{"0": {"pro_comp_id": 1, "tar_path": "BRD7_Q9NPI1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD7_Q9NPI1_1_lig_smina_out.mol2", "protac_path": "1_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CCN(CCOCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": -1}, "1": {"pro_comp_id": 1, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_125_lig_smina_out.mol2", "protac_path": "1_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CCN(CCOCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": -1}, "2": {"pro_comp_id": 2, "tar_path": "BRD7_Q9NPI1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD7_Q9NPI1_1_lig_smina_out.mol2", "protac_path": "2_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CCN(CCOCCOCCOCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": -1}, "3": {"pro_comp_id": 2, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_125_lig_smina_out.mol2", "protac_path": "2_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CCN(CCOCCOCCOCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": -1}, "4": {"pro_comp_id": 3, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_125_lig_smina_out.mol2", "protac_path": "3_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CCN(CCOCCOCC(=O)NCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "5": {"pro_comp_id": 4, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_125_lig_smina_out.mol2", "protac_path": "4_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CCN(CCOCCOCCOCCOCC(=O)NCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "6": {"pro_comp_id": 5, "tar_path": "BRD7_Q9NPI1.pdb", "e3_ligase_path": "DCAF15_Q66K64.pdb", "e3_lig_path": "DCAF15_Q66K64_8_lig_smina_out.mol2", "war_path": "BRD7_Q9NPI1_1_lig_smina_out.mol2", "protac_path": "5_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CCN(CCOCCOCC(=O)NCC2=CC=C(S(=O)(=O)NC3=CC=CC4=C3[NH]C=C4Cl)C=C2)CC1", "label": -1}, "7": {"pro_comp_id": 5, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "DCAF15_Q66K64.pdb", "e3_lig_path": "DCAF15_Q66K64_8_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_125_lig_smina_out.mol2", "protac_path": "5_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CCN(CCOCCOCC(=O)NCC2=CC=C(S(=O)(=O)NC3=CC=CC4=C3[NH]C=C4Cl)C=C2)CC1", "label": -1}, "8": {"pro_comp_id": 6, "tar_path": "BRD7_Q9NPI1.pdb", "e3_ligase_path": "DCAF15_Q66K64.pdb", "e3_lig_path": "DCAF15_Q66K64_8_lig_smina_out.mol2", "war_path": "BRD7_Q9NPI1_1_lig_smina_out.mol2", "protac_path": "6_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CCN(CCOCCOCCOCCOCC(=O)NCC2=CC=C(S(=O)(=O)NC3=CC=CC4=C3[NH]C=C4Cl)C=C2)CC1", "label": -1}, "9": {"pro_comp_id": 6, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "DCAF15_Q66K64.pdb", "e3_lig_path": "DCAF15_Q66K64_8_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_125_lig_smina_out.mol2", "protac_path": "6_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CCN(CCOCCOCCOCCOCC(=O)NCC2=CC=C(S(=O)(=O)NC3=CC=CC4=C3[NH]C=C4Cl)C=C2)CC1", "label": -1}, "10": {"pro_comp_id": 7, "tar_path": "BRD7_Q9NPI1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD7_Q9NPI1_1_lig_smina_out.mol2", "protac_path": "7_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CCN(CCOCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": -1}, "11": {"pro_comp_id": 7, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_125_lig_smina_out.mol2", "protac_path": "7_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CCN(CCOCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": -1}, "12": {"pro_comp_id": 8, "tar_path": "BRD7_Q9NPI1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD7_Q9NPI1_1_lig_smina_out.mol2", "protac_path": "8_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CCN(CCCCCOCCOCC(=O)N[C@@H](C(=O)N2C[C@@H](O)C[C@@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": -1}, "13": {"pro_comp_id": 8, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_125_lig_smina_out.mol2", "protac_path": "8_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CCN(CCCCCOCCOCC(=O)N[C@@H](C(=O)N2C[C@@H](O)C[C@@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": -1}, "14": {"pro_comp_id": 9, "tar_path": "BRD7_Q9NPI1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD7_Q9NPI1_1_lig_smina_out.mol2", "protac_path": "9_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CCN(CCOCCOCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": -1}, "15": {"pro_comp_id": 9, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_125_lig_smina_out.mol2", "protac_path": "9_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CCN(CCOCCOCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": -1}, "16": {"pro_comp_id": 10, "tar_path": "BRD7_Q9NPI1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD7_Q9NPI1_1_lig_smina_out.mol2", "protac_path": "10_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CCN(C(=O)COCCOCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": -1}, "17": {"pro_comp_id": 10, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_125_lig_smina_out.mol2", "protac_path": "10_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CCN(C(=O)COCCOCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": -1}, "18": {"pro_comp_id": 11, "tar_path": "BRD7_Q9NPI1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "BRD7_Q9NPI1_1_lig_smina_out.mol2", "protac_path": "11_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CCN(CCOCCOCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)CC1", "label": -1}, "19": {"pro_comp_id": 11, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_125_lig_smina_out.mol2", "protac_path": "11_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CCN(CCOCCOCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)CC1", "label": 0}, "20": {"pro_comp_id": 12, "tar_path": "BRD7_Q9NPI1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_13_lig_smina_out.mol2", "war_path": "BRD7_Q9NPI1_1_lig_smina_out.mol2", "protac_path": "12_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CCN(CCOCCOCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(C#N)CC2)C(C)(C)C)CC1", "label": -1}, "21": {"pro_comp_id": 12, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_13_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_125_lig_smina_out.mol2", "protac_path": "12_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CCN(CCOCCOCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(C#N)CC2)C(C)(C)C)CC1", "label": -1}, "22": {"pro_comp_id": 13, "tar_path": "BRD7_Q9NPI1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD7_Q9NPI1_1_lig_smina_out.mol2", "protac_path": "13_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CCN(CCOCCOCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(C)=O)C(C)(C)C)CC1", "label": -1}, "23": {"pro_comp_id": 13, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_125_lig_smina_out.mol2", "protac_path": "13_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CCN(CCOCCOCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(C)=O)C(C)(C)C)CC1", "label": -1}, "24": {"pro_comp_id": 14, "tar_path": "BRD7_Q9NPI1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "BRD7_Q9NPI1_1_lig_smina_out.mol2", "protac_path": "14_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CCN(CCOCCOCCOCCOCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)CC1", "label": -1}, "25": {"pro_comp_id": 14, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_125_lig_smina_out.mol2", "protac_path": "14_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CCN(CCOCCOCCOCCOCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)CC1", "label": -1}, "26": {"pro_comp_id": 15, "tar_path": "BRD7_Q9NPI1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_13_lig_smina_out.mol2", "war_path": "BRD7_Q9NPI1_1_lig_smina_out.mol2", "protac_path": "15_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CCN(CCOCCOCCOCCOCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(C#N)CC2)C(C)(C)C)CC1", "label": -1}, "27": {"pro_comp_id": 15, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_13_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_125_lig_smina_out.mol2", "protac_path": "15_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CCN(CCOCCOCCOCCOCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(C#N)CC2)C(C)(C)C)CC1", "label": -1}, "28": {"pro_comp_id": 16, "tar_path": "BRD7_Q9NPI1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD7_Q9NPI1_1_lig_smina_out.mol2", "protac_path": "16_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CCN(CCOCCOCCOCCOCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(C)=O)C(C)(C)C)CC1", "label": -1}, "29": {"pro_comp_id": 16, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_125_lig_smina_out.mol2", "protac_path": "16_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CCN(CCOCCOCCOCCOCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(C)=O)C(C)(C)C)CC1", "label": -1}, "30": {"pro_comp_id": 17, "tar_path": "BRD7_Q9NPI1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "BRD7_Q9NPI1_1_lig_smina_out.mol2", "protac_path": "17_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CCN(CCOCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)CC1", "label": -1}, "31": {"pro_comp_id": 17, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_125_lig_smina_out.mol2", "protac_path": "17_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CCN(CCOCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)CC1", "label": -1}, "32": {"pro_comp_id": 