(C)S[C@@H]2[C@H](NC(=O)CC3=CC=CC=C3)C(=O)N2[C@H]1C(=O)O;CC1(C)S[C@@H]2[C@H](NC(=O)CC3=CC=CC=C3)C(=O)N2[C@H]1C(=O)O", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "No", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "NC(=O)C1CSSCCC(=O)NC(CCCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)N2CCCC2C(=O)N1", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "No", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "No", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "Yes", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "Yes", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "No", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CC1=CC=C([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1CC1=CC=C(C2=CC=C(F)C=C2)S1", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "No", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "Yes", "Respiratory, thoracic and mediastinal disorders": "No", "Psychiatric disorders": "No", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "No", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CC(C)CC(N(C)C)C1(C2=CC=C(Cl)C=C2)CCC1", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "Yes", "Endocrine disorders": "Yes", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "Yes", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CCCCCCCCCC(=O)N[C@H]1[C@H](OC2=C3C=C4C=C2OC2=CC=C(C=C2Cl)C[C@H]2NC(=O)[C@@H](N)C5=CC=C(O)C(=C5)OC5=CC(O)=CC(=C5)[C@H](NC2=O)C(=O)N[C@H]4C(=O)N[C@H]2C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)C4=CC(O)=CC(O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)=C4C4=CC2=CC=C4O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)C2=CC=C(O3)C(Cl)=C2)O[C@H](CO)[C@@H](O)[C@@H]1O", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "No", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "No", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "No", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "No", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CCC1CCC[C@H](O[C@H]2CCC(N(C)C)[C@@H](C)O2)C(C)C(=O)C2=C[C@@H]3[C@@H](C=C(C)[C@@H]4C[C@@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@@H]34)[C@@H]2CC(=O)O1;CCC1CCC[C@H](O[C@H]2CCC(N(C)C)[C@@H](C)O2)C(C)C(=O)C2=C[C@@H]3[C@@H](C=C[C@@H]4C[C@@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@@H]34)[C@@H]2CC(=O)O1", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "No", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "No", "Gastrointestinal disorders": "No", "Immune system disorders": "No", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "No", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "No", "Psychiatric disorders": "No", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "No", "Nervous system disorders": "No"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CNC1(C)C2CCC(C2)C1(C)C", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "No", "Gastrointestinal disorders": "Yes", "Immune system disorders": "No", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "No", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "No", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N1C(C(=O)O)CC2CCCC21", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "Yes", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "O=C([NH2+]CC1CCCCN1)C1=CC(OCC(F)(F)F)=CC=C1OCC(F)(F)F", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CNC(=O)C1=CN(C2=NC(N)=C3N=CN([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)C3=N2)N=C1", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "No", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "C[C@@H](C1=NC=NC=C1F)[C@](O)(CN1C=NC=N1)C1=CC=C(F)C=C1F", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "Yes", "Endocrine disorders": "Yes", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "Yes", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "Yes", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "COC1=CC=C2C(=C1)C(CC(=O)O)=C(C)N2C(=O)C1=CC=C(Cl)C=C1", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "Yes", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CN(C)CCC1=CNC2=CC=C(CN3C=NC=N3)C=C12", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CON=C(C(=O)N[C@@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(C=CC3=C(C)N=CS3)CS[C@H]12)C1=CSC(N)=N1", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "No", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "OCCOC[C@H]1O[C@H](OCCO)[C@H](OCCO)[C@@H](OCCO)[C@@H]1OCCO;OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "No", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "No", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "No", "Psychiatric disorders": "No", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "No", "Nervous system disorders": "No"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CC(=O)N1CCN(C2=CC=C(OCC3COC(CN4C=CN=C4)(C4=CC=C(Cl)C=C4Cl)O3)C=C2)CC1", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "Yes", "Endocrine disorders": "Yes", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@H]2O", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "No", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "No", "Gastrointestinal disorders": "Yes", "Immune system disorders": "No", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "Yes", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "No", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "No", "Nervous system disorders": "No"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C;CNC[C@H](O)C1=CC=CC(O)=C1;Cl", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "No", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "No", "Gastrointestinal disorders": "No", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "No", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "No", "Psychiatric disorders": "No", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "No", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "COC1=CC(Br)=C(C[N+]2(CCOCCC3CCC4CC3C4(C)C)CCOCC2)C=C1OC;[Br-]", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "No", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "No", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "No", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "No", "Psychiatric disorders": "No", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "No", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC1=CN=CN1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "No", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "No", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "No", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "No", "Psychiatric