18, "tar_path": "BRD7_Q9NPI1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "BRD7_Q9NPI1_2_lig_smina_out.mol2", "protac_path": "18_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=C(OC)C=C1CN1CCN(CCOCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)CC1", "label": -1}, "33": {"pro_comp_id": 18, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_2_lig_smina_out.mol2", "protac_path": "18_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=C(OC)C=C1CN1CCN(CCOCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)CC1", "label": -1}, "34": {"pro_comp_id": 19, "tar_path": "BRD7_Q9NPI1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "BRD7_Q9NPI1_2_lig_smina_out.mol2", "protac_path": "19_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=C(OC)C=C1CN1CCN(CCOCCOCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)CC1", "label": -1}, "35": {"pro_comp_id": 19, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_2_lig_smina_out.mol2", "protac_path": "19_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=C(OC)C=C1CN1CCN(CCOCCOCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)CC1", "label": -1}, "36": {"pro_comp_id": 20, "tar_path": "BRD7_Q9NPI1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "BRD7_Q9NPI1_1_lig_smina_out.mol2", "protac_path": "20_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CCN(CCOCCOCCOCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)CC1", "label": -1}, "37": {"pro_comp_id": 20, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_125_lig_smina_out.mol2", "protac_path": "20_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CCN(CCOCCOCCOCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)CC1", "label": -1}, "38": {"pro_comp_id": 21, "tar_path": "BRD7_Q9NPI1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "BRD7_Q9NPI1_2_lig_smina_out.mol2", "protac_path": "21_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=C(OC)C=C1CN1CCN(CCOCCOCCOCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)CC1", "label": -1}, "39": {"pro_comp_id": 21, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_2_lig_smina_out.mol2", "protac_path": "21_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=C(OC)C=C1CN1CCN(CCOCCOCCOCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)CC1", "label": -1}, "40": {"pro_comp_id": 22, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_125_lig_smina_out.mol2", "protac_path": "22_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CCN(CCCCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)CC1", "label": 1}, "41": {"pro_comp_id": 22, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_125_lig_smina_out.mol2", "protac_path": "22_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CCN(CCCCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)CC1", "label": 1}, "42": {"pro_comp_id": 22, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_125_lig_smina_out.mol2", "protac_path": "22_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CCN(CCCCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)CC1", "label": 1}, "43": {"pro_comp_id": 22, "tar_path": "BRD7_Q9NPI1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "BRD7_Q9NPI1_1_lig_smina_out.mol2", "protac_path": "22_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CCN(CCCCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)CC1", "label": 1}, "44": {"pro_comp_id": 22, "tar_path": "BRD7_Q9NPI1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "BRD7_Q9NPI1_1_lig_smina_out.mol2", "protac_path": "22_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CCN(CCCCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)CC1", "label": 1}, "45": {"pro_comp_id": 22, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_125_lig_smina_out.mol2", "protac_path": "22_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CCN(CCCCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)CC1", "label": -1}, "46": {"pro_comp_id": 22, "tar_path": "BRD7_Q9NPI1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "BRD7_Q9NPI1_1_lig_smina_out.mol2", "protac_path": "22_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CCN(CCCCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)CC1", "label": -1}, "47": {"pro_comp_id": 23, "tar_path": "BRD7_Q9NPI1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "BRD7_Q9NPI1_2_lig_smina_out.mol2", "protac_path": "23_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=C(OC)C=C1CN1CCN(CCCCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)CC1", "label": -1}, "48": {"pro_comp_id": 23, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_2_lig_smina_out.mol2", "protac_path": "23_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=C(OC)C=C1CN1CCN(CCCCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)CC1", "label": -1}, "49": {"pro_comp_id": 24, "tar_path": "BRD7_Q9NPI1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "BRD7_Q9NPI1_1_lig_smina_out.mol2", "protac_path": "24_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CCN(CCCCCOCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)CC1", "label": -1}, "50": {"pro_comp_id": 24, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_125_lig_smina_out.mol2", "protac_path": "24_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CCN(CCCCCOCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)CC1", "label": -1}, "51": {"pro_comp_id": 25, "tar_path": "BRD7_Q9NPI1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "BRD7_Q9NPI1_2_lig_smina_out.mol2", "protac_path": "25_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=C(OC)C=C1CN1CCN(CCCCCOCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)CC1", "label": -1}, "52": {"pro_comp_id": 25, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_2_lig_smina_out.mol2", "protac_path": "25_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=C(OC)C=C1CN1CCN(CCCCCOCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)CC1", "label": -1}, "53": {"pro_comp_id": 26, "tar_path": "BRD7_Q9NPI1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "BRD7_Q9NPI1_1_lig_smina_out.mol2", "protac_path": "26_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CC(NC(=O)COCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C1", "label": -1}, "54": {"pro_comp_id": 26, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_125_lig_smina_out.mol2", "protac_path": "26_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CC(NC(=O)COCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C1", "label": -1}, "55": {"pro_comp_id": 27, "tar_path": "BRD7_Q9NPI1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "BRD7_Q9NPI1_2_lig_smina_out.mol2", "protac_path": "27_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=C(OC)C=C1CN1CC(NC(=O)COCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C1", "label": -1}, "56": {"pro_comp_id": 27, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_2_lig_smina_out.mol2", "protac_path": "27_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=C(OC)C=C1CN1CC(NC(=O)COCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C1", "label": -1}, "57": {"pro_comp_id": 28, "tar_path": "BRD7_Q9NPI1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "BRD7_Q9NPI1_1_lig_smina_out.mol2", "protac_path": "28_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CC(NC(=O)COCCOCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C1", "label": -1}, "58": {"pro_comp_id": 28, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_125_lig_smina_out.mol2", "protac_path": "28_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CC(NC(=O)COCCOCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C1", "label": -1}, "59": {"pro_comp_id": 29, "tar_path": "BRD7_Q9NPI1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "BRD7_Q9NPI1_2_lig_smina_out.mol2", "protac_path": "29_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=C(OC)C=C1CN1CC(NC(=O)COCCOCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C1", "label": -1}, "60": {"pro_comp_id": 29, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_2_lig_smina_out.mol2", "protac_path": "29_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=C(OC)C=C1CN1CC(NC(=O)COCCOCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C1", "label": -1}, "61": {"pro_comp_id": 30, "tar_path": "BRD7_Q9NPI1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "BRD7_Q9NPI1_1_lig_smina_out.mol2", "protac_path": "30_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CC(NC(=O)COCCOCCOCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C1", "label": -1}, "62": {"pro_comp_id": 30, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_125_lig_smina_out.mol2", "protac_path": "30_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CC(NC(=O)COCCOCCOCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C1", "label": -1}, "63": {"pro_comp_id": 31, "tar_path": "BRD7_Q9NPI1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "BRD7_Q9NPI1_2_lig_smina_out.mol2", "protac_path": "31_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=C(OC)C=C1CN1CC(NC(=O)COCCOCCOCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C1", "label": -1}, "64": {"pro_comp_id": 31, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_2_lig_smina_out.mol2", "protac_path": "31_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=C(OC)C=C1CN1CC(NC(=O)COCCOCCOCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C1", "label": -1}, "65": {"pro_comp_id": 