disorders": "No", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CCC1=CC=C(CCOC2=CC=C(CC3SC(=O)NC3=O)C=C2)N=C1", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "Yes", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "Yes", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "Yes", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "C[C@@]1(COC2=CC=C(N3CCC(OC4=CC=C(OC(F)(F)F)C=C4)CC3)C=C2)CN2C=C([N+](=O)[O-])N=C2O1", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "No", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CN(CC1=CN=C2N=C(N)N=C(N)C2=N1)C1=CC=C(C(=O)NC(CCC(=O)O)C(=O)O)C=C1", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "Yes", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "Yes", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "Yes", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CN1C(=O)C2=C(N=CN2)N(C)C1=O;CN1C(=O)C2=C(N=CN2)N(C)C1=O;NCCN", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CC(C)CC(NC(=O)CNC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)C(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(NC(=O)CNC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(N)CC1=NC=CN1)C(C)O)C(C)O)C(=O)NC(C(=O)O)C(C)C", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "No", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "No", "Gastrointestinal disorders": "Yes", "Immune system disorders": "No", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CC1=C(C)C2=C(CCC(C)(COC3=CC=C(CC4SC(=O)NC4=O)C=C3)O2)C(C)=C1O", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "No", "Gastrointestinal disorders": "Yes", "Immune system disorders": "No", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "No", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "No", "Psychiatric disorders": "No", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "NC(=O)C1=NN(C2OC(CO)C(O)C2O)C=N1", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "Yes", "Endocrine disorders": "Yes", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "Yes", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23OC2C[C@@]2(C)[C@@H](CC[C@@]24CCC(=O)O4)C13", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "No", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "Yes", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "OCC1=CC(C(O)CNCCCCCCOCCCCC2=CC=CC=C2)=CC=C1O", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CC(C)[N+](C)(CCOC(=O)C1C2=CC=CC=C2OC2=CC=CC=C21)C(C)C", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "No", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "No", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "No", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CCCCC1;[Br-]", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "No", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "No", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "No", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CC[C@]1(O)C[C@@H]2CN(CCC3=C(NC4=CC=CC=C34)[C@@](C(=O)OC)(C3=CC4=C(C=C3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "Yes", "Endocrine disorders": "Yes", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "No", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@@H]1N[C@@H]12", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "No", "Gastrointestinal disorders": "Yes", "Immune system disorders": "No", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "Yes", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "COC1=CC2=C(C=C1OC)C1CC(=O)C(CC(C)C)CN1CC2", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "No", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CNC(=O)C1=CC=CC=C1SC1=CC=C2C(C=CC3=CC=CC=N3)=NNC2=C1", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "No", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "Yes", "Endocrine disorders": "Yes", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "No", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "COC1=CC2=C(C3=CC=C(OC)C(=O)C=C3C(NC(C)=O)CC2)C(OC)=C1OC", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "Yes", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "No", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "No", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CO[C@H]1O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]2O[C@@H](C(=O)[O-])[C@@H](O[C@H]3O[C@H](COS(=O)(=O)[O-])C(O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O[C@H]5O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@H](O)[C@H]5NS(=O)(=O)[O-])[C@H](O)[C@H]4O)[C@H](OS(=O)(=O)[O-])[C@H]3NS(=O)(=O)[O-])[C@H](O)[C@H]2OS(=O)(=O)[O-])[C@H](O)[C@H]1NS(=O)(=O)[O-];[Na+];[Na+];[Na+];[Na+];[Na+];[Na+];[Na+];[Na+];[Na+];[Na+]", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CN[C@H]1C(=O)N[C@@H]2CC3=CC=C(C=C3)OC3=CC4=CC(=C3O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3NC(=O)CCCCCCCCC(C)C)OC3=CC=C(C=C3Cl)[C@@H](O)[C@@H]3NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@@H](NC2=O)C2=CC(=CC(O)=C2Cl)OC2=CC=C1C=C2O)C1=CC=C(O)C(=C1)C1=C(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C=C(O)C=C1[C@@H](C(=O)NCCCN(C)C)NC3=O", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "No", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "No", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "No", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CC(C)(C)C1=CC(C(C)(C)C)=C(NC(=O)C2=CNC3=CC=CC=C3C2=O)C=C1O", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "No", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "No", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "No", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "No", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "COC(=O)N(C)C1=C(N)N=C(C2=NN(CC3=CC=CC=C3F)C3=NC=CC=C23)N=C1N", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "No", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "No", "Gastrointestinal disorders": "Yes", "Immune system disorders": "No", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "No", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "No", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CCN1CCCC1CNC(=O)C1=CC(S(=O)(=O)CC)=C(N)C=C1OC", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "Yes", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "Yes", "Ear and labyrinth