32, "tar_path": "BRD7_Q9NPI1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "BRD7_Q9NPI1_1_lig_smina_out.mol2", "protac_path": "32_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CC(NC(=O)CCCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C1", "label": -1}, "66": {"pro_comp_id": 32, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_125_lig_smina_out.mol2", "protac_path": "32_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CC(NC(=O)CCCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C1", "label": -1}, "67": {"pro_comp_id": 33, "tar_path": "BRD7_Q9NPI1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "BRD7_Q9NPI1_2_lig_smina_out.mol2", "protac_path": "33_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=C(OC)C=C1CN1CC(NC(=O)CCCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C1", "label": -1}, "68": {"pro_comp_id": 33, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_2_lig_smina_out.mol2", "protac_path": "33_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=C(OC)C=C1CN1CC(NC(=O)CCCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C1", "label": -1}, "69": {"pro_comp_id": 34, "tar_path": "BRD7_Q9NPI1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "BRD7_Q9NPI1_1_lig_smina_out.mol2", "protac_path": "34_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CC(NC(=O)CCCCOCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C1", "label": -1}, "70": {"pro_comp_id": 34, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_125_lig_smina_out.mol2", "protac_path": "34_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CC(NC(=O)CCCCOCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C1", "label": -1}, "71": {"pro_comp_id": 35, "tar_path": "BRD7_Q9NPI1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "BRD7_Q9NPI1_2_lig_smina_out.mol2", "protac_path": "35_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=C(OC)C=C1CN1CC(NC(=O)CCCCOCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C1", "label": -1}, "72": {"pro_comp_id": 35, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_2_lig_smina_out.mol2", "protac_path": "35_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=C(OC)C=C1CN1CC(NC(=O)CCCCOCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C1", "label": -1}, "73": {"pro_comp_id": 36, "tar_path": "MCL1_Q07820.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MCL1_Q07820_3_lig_smina_out.mol2", "protac_path": "36_protac.mol2", "smiles": "CC1=NN(C)C(COC2=CC=C(N3CCN(S(=O)(=O)N(C)C)CC3)C=C2)=C1C1=CC=CC2=C1N(CCN1CCN(C(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)C(C(=O)O)=C2CCCOC1=CC=CC2=CC=CC=C12", "label": -1}, "74": {"pro_comp_id": 37, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MDM2_Q00987_4_lig_smina_out.mol2", "protac_path": "37_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCNC(=O)C4=CC=C(NC(=O)[C@@H]5NC6(CCCCC6)[C@@]6(C(=O)NC7=CC(Cl)=CC=C76)[C@H]5C5=CC=CC(Cl)=C5F)C=C4)=C3C2=O)C(=O)N1", "label": -1}, "75": {"pro_comp_id": 38, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MDM2_Q00987_4_lig_smina_out.mol2", "protac_path": "38_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCNC(=O)C4=CC=C(NC(=O)[C@@H]5NC6(CCCCC6)[C@@]6(C(=O)NC7=CC(Cl)=CC=C76)[C@H]5C5=CC=CC(Cl)=C5F)C=C4)=C3C2=O)C(=O)N1", "label": -1}, "76": {"pro_comp_id": 39, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_5_lig_smina_out.mol2", "protac_path": "39_protac.mol2", "smiles": "O=C1CCC(N2CC3=C(NC(=O)C4=CC=C(NC(=O)[C@@H]5NC6(CCCCC6)[C@@]6(C(=O)NC7=CC(Cl)=CC=C76)[C@H]5C5=CC=CC(Cl)=C5F)C=C4)C=CC=C3C2=O)C(=O)N1", "label": -1}, "77": {"pro_comp_id": 40, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MDM2_Q00987_4_lig_smina_out.mol2", "protac_path": "40_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCNC(=O)C4=CC=C(NC(=O)[C@@H]5NC6(CCCCC6)[C@@]6(C(=O)NC7=CC(Cl)=CC=C76)[C@H]5C5=CC=CC(Cl)=C5F)C=C4)=C3C2=O)C(=O)N1", "label": -1}, "78": {"pro_comp_id": 41, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MDM2_Q00987_4_lig_smina_out.mol2", "protac_path": "41_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCNC(=O)C4=CC=C(NC(=O)[C@@H]5NC6(CCCCC6)[C@@]6(C(=O)NC7=CC(Cl)=CC=C76)[C@H]5C5=CC=CC(Cl)=C5F)C=C4)=C3C2=O)C(=O)N1", "label": -1}, "79": {"pro_comp_id": 42, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MDM2_Q00987_4_lig_smina_out.mol2", "protac_path": "42_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCNC(=O)C4=CC=C(NC(=O)[C@@H]5NC6(CCCCC6)[C@@]6(C(=O)NC7=CC(Cl)=CC=C76)[C@H]5C5=CC=CC(Cl)=C5F)C=C4)=C3C2=O)C(=O)N1", "label": -1}, "80": {"pro_comp_id": 43, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MDM2_Q00987_4_lig_smina_out.mol2", "protac_path": "43_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCNC(=O)C4=CC=C(NC(=O)[C@@H]5NC6(CCCCC6)[C@@]6(C(=O)NC7=CC(Cl)=CC=C76)[C@H]5C5=CC=CC(Cl)=C5F)C=C4)=C3C2=O)C(=O)N1", "label": -1}, "81": {"pro_comp_id": 44, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MDM2_Q00987_4_lig_smina_out.mol2", "protac_path": "44_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCNC(=O)C4=CC=C(NC(=O)[C@@H]5NC6(CCCCC6)[C@@]6(C(=O)NC7=CC(Cl)=CC=C76)[C@H]5C5=CC=CC(Cl)=C5F)C=C4)=C3C2=O)C(=O)N1", "label": -1}, "82": {"pro_comp_id": 45, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MDM2_Q00987_4_lig_smina_out.mol2", "protac_path": "45_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCNC(=O)C4=CC=C(NC(=O)[C@@H]5NC6(CCCCC6)[C@@]6(C(=O)NC7=CC(Cl)=CC=C76)[C@H]5C5=CC=CC(Cl)=C5F)C=C4)=C3C2=O)C(=O)N1", "label": -1}, "83": {"pro_comp_id": 46, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MDM2_Q00987_4_lig_smina_out.mol2", "protac_path": "46_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCNC(=O)C4=CC=C(NC(=O)[C@@H]5NC6(CCCCC6)[C@@]6(C(=O)NC7=CC(Cl)=CC=C76)[C@H]5C5=CC=CC(Cl)=C5F)C=C4)=C3C2=O)C(=O)N1", "label": -1}, "84": {"pro_comp_id": 47, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MDM2_Q00987_4_lig_smina_out.mol2", "protac_path": "47_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(CCCCCNC(=O)C4=CC=C(NC(=O)[C@@H]5NC6(CCCCC6)[C@@]6(C(=O)NC7=CC(Cl)=CC=C76)[C@H]5C5=CC=CC(Cl)=C5F)C=C4)=C3C2=O)C(=O)N1", "label": -1}, "85": {"pro_comp_id": 48, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_4_lig_smina_out.mol2", "protac_path": "48_protac.mol2", "smiles": "O=C1CCC(N2CC3=C(NCCCCNC(=O)C4=CC=C(NC(=O)[C@@H]5NC6(CCCCC6)[C@@]6(C(=O)NC7=CC(Cl)=CC=C76)[C@H]5C5=CC=CC(Cl)=C5F)C=C4)C=CC=C3C2=O)C(=O)N1", "label": -1}, "86": {"pro_comp_id": 49, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_4_lig_smina_out.mol2", "protac_path": "49_protac.mol2", "smiles": "O=C1CCC(N2CC3=C(CCCCCNC(=O)C4=CC=C(NC(=O)[C@@H]5NC6(CCCCC6)[C@@]6(C(=O)NC7=CC(Cl)=CC=C76)[C@H]5C5=CC=CC(Cl)=C5F)C=C4)C=CC=C3C2=O)C(=O)N1", "label": -1}, "87": {"pro_comp_id": 50, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_4_lig_smina_out.mol2", "protac_path": "50_protac.mol2", "smiles": "O=C1CCC(N2CC3=C(C#CCCCNC(=O)C4=CC=C(NC(=O)[C@@H]5NC6(CCCCC6)[C@@]6(C(=O)NC7=CC(Cl)=CC=C76)[C@H]5C5=CC=CC(Cl)=C5F)C=C4)C=CC=C3C2=O)C(=O)N1", "label": -1}, "88": {"pro_comp_id": 51, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_4_lig_smina_out.mol2", "protac_path": "51_protac.mol2", "smiles": "O=C1CCC(N2CC3=C(C#CCCNC(=O)C4=CC=C(NC(=O)[C@@H]5NC6(CCCCC6)[C@@]6(C(=O)NC7=CC(Cl)=CC=C76)[C@H]5C5=CC=CC(Cl)=C5F)C=C4)C=CC=C3C2=O)C(=O)N1", "label": -1}, "89": {"pro_comp_id": 52, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_4_lig_smina_out.mol2", "protac_path": "52_protac.mol2", "smiles": "O=C1CCC(N2CC3=CC(C#CCCCNC(=O)C4=CC=C(NC(=O)[C@@H]5NC6(CCCCC6)[C@@]6(C(=O)NC7=CC(Cl)=CC=C76)[C@H]5C5=CC=CC(Cl)=C5F)C=C4)=CC=C3C2=O)C(=O)N1", "label": -1}, "90": {"pro_comp_id": 53, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_4_lig_smina_out.mol2", "protac_path": "53_protac.mol2", "smiles": "O=C1CCC(N2CC3=CC=C(C#CCCCNC(=O)C4=CC=C(NC(=O)[C@@H]5NC6(CCCCC6)[C@@]6(C(=O)NC7=CC(Cl)=CC=C76)[C@H]5C5=CC=CC(Cl)=C5F)C=C4)C=C3C2=O)C(=O)N1", "label": -1}, "91": {"pro_comp_id": 54, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MDM2_Q00987_4_lig_smina_out.mol2", "protac_path": "54_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCNC(=O)C3=CC=C(NC(=O)[C@@H]4NC5(CCCCC5)[C@@]5(C(=O)NC6=CC(Cl)=CC=C65)[C@H]4C4=CC=CC(Cl)=C4F)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "92": {"pro_comp_id": 55, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MDM2_Q00987_4_lig_smina_out.mol2", "protac_path": "55_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCNC(=O)C3=CC=C(NC(=O)[C@@H]4NC5(CCCCC5)[C@@]5(C(=O)NC6=CC(Cl)=CC=C65)[C@H]4C4=CC=CC(Cl)=C4F)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "93": {"pro_comp_id": 56, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MDM2_Q00987_4_lig_smina_out.mol2", "protac_path": "56_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCNC(=O)C3=CC=C(NC(=O)[C@@H]4NC5(CCCCC5)[C@@]5(C(=O)NC6=CC(Cl)=CC=C65)[C@H]4C4=CC=CC(Cl)=C4F)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "94": {"pro_comp_id": 57, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "57_protac.mol2", "smiles": "CCN(CCOCCOCCOCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)CCOC1=CC=C(C(=O)C2=C(C3=CC=C(O)C=C3)SC3=CC(O)=CC=C23)C=C1", "label": 0}, "95": {"pro_comp_id": 58, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "58_protac.mol2", "smiles": "CCN(CCCCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)CCOC1=CC=C(C(=O)C2=C(C3=CC=C(O)C=C3)SC3=CC(O)=CC=C23)C=C1", "label": 0}, "96": {"pro_comp_id": 59, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "59_protac.mol2", "smiles": "CCN(CCOCCOCCOCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)C1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C)CCOC1=CC=C(C(=O)C2=C(C3=CC=C(O)C=C3)SC3=CC(O)=CC=C23)C=C1", "label": -1}, "97": {"pro_comp_id": 60, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "60_protac.mol2", "smiles": "CCN(CCCCCCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)C1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C)CCOC1=CC=C(C(=O)C2=C(C3=CC=C(O)C=C3)SC3=CC(O)=CC=C23)C=C1", "label": -1}, "98": {"pro_comp_id": 61, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "61_protac.mol2", "smiles": "CCN(CCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)C1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C)CCOC1=CC=C(C(=O)C2=C(C3=CC=C(O)C=C3)SC3=CC(O)=CC=C23)C=C1", "label": -1}, "99": {"pro_comp_id": 62, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "62_protac.mol2", "smiles": "CCN(CCCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)C1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C)CCOC1=CC=C(C(=O)C2=C(C3=CC=C(O)C=C3)SC3=CC(O)=CC=C23)C=C1", "label": -1}, "100": {"pro_comp_id": 63, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "63_protac.mol2", "smiles": "CCN(CCCCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)C1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C)CCOC1=CC=C(C(=O)C2=C(C3=CC=C(O)C=C3)SC3=CC(O)=CC=C23)C=C1", "label": -1}, "101": {"pro_comp_id": 64, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "64_protac.mol2", "smiles": "CCN(CCCCCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)C1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C)CCOC1=CC=C(C(=O)C2=C(C3=CC=C(O)C=C3)SC3=CC(O)=CC=C23)C=C1", "label": -1}, "102": {"pro_comp_id": 65, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "65_protac.mol2", "smiles": "CCN(CCCCCCCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)C1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C)CCOC1=CC=C(C(=O)C2=C(C3=CC=C(O)C=C3)SC3=CC(O)=CC=C23)C=C1", "label": -1}, "103": {"pro_comp_id": 66, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "66_protac.mol2", "smiles": "CCN(CCCCCCCCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)C1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C)CCOC1=CC=C(C(=O)C2=C(C3=CC=C(O)C=C3)SC3=CC(O)=CC=C23)C=C1", "label": -1}, "104": {"pro_comp_id": 67, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "67_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCN(C)CCOC3=CC=C(C(=O)C4=C(C5=CC=C(O)C=C5)SC5=CC(O)=CC=C45)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "105": {"pro_comp_id": 68, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "68_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCN(CCOC3=CC=C(C(=O)C4=C(C5=CC=C(O)C=C5)SC5=CC(O)=CC=C45)C=C3)C(C)C)C(C)(C)C)C=C2)SC=N1", "label": -1}, "106": {"pro_comp_id": 69, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "69_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCN(CCOC3=CC=C(C(=O)C4=C(C5=CC=C(O)C=C5)SC5=CC(O)=CC=C45)C=C3)C(C)(C)C)C(C)(C)C)C=C2)SC=N1", "label": -1}, "107": {"pro_comp_id": 70, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "70_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCN(CCOC3=CC=C(C(=O)C4=C(C5=CC=C(O)C=C5)SC5=CC(O)=CC=C45)C=C3)C3CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "108": {"pro_comp_id": 71, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "71_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCN(CCOC3=CC=C(C(=O)C4=C(C5=CC=C(O)C=C5)SC5=CC(O)=CC=C45)C=C3)C3CCC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "109": {"pro_comp_id": 72, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "72_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCN(CCOC3=CC=C(C(=O)C4=C(C5=CC=C(O)C=C5)SC5=CC(O)=CC=C45)C=C3)C3CCCC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "110": {"pro_comp_id": 73, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "73_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCN(CCOC3=CC=C(C(=O)C4=C(C5=CC=C(O)C=C5)SC5=CC(O)=CC=C45)C=C3)C3CCCCC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "111": {"pro_comp_id": 74, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "74_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCN(CCOC3=CC=C(C(=O)C4=C(C5=CC=C(O)C=C5)SC5=CC(O)=CC=C45)C=C3)CC3CCC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "112": {"pro_comp_id": 75, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "75_protac.mol2", "smiles": "CCN(CCOCCOCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)C1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C)CCOC1=CC=C(C(=O)C2=C(C3=CC=C(O)C=C3)SC3=CC(O)=CC=C23)C=C1", "label": -1}, "113": {"pro_comp_id": 76, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "76_protac.mol2", "smiles": "CCN(CCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)C1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C)CCOC1=CC=C(C(=O)C2=C(C3=CC=C(O)C=C3)SC3=CC(O)=CC=C23)C=C1", "label": -1}, "114": {"pro_comp_id": 77, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "77_protac.mol2", "smiles": "CCN(CCCCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)C1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C)CCOC1=CC=C(C(=O)C2=C(C3=CC=C(O)C=C3)SC3=CC(O)=CC=C23)C=C1", "label": 1}, "115": {"pro_comp_id": 78, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "78_protac.mol2", "smiles": "CCN(CCOC1=CC=C(C(=O)C2=C(C3=CC=C(O)C=C3)SC3=CC(O)=CC=C23)C=C1)CCC1CCN(CCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": -1}, "116": {"pro_comp_id": 79, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "79_protac.mol2", "smiles": "CCN(CCOC1=CC=C(C(=O)C2=C(C3=CC=C(O)C=C3)SC3=CC(O)=CC=C23)C=C1)CCN1CCN(CCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": -1}, "117": {"pro_comp_id": 80, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "80_protac.mol2", "smiles": "CCN(CCCC#CC1=CN(CCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)N=C1)CCOC1=CC=C(C(=O)C2=C(C3=CC=C(O)C=C3)SC3=CC(O)=CC=C23)C=C1", "label": -1}, "118": {"pro_comp_id": 81, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "81_protac.mol2", "smiles": "CCN(CCC#CC1=CN(CC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)N=C1)CCOC1=CC=C(C(=O)C2=C(C3=CC=C(O)C=C3)SC3=CC(O)=CC=C23)C=C1", "label": -1}, "119": {"pro_comp_id": 82, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "82_protac.mol2", "smiles": "CCN(CCCCC1=CN(CC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)N=C1)CCOC1=CC=C(C(=O)C2=C(C3=CC=C(O)C=C3)SC3=CC(O)=CC=C23)C=C1", "label": -1}, "120": {"pro_comp_id": 83, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_7_lig_smina_out.mol2", "protac_path": "83_protac.mol2", "smiles": "CC/C(=C(\\C1=CC=C(O)C=C1)C1=CC=C(OCCN(CC)CCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)C=C1)C1=CC=CC=C1", "label": -1}, "121": {"pro_comp_id": 84, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_88_lig_smina_out.mol2", "protac_path": "84_protac.mol2", "smiles": "CC/C(=C(\\C1=CC=CC=C1)C1=CC=C(OCCN(CC)CCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)C=C1)C1=CC=CC=C1", "label": -1}, "122": {"pro_comp_id": 85, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_9_lig_smina_out.mol2", "protac_path": "85_protac.mol2", "smiles": "CCN(CCCCCCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)C1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C)CCOC1=CC=C(CN2C(C3=CC=C(O)C=C3)=C(C)C3=CC(O)=CC=C32)C=C1", "label": -1}, "123": {"pro_comp_id": 86, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_10_lig_smina_out.mol2", "protac_path": "86_protac.mol2", "smiles": "CCN(CCCCCCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)C1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C)CCOC1=CC=C([C@@H]2C3=CC=C(O)C=C3CC[C@@H]2C2=CC=CC=C2)C=C1", "label": -1}, "124": {"pro_comp_id": 87, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "87_protac.mol2", "smiles": "CCN(CCCCCCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C)CCOC1=CC=C(C(=O)C2=C(C3=CC=C(O)C=C3)SC3=CC(O)=CC=C23)C=C1", "label": -1}, "125": {"pro_comp_id": 88, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_17_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "88_protac.mol2", "smiles": "CCN(CCCCCCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)C1=CC=C(Cl)C=C1)C(C)(C)C)CCOC1=CC=C(C(=O)C2=C(C3=CC=C(O)C=C3)SC3=CC(O)=CC=C23)C=C1", "label": -1}, "126": {"pro_comp_id": 89, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_18_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "89_protac.mol2", "smiles": "CCN(CCCCCCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)C1=CC=C(C#N)C=C1)C(C)(C)C)CCOC1=CC=C(C(=O)C2=C(C3=CC=C(O)C=C3)SC3=CC(O)=CC=C23)C=C1", "label": -1}, "127": {"pro_comp_id": 90, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_19_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "90_protac.mol2", "smiles": "C#CC1=CC=C([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCN(CC)CCOC2=CC=C(C(=O)C3=C(C4=CC=C(O)C=C4)SC4=CC(O)=CC=C34)C=C2)C(C)(C)C)C=C1", "label": -1}, "128": {"pro_comp_id": 91, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_20_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "91_protac.mol2", "smiles": "CCN(CCCCCCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)C1=CC=C(C2CC2)C=C1)C(C)(C)C)CCOC1=CC=C(C(=O)C2=C(C3=CC=C(O)C=C3)SC3=CC(O)=CC=C23)C=C1", "label": -1}, "129": {"pro_comp_id": 92, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_21_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "92_protac.mol2", "smiles": "CCN(CCCCCCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)C1=CC=C(C(C)C)C=C1)C(C)(C)C)CCOC1=CC=C(C(=O)C2=C(C3=CC=C(O)C=C3)SC3=CC(O)=CC=C23)C=C1", "label": -1}, "130": {"pro_comp_id": 93, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_22_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "93_protac.mol2", "smiles": "CCN(CCCCCCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)C1=CC=C(C(C)(C)C)C=C1)C(C)(C)C)CCOC1=CC=C(C(=O)C2=C(C3=CC=C(O)C=C3)SC3=CC(O)=CC=C23)C=C1", "label": -1}, "131": {"pro_comp_id": 94, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "94_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCNC(=O)C3=CC=C(N4C(=S)N(C5=CC=C(C#N)C(C(F)(F)F)=C5)C(=O)C4(C)C)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": 0}, "132": {"pro_comp_id": 95, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "95_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCNC(=O)C3=CC=C(N4C(=S)N(C5=CC=C(C#N)C(C(F)(F)F)=C5)C(=O)C4(C)C)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": 0}, "133": {"pro_comp_id": 96, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "96_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCNC(=O)C3=CC=C(N4C(=S)N(C5=CC=C(C#N)C(C(F)(F)F)=C5)C(=O)C4(C)C)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": 0}, "134": {"pro_comp_id": 97, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "97_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCNC(=O)C3=CC=C(N4C(=S)N(C5=CC=C(C#N)C(C(F)(F)F)=C5)C(=O)C4(C)C)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": 0}, "135": {"pro_comp_id": 98, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "98_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCNC(=O)C3=CC=C(N4C(=S)N(C5=CC=C(C#N)C(C(F)(F)F)=C5)C(=O)C4(C)C)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": 0}, "136": {"pro_comp_id": 99, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "99_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCNC(=O)C3=CC=C(N4C(=S)N(C5=CC=C(C#N)C(C(F)(F)F)=C5)C(=O)C4(C)C)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": 0}, "137": {"pro_comp_id": 100, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "100_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCNC(=O)C3=CC=C(N4C(=S)N(C5=CC=C(C#N)C(C(F)(F)F)=C5)C(=O)C4(C)C)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": 0}, "138": {"pro_comp_id": 101, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "101_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCNC(=O)C3=CC=C(N4C(=S)N(C5=CC=C(C#N)C(C(F)(F)F)=C5)C(=O)C4(C)C)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": 0}, "139": {"pro_comp_id": 102, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "102_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNC(=O)C3=CC=C(N4C(=S)N(C5=CC=C(C#N)C(C(F)(F)F)=C5)C(=O)C4(C)C)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": 0}, "140": {"pro_comp_id": 103, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "103_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCNC(=O)C3=CC=C(N4C(=S)N(C5=CC=C(C#N)C(C(F)(F)F)=C5)C(=O)C4(C)C)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": 0}, "141": {"pro_comp_id": 104, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "104_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCNC(=O)C3=CC=C(N4C(=S)N(C5=CC=C(C#N)C(C(F)(F)F)=C5)C(=O)C4(C)C)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": 0}, "142": {"pro_comp_id": 105, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "105_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCC3=CC=C(C#CC4=CC=C(N5C(=S)N(C6=CC=C(C#N)C(C(F)(F)F)=C6)C(=O)C5(C)C)C=C4)C=N3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "143": {"pro_comp_id": 106, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "106_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCN3CCN(C4=CC=C(C#CC5=CC=C(N6C(=S)N(C7=CC=C(C#N)C(C(F)(F)F)=C7)C(=O)C6(C)C)C=C5)C=N4)CC3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "144": {"pro_comp_id": 107, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "107_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCN3CCN(C4=CC=C(C#CC5=CC=C(N6C(=S)N(C7=CC=C(C#N)C(C(F)(F)F)=C7)C(=O)C6(C)C)C=C5)C=N4)CC3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "145": {"pro_comp_id": 108, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "108_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCN3CCN(C4=CC=C(C#CC5=CC=C(N6C(=S)N(C7=CC=C(C#N)C(C(F)(F)F)=C7)C(=O)C6(C)C)C=C5)C=N4)CC3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "146": {"pro_comp_id": 109, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "109_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCN3CCN(C4=CC=C(C#CC5=CC=C(N6C(=S)N(C7=CC=C(C#N)C(C(F)(F)F)=C7)C(=O)C6(C)C)C=C5)C=N4)CC3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "147": {"pro_comp_id": 110, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "110_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CN3CCN(C4=CC=C(C#CC5=CC=C(N6C(=S)N(C7=CC=C(C#N)C(C(F)(F)F)=C7)C(=O)C6(C)C)C=C5)C=N4)CC3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "148": {"pro_comp_id": 111, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "111_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)N3CCN(C4=CC=C(C#CC5=CC=C(N6C(=S)N(C7=CC=C(C#N)C(C(F)(F)F)=C7)C(=O)C6(C)C)C=C5)C=N4)CC3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "149": {"pro_comp_id": 112, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_24_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "112_protac.mol2", "smiles": "CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)NCCCCCCCCCNC(=O)C2=CC=C(N3C(=S)N(C4=CC=C(C#N)C(C(F)(F)F)=C4)C(=O)C3(C)C)C=C2F)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1", "label": 0}, "150": {"pro_comp_id": 113, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_24_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "113_protac.mol2", "smiles": "CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)NCCCN2CCN(C3=CC=C(C#CC4=CC=C(N5C(=S)N(C6=CC=C(C#N)C(C(F)(F)F)=C6)C(=O)C5(C)C)C=C4)C=N3)CC2)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1", "label": 0}, "151": {"pro_comp_id": 114, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "114_protac.mol2", "smiles": "CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCN(C3=CC=C(C#CC4=CC=C(N5C(=S)N(C6=CC=C(C#N)C(C(F)(F)F)=C6)C(=O)C5(C)C)C=C4)C=N3)CC2)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1", "label": 0}, "152": {"pro_comp_id": 115, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "115_protac.mol2", "smiles": "CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCC(N3CCC(C#CC4=CC=C(N5C(=S)N(C6=CC=C(C#N)C(C(F)(F)F)=C6)C(=O)C5(C)C)C=C4)CC3)CC2)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1", "label": 1}, "153": {"pro_comp_id": 116, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_12_lig_smina_out.mol2", "protac_path": "116_protac.mol2", "smiles": "CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCC(N3CCC(C#CC4=CC=C(N5C(=S)N(C6=CN=C(C#N)C(C(F)(F)F)=C6)C(=O)C56CCC6)C=C4)CC3)CC2)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1", "label": 1}, "154": {"pro_comp_id": 117, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_13_lig_smina_out.mol2", "protac_path": "117_protac.mol2", "smiles": "CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCC(N3CCC(C#CC4=CC=C(S(=O)CC(C)(O)C(=O)NC5=CC=C(C#N)C(C(F)(F)F)=C5)C=C4)CC3)CC2)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1", "label": 0}, "155": {"pro_comp_id": 118, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "118_protac.mol2", "smiles": "CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCC(N3CCC(C#CC4=CC=C(C(=O)N[C@H]5C(C)(C)[C@H](OC6=CC=C(C#N)C(Cl)=C6)C5(C)C)C=C4)CC3)CC2)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1", "label": 1}, "156": {"pro_comp_id": 118, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "118_protac.mol2", "smiles": "CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCC(N3CCC(C#CC4=CC=C(C(=O)N[C@H]5C(C)(C)[C@H](OC6=CC=C(C#N)C(Cl)=C6)C5(C)C)C=C4)CC3)CC2)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1", "label": 1}, "157": {"pro_comp_id": 119, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_15_lig_smina_out.mol2", "protac_path": "119_protac.mol2", "smiles": "CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCC(N3CCC(C#CC4=CC=C(CC5=C(C)N(C6=CC=C(C#N)C(Cl)=C6)N=C5C)C=C4)CC3)CC2)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1", "label": 0}, "158": {"pro_comp_id": 120, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_25_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "120_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](CC(=O)N3CCC(N4CCC(C#CC5=CC=C(C(=O)N[C@H]6C(C)(C)[C@H](OC7=CC=C(C#N)C(Cl)=C7)C6(C)C)C=C5)CC4)CC3)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "159": {"pro_comp_id": 121, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_26_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "121_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](CC(=O)N3CCC(N4CCC(C#CC5=CC=C(C(=O)N[C@H]6C(C)(C)[C@H](OC7=CC=C(C#N)C(Cl)=C7)C6(C)C)C=C5)CC4)CC3)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(C#N)CC3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "160": {"pro_comp_id": 122, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_23_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "122_protac.mol2", "smiles": "CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CC(=O)N1CCC(N2CCC(C#CC3=CC=C(C(=O)N[C@H]4C(C)(C)[C@H](OC5=CC=C(C#N)C(Cl)=C5)C4(C)C)C=C3)CC2)CC1)C1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C", "label": 0}, "161": {"pro_comp_id": 123, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_27_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "123_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@@H](CC(=O)N3CCC(N4CCC(C#CC5=CC=C(C(=O)N[C@H]6C(C)(C)[C@H](OC7=CC=C(C#N)C(Cl)=C7)C6(C)C)C=C5)CC4)CC3)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "162": {"pro_comp_id": 124, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_28_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "124_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](CC(=O)N3CCC(N4CCC(C#CC5=CC=C(C(=O)N[C@H]6C(C)(C)[C@H](OC7=CC=C(C#N)C(Cl)=C7)C6(C)C)C=C5)CC4)CC3)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](NC(=O)C3(F)CC3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "163": {"pro_comp_id": 125, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_24_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "125_protac.mol2", "smiles": "CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)NCCCCCCCCCNC(=O)C2=CC=C(C(=O)N[C@H]3C(C)(C)[C@H](OC4=CC=C(C#N)C(Cl)=C4)C3(C)C)C=C2)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1", "label": 1}, "164": {"pro_comp_id": 126, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "126_protac.mol2", "smiles": "CC1(C)[C@H](NC(=O)C2=CC=C(C(=O)NCCCCCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1", "label": 0}, "165": {"pro_comp_id": 127, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "127_protac.mol2", "smiles": "CC1(C)[C@H](NC(=O)C2=CC=C(C#CC3CCN(C4CCN(C5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1", "label": 0}, "166": {"pro_comp_id": 128, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD2_P25440_16_lig_smina_out.mol2", "protac_path": "128_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "167": {"pro_comp_id": 128, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD3_Q15059_16_lig_smina_out.mol2", "protac_path": "128_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "168": {"pro_comp_id": 128, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_164_lig_smina_out.mol2", "protac_path": "128_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "169": {"pro_comp_id": 129, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD2_P25440_16_lig_smina_out.mol2", "protac_path": "129_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCNC(=O)CNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "170": {"pro_comp_id": 129, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD3_Q15059_16_lig_smina_out.mol2", "protac_path": "129_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCNC(=O)CNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "171": {"pro_comp_id": 129, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_164_lig_smina_out.mol2", "protac_path": "129_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCNC(=O)CNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "172": {"pro_comp_id": 130, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD2_P25440_16_lig_smina_out.mol2", "protac_path": "130_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "173": {"pro_comp_id": 130, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD3_Q15059_16_lig_smina_out.mol2", "protac_path": "130_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "174": {"pro_comp_id": 130, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_164_lig_smina_out.mol2", "protac_path": "130_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "175": {"pro_comp_id": 131, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD2_P25440_16_lig_smina_out.mol2", "protac_path": "131_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "176": {"pro_comp_id": 131, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD3_Q15059_16_lig_smina_out.mol2", "protac_path": "131_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "177": {"pro_comp_id": 131, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_164_lig_smina_out.mol2", "protac_path": "131_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "178": {"pro_comp_id": 132, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD2_P25440_16_lig_smina_out.mol2", "protac_path": "132_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "179": {"pro_comp_id": 132, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD3_Q15059_16_lig_smina_out.mol2", "protac_path": "132_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "180": {"pro_comp_id": 132, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_164_lig_smina_out.mol2", "protac_path": "132_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "181": {"pro_comp_id": 133, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD2_P25440_16_lig_smina_out.mol2", "protac_path": "133_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "182": {"pro_comp_id": 133, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD3_Q15059_16_lig_smina_out.mol2", "protac_path": "133_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "183": {"pro_comp_id": 133, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_164_lig_smina_out.mol2", "protac_path": "133_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "184": {"pro_comp_id": 134, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD2_P25440_16_lig_smina_out.mol2", "protac_path": "134_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "185": {"pro_comp_id": 134, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD3_Q15059_16_lig_smina_out.mol2", "protac_path": "134_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "186": {"pro_comp_id": 134, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_164_lig_smina_out.mol2", "protac_path": "134_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "187": {"pro_comp_id": 135, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD2_P25440_16_lig_smina_out.mol2", "protac_path": "135_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "188": {"pro_comp_id": 135, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD3_Q15059_16_lig_smina_out.mol2", "protac_path": "135_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "189": {"pro_comp_id": 135, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_164_lig_smina_out.mol2", "protac_path": "135_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "190": {"pro_comp_id": 136, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD2_P25440_16_lig_smina_out.mol2", "protac_path": "136_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "191": {"pro_comp_id": 136, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD3_Q15059_16_lig_smina_out.mol2", "protac_path": "136_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "192": {"pro_comp_id": 136, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_164_lig_smina_out.mol2", "protac_path": "136_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "193": {"pro_comp_id": 137, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD2_P25440_16_lig_smina_out.mol2", "protac_path": "137_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCCC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "194": {"pro_comp_id": 137, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD3_Q15059_16_lig_smina_out.mol2", "protac_path": "137_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCCC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "195": {"pro_comp_id": 137, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_164_lig_smina_out.mol2", "protac_path": "137_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCCC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "196": {"pro_comp_id": 138, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD2_P25440_16_lig_smina_out.mol2", "protac_path": "138_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCOCCCC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "197": {"pro_comp_id": 138, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD3_Q15059_16_lig_smina_out.mol2", "protac_path": "138_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCOCCCC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "198": {"pro_comp_id": 138, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_164_lig_smina_out.mol2", "protac_path": "138_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCOCCCC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "199": {"pro_comp_id": 139, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD2_P25440_16_lig_smina_out.mol2", "protac_path": "139_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "200": {"pro_comp_id": 139, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD3_Q15059_16_lig_smina_out.mol2", "protac_path": "139_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "201": {"pro_comp_id": 139, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_164_lig_smina_out.mol2", "protac_path": "139_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "202": {"pro_comp_id": 140, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD2_P25440_16_lig_smina_out.mol2", "protac_path": "140_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCCC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "203": {"pro_comp_id": 140, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD3_Q15059_16_lig_smina_out.mol2", "protac_path": "140_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCCC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "204": {"pro_comp_id": 140, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_164_lig_smina_out.mol2", "protac_path": "140_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCCC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "205": {"pro_comp_id": 141, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD2_P25440_16_lig_smina_out.mol2", "protac_path": "141_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCOCCCC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "206": {"pro_comp_id": 141, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD3_Q15059_16_lig_smina_out.mol2", "protac_path": "141_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCOCCCC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "207": {"pro_comp_id": 141, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_164_lig_smina_out.mol2", "protac_path": "141_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCOCCCC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "208": {"pro_comp_id": 142, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD2_P25440_134_lig_smina_out.mol2", "protac_path": "142_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "209": {"pro_comp_id": 142, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD3_Q15059_134_lig_smina_out.mol2", "protac_path": "142_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "210": {"pro_comp_id": 142, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_134_lig_smina_out.mol2", "protac_path": "142_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "211": {"pro_comp_id": 142, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD2_P25440_134_lig_smina_out.mol2", "protac_path": "142_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "212": {"pro_comp_id": 142, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD3_Q15059_134_lig_smina_out.mol2", "protac_path": "142_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "213": {"pro_comp_id": 142, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_134_lig_smina_out.mol2", "protac_path": "142_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "214": {"pro_comp_id": 142, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD2_P25440_134_lig_smina_out.mol2", "protac_path": "142_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "215": {"pro_comp_id": 142, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD3_Q15059_134_lig_smina_out.mol2", "protac_path": "142_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "216": {"pro_comp_id": 142, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_134_lig_smina_out.mol2", "protac_path": "142_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "217": {"pro_comp_id": 143, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD2_P25440_16_lig_smina_out.mol2", "protac_path": "143_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "218": {"pro_comp_id": 143, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD3_Q15059_16_lig_smina_out.mol2", "protac_path": "143_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "219": {"pro_comp_id": 143, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_164_lig_smina_out.mol2", "protac_path": "143_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "220": {"pro_comp_id": 144, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD2_P25440_16_lig_smina_out.mol2", "protac_path": "144_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "221": {"pro_comp_id": 144, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD3_Q15059_16_lig_smina_out.mol2", "protac_path": "144_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "222": {"pro_comp_id": 144, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_164_lig_smina_out.mol2", "protac_path": "144_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "223": {"pro_comp_id": 145, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD2_P25440_17_lig_smina_out.mol2", "protac_path": "145_protac.mol2", "smiles": "COC1=CC2=C(C=C1C1=C(C)ON=C1C)[NH]C1=NC(C(=O)NCCCCCC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)=NC=C12", "label": -1}, "224": {"pro_comp_id": 145, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD3_Q15059_17_lig_smina_out.mol2", "protac_path": "145_protac.mol2", "smiles": "COC1=CC2=C(C=C1C1=C(C)ON=C1C)[NH]C1=NC(C(=O)NCCCCCC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)=NC=C12", "label": -1}, "225": {"pro_comp_id": 145, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_17_lig_smina_out.mol2", "protac_path": "145_protac.mol2", "smiles": "COC1=CC2=C(C=C1C1=C(C)ON=C1C)[NH]C1=NC(C(=O)NCCCCCC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)=NC=C12", "label": -1}, "226": {"pro_comp_id": 146, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "146_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCN1C=C(COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N1)N=C2C1=CC=C(Cl)C=C1", "label": 0}, "227": {"pro_comp_id": 147, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "147_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCN1C=C(COCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N1)N=C2C1=CC=C(Cl)C=C1", "label": 0}, "228": {"pro_comp_id": 148, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "148_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCN1C=C(COCCOCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N1)N=C2C1=CC=C(Cl)C=C1", "label": 0}, "229": {"pro_comp_id": 149, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "149_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCN1C=C(COCCOCCOCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N1)N=C2C1=CC=C(Cl)C=C1", "label": 0}, "230": {"pro_comp_id": 150, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "150_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCN1C=C(COCCOCCOCCOCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N1)N=C2C1=CC=C(Cl)C=C1", "label": 0}, "231": {"pro_comp_id": 151, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "151_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCC3=CN(CCNC(=O)C[C@@H]4N=C(C5=CC=C(Cl)C=C5)C5=C(SC(C)=C5C)N5C(C)=NN=C45)N=N3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "232": {"pro_comp_id": 151, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "151_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCC3=CN(CCNC(=O)C[C@@H]4N=C(C5=CC=C(Cl)C=C5)C5=C(SC(C)=C5C)N5C(C)=NN=C45)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "233": {"pro_comp_id": 152, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "152_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCC3=CN(CCNC(=O)C[C@@H]4N=C(C5=CC=C(Cl)C=C5)C5=C(SC(C)=C5C)N5C(C)=NN=C45)N=N3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "234": {"pro_comp_id": 152, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "152_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCC3=CN(CCNC(=O)C[C@@H]4N=C(C5=CC=C(Cl)C=C5)C5=C(SC(C)=C5C)N5C(C)=NN=C45)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "235": {"pro_comp_id": 153, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "153_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCC3=CN(CCNC(=O)C[C@@H]4N=C(C5=CC=C(Cl)C=C5)C5=C(SC(C)=C5C)N5C(C)=NN=C45)N=N3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "236": {"pro_comp_id": 153, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "153_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCC3=CN(CCNC(=O)C[C@@H]4N=C(C5=CC=C(Cl)C=C5)C5=C(SC(C)=C5C)N5C(C)=NN=C45)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "237": {"pro_comp_id": 154, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "154_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCC3=CN(CCNC(=O)C[C@@H]4N=C(C5=CC=C(Cl)C=C5)C5=C(SC(C)=C5C)N5C(C)=NN=C45)N=N3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "238": {"pro_comp_id": 154, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "154_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCC3=CN(CCNC(=O)C[C@@H]4N=C(C5=CC=C(Cl)C=C5)C5=C(SC(C)=C5C)N5C(C)=NN=C45)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "239": {"pro_comp_id": 155, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "155_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCC3=CN(CCNC(=O)C[C@@H]4N=C(C5=CC=C(Cl)C=C5)C5=C(SC(C)=C5C)N5C(C)=NN=C45)N=N3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "240": {"pro_comp_id": 155, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "155_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCC3=CN(CCNC(=O)C[C@@H]4N=C(C5=CC=C(Cl)C=C5)C5=C(SC(C)=C5C)N5C(C)=NN=C45)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "241": {"pro_comp_id": 156, "tar_path": "SIR2_Q8IXJ6.