disorders": "No", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "C1=CC2=C(CCCC2)C(NC2=NCCN2)=C1", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "No", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "No", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "No", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CN1CCC[C@@H]1CC1=CNC2=CC=C(CCS(=O)(=O)C3=CC=CC=C3)C=C12", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "Yes", "Endocrine disorders": "Yes", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CC(C)(OC1=CC=C(CCNC(=O)C2=CC=C(Cl)C=C2)C=C1)C(=O)O", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "No", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "No", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "No", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "N=C1N=C(N2CCCCC2)C=C(N)N1O", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "No", "Gastrointestinal disorders": "Yes", "Immune system disorders": "No", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "Yes", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "No", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "Yes", "Nervous system disorders": "No"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "C=CC[N+]1([C@H]2CC3C4CCC5C[C@H](O)[C@@H](N6CCOCC6)C[C@]5(C)C4CC[C@]3(C)[C@H]2OC(C)=O)CCCC1;[Br-]", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "No", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "No", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "OC1=CC=C(C2C[NH2+]CCC3=C2C=C(O)C(O)=C3Cl)C=C1", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "No", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CC1=CC=C(NC(=O)C2=CC=C(CN3CCN(C)CC3)C=C2)C=C1NC1=NC=CC(C2=CC=CN=C2)=N1", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "Yes", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CN(C)C1=NC(N(C)C)=NC(N(C)C)=N1", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "No", "Gastrointestinal disorders": "Yes", "Immune system disorders": "No", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "Yes", "Endocrine disorders": "No", "Vascular disorders": "No", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "No", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "No", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "No", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CC(=O)OC1=CC=C(C(C2=CC=C(OC(C)=O)C=C2)C2=CC=CC=N2)C=C1", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "No", "Psychiatric disorders": "No", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "No", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CC1=CC(C=CC#N)=CC(C)=C1NC1=CC=NC(NC2=CC=C(C#N)C=C2)=N1", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "No", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "Yes", "Vascular disorders": "No", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "No", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "No", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CC1(C)SC(C(NC(=O)CC2=CC=CC=C2)C(=O)NCCCCCC(=O)O)NC1C(=O)O", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "No", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "No", "Gastrointestinal disorders": "No", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "No", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "No", "Nervous system disorders": "No"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CCC(C)C(NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)C(NC(=O)C(N)CO)C(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(CC(C)C)C(=O)NC(CCSC)C(=O)NC(CC1=CNC=N1)C(=O)NC(CC(N)=O)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CC1=CNC=N1)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)NC(CCSC)C(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(CC(=O)O)C(=O)NC(C(=O)NC(CC1=CNC=N1)C(=O)NC(CC(N)=O)C(=O)NC(CC1=CC=CC=C1)C(=O)O)C(C)C)C(C)C", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "Yes", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CNCC[C@H](OC1=CC=CC2=CC=CC=C12)C1=CC=CS1;Cl", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "Yes", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CC1C=CC=CC=CC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)C2=CC=CC=C2)C2(O)CC(OC(=O)C(O)C(NC(=O)C3=CC=CC=C3)C3=CC=CC=C3)C(C)=C1C2(C)C", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "Yes", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "Yes", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CNCCCC12CCC(C3=CC=CC=C31)C1=CC=CC=C12", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "No", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "Yes", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CC1=CN=C(C(=O)NCCC2=CC=C(S(=O)(=O)NC(=O)NC3CCCCC3)C=C2)C=N1", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "Yes", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "Yes", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "N;N;O=C(O)C1(C(=O)O)CCC1;[Pt]", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "Yes", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "No", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "C[C@@H](CC1=CC2=C(C(C(N)=O)=C1)N(CCCO)CC2)NCCOC1=CC=CC=C1OCC(F)(F)F", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "No", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "No", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "C=C1CC2CCC34CC5OC6C(OC7CCC(CC(=O)CC8C(CC9OC(CCC1O2)CC(C)C9=C)OC(CC(O)CN)C8OC)OC7C6O3)C5O4", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "Yes", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(C)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "Yes", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CC(C)(C)NCC(O)COC1=CC=CC2=C1CCC(=O)N2", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "No", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CN1C2CC(OC(=O)C(CO)C3=CC=CC=C3)CC1C1OC12", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "No", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "No", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "No", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3C(=C)C[C@@]21CC", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "No", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "Yes", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "No", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "No", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CSCCC1NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CO)NC(=O)C2CSSCC3NC(=O)C(CO)NC(=O)CNC(=O)C(C(C)O)NC(=O)C(CSSCC(N)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CCCCN)C(=O)NCC(=O)NC(C)C(=O)NC(CCCCN)C(=O)N2)NC(=O)C(CSSCC(C(N)=O)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CO)NC(=O)C(CCCNC(=N)N)NC3=O)NC(=O)C(CC(=O)O)NC(=O)C(CC2=CC=C(O)C=C2)NC1=O", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "ClC1=CC=CC=C1C(C1=CC=CC=C1)(C1=CC=CC=C1)N1C=CN=C1", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "No", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "No", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "No", "Psychiatric disorders": "No", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "No", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CCC(C)C(=O)OC1CC(O)C=C2C=CC(C)C(CCC(O)CC(O)CC(=O)O)C21", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "Yes", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CC(C)(C)NC[C@H](O)COC1=NSN=C1N1CCOCC1;CCN[C@H]1CN(CCCOC)S(=O)(=O)C2=C1C=C(S(N)(=O)=O)S2", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "No", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "No", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "NS(=O)(=O)CC1=NOC2=CC=CC=C12", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "Yes", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CN(C)CCCOC1=NN(CC2=CC=CC=C2)C2=CC=CC=C12", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "No", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "No", "Gastrointestinal disorders": "Yes", "Immune system disorders": "No", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "No", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "No", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "No", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "No", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CC1=CC(NS(=O)(=O)C2=CC=C(N)C=C2)=NO1", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "COC1=CC([C@@H]2C3=CC4=C(C=C3[C@@H](OC3OC5COC(C)OC5C(O)C3O)[C@H]3COC(=O)[C@H]23)OCO4)=CC(OC)=C1OP(=O)(O)O", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "No", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "Yes", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "No", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CC(O)(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)NC1=CC=C(C#N)C(C(F)(F)F)=C1", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "Yes", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(Cl)C(O)CC2(C)C1(OC(=O)C1=CC=CO1)C(=O)CCl", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "Yes", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "No", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)C1=CC=CO1)C(=O)SCF", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "No", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "No", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "No", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "Yes", "Endocrine disorders": "Yes", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "Yes", "Ear and labyrinth disorders": "No", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)CNC(=O)CNC(=O)[C@H](CC4=CC=C(O)C=C4)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC3=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)O)CSSC[C@H](NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N3CCC[C@H]3C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC3=CC=C(O)C=C3)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N3CCC[C@H]3C(=O)N2)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)CC)NC1=O", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CC12CC(=CO)C(=O)CC1CCC1C2CCC2(C)C1CCC2(C)O", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "No", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "No", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "Yes", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "No", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "No", "Nervous system disorders": "No"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "ClC1=CC=C(CON=C(CN2C=CN=C2)C2=CC=C(Cl)C=C2Cl)C(Cl)=C1", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "No", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "No", "Gastrointestinal disorders": "No", "Immune system disorders": "No", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "No", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "No", "Psychiatric disorders": "No", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "No", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "COC1=CC=C(CC(C)NCC(O)C2=CC=C(O)C(NC=O)=C2)C=C1", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "Yes", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)NCC(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "No", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "No", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "No", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "No", "Psychiatric disorders": "No", "Renal and urinary disorders": "No", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "No", "Cardiac disorders": "No", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "O=C([O-])CCSC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]9CSCCC(=O)[O-])O[C@@H]8CSCCC(=O)[O-])O[C@@H]7CSCCC(=O)[O-])O[C@@H]6CSCCC(=O)[O-])O[C@@H]5CSCCC(=O)[O-])O[C@@H]4CSCCC(=O)[O-])O[C@@H]3CSCCC(=O)[O-];[Na+];[Na+];[Na+];[Na+];[Na+];[Na+];[Na+];[Na+]", "output": {"Hepatobiliary disorders": "No", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "No", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "No", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "No", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "No", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "No", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}
+{"input": "OC(CN1C=NC=N1)(CN1C=NC=N1)C1=CC=C(F)C=C1F", "output": {"Hepatobiliary disorders": "Yes", "Metabolism and nutrition disorders": "Yes", "Eye disorders": "Yes", "Musculoskeletal and connective tissue disorders": "Yes", "Gastrointestinal disorders": "Yes", "Immune system disorders": "Yes", "Reproductive system and breast disorders": "Yes", "Neoplasms benign, malignant and unspecified (incl cysts and polyps)": "Yes", "Endocrine disorders": "No", "Vascular disorders": "Yes", "Blood and lymphatic system disorders": "Yes", "Skin and subcutaneous tissue disorders": "Yes", "Congenital, familial and genetic disorders": "No", "Respiratory, thoracic and mediastinal disorders": "Yes", "Psychiatric disorders": "Yes", "Renal and urinary disorders": "Yes", "Pregnancy, puerperium and perinatal conditions": "Yes", "Ear and labyrinth disorders": "Yes", "Cardiac disorders": "Yes", "Nervous system disorders": "Yes"}, "task": "property_prediction-sider", "split": "test"}