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "SIRT2_Q8IXJ6_19_lig_smina_out.mol2", "protac_path": "156_protac.mol2", "smiles": "CC1=CC(C)=NC(SCC(=O)NC2=NC=C(CC3=CC=CC(OCC4=CN(CCCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)=C3)S2)=N1", "label": -1}, "242": {"pro_comp_id": 157, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD2_P25440_200_lig_smina_out.mol2", "protac_path": "157_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "243": {"pro_comp_id": 157, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD3_Q15059_200_lig_smina_out.mol2", "protac_path": "157_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "244": {"pro_comp_id": 157, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_200_lig_smina_out.mol2", "protac_path": "157_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "245": {"pro_comp_id": 158, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD2_P25440_200_lig_smina_out.mol2", "protac_path": "158_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "246": {"pro_comp_id": 158, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD3_Q15059_200_lig_smina_out.mol2", "protac_path": "158_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "247": {"pro_comp_id": 158, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_200_lig_smina_out.mol2", "protac_path": "158_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "248": {"pro_comp_id": 159, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD2_P25440_200_lig_smina_out.mol2", "protac_path": "159_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "249": {"pro_comp_id": 159, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD3_Q15059_200_lig_smina_out.mol2", "protac_path": "159_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "250": {"pro_comp_id": 159, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_200_lig_smina_out.mol2", "protac_path": "159_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "251": {"pro_comp_id": 159, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD2_P25440_200_lig_smina_out.mol2", "protac_path": "159_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "252": {"pro_comp_id": 159, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD3_Q15059_200_lig_smina_out.mol2", "protac_path": "159_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "253": {"pro_comp_id": 159, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_200_lig_smina_out.mol2", "protac_path": "159_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "254": {"pro_comp_id": 159, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD2_P25440_200_lig_smina_out.mol2", "protac_path": "159_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "255": {"pro_comp_id": 159, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD2_P25440_200_lig_smina_out.mol2", "protac_path": "159_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "256": {"pro_comp_id": 159, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD3_Q15059_200_lig_smina_out.mol2", "protac_path": "159_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "257": {"pro_comp_id": 159, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD3_Q15059_200_lig_smina_out.mol2", "protac_path": "159_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "258": {"pro_comp_id": 159, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_200_lig_smina_out.mol2", "protac_path": "159_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "259": {"pro_comp_id": 159, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_200_lig_smina_out.mol2", "protac_path": "159_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "260": {"pro_comp_id": 160, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD2_P25440_200_lig_smina_out.mol2", "protac_path": "160_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "261": {"pro_comp_id": 160, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD3_Q15059_200_lig_smina_out.mol2", "protac_path": "160_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "262": {"pro_comp_id": 160, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_200_lig_smina_out.mol2", "protac_path": "160_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "263": {"pro_comp_id": 161, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD2_P25440_200_lig_smina_out.mol2", "protac_path": "161_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "264": {"pro_comp_id": 161, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD3_Q15059_200_lig_smina_out.mol2", "protac_path": "161_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "265": {"pro_comp_id": 161, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_200_lig_smina_out.mol2", "protac_path": "161_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "266": {"pro_comp_id": 162, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD2_P25440_200_lig_smina_out.mol2", "protac_path": "162_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "267": {"pro_comp_id": 162, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD3_Q15059_200_lig_smina_out.mol2", "protac_path": "162_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "268": {"pro_comp_id": 162, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_200_lig_smina_out.mol2", "protac_path": "162_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "269": {"pro_comp_id": 163, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD2_P25440_200_lig_smina_out.mol2", "protac_path": "163_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCCNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "270": {"pro_comp_id": 163, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD3_Q15059_200_lig_smina_out.mol2", "protac_path": "163_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCCNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "271": {"pro_comp_id": 163, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_200_lig_smina_out.mol2", "protac_path": "163_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCCNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "272": {"pro_comp_id": 164, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD2_P25440_200_lig_smina_out.mol2", "protac_path": "164_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCCCNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "273": {"pro_comp_id": 164, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD3_Q15059_200_lig_smina_out.mol2", "protac_path": "164_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCCCNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "274": {"pro_comp_id": 164, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_200_lig_smina_out.mol2", "protac_path": "164_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCCCNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "275": {"pro_comp_id": 165, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD2_P25440_200_lig_smina_out.mol2", "protac_path": "165_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "276": {"pro_comp_id": 165, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD3_Q15059_200_lig_smina_out.mol2", "protac_path": "165_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "277": {"pro_comp_id": 165, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_200_lig_smina_out.mol2", "protac_path": "165_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "278": {"pro_comp_id": 166, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD2_P25440_200_lig_smina_out.mol2", "protac_path": "166_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "279": {"pro_comp_id": 166, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD3_Q15059_200_lig_smina_out.mol2", "protac_path": "166_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "280": {"pro_comp_id": 166, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_200_lig_smina_out.mol2", "protac_path": "166_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "281": {"pro_comp_id": 167, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD2_P25440_200_lig_smina_out.mol2", "protac_path": "167_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCCC#CC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "282": {"pro_comp_id": 167, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD3_Q15059_200_lig_smina_out.mol2", "protac_path": "167_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCCC#CC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "283": {"pro_comp_id": 167, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_200_lig_smina_out.mol2", "protac_path": "167_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCCC#CC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "284": {"pro_comp_id": 168, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_21_lig_smina_out.mol2", "protac_path": "168_protac.mol2", "smiles": "NC(=O)C1=CC=CC2=CN(C3=CC=C(C4=CN(CCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)C=C3)N=C12", "label": -1}, "285": {"pro_comp_id": 169, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PARP1_P09874_21_lig_smina_out.mol2", "protac_path": "169_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@H]3C[C@H](O)CN3C(=O)C(NC(=O)CCC(=O)NCCOCCOCCOCCN3C=C(C4=CC=C(N5C=C6C=CC=C(C(N)=O)C6=N5)C=C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "286": {"pro_comp_id": 170, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_9_lig_smina_out.mol2", "war_path": "PARP1_P09874_21_lig_smina_out.mol2", "protac_path": "170_protac.mol2", "smiles": "COC1=CC=C(C2=NC(C3=CC=C(Cl)C=C3)C(C3=CC=C(Cl)C=C3)N2C(=O)N2CCN(CC(=O)NCCOCCOCCOCCOCCN3C=C(C4=CC=C(N5C=C6C=CC=C(C(N)=O)C6=N5)C=C4)N=N3)C(=O)C2)C(OC(C)C)=C1", "label": -1}, "287": {"pro_comp_id": 171, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "171_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOCCN4C=C(CCCC(=O)N5CCN(C(=O)C6=CC(CC7=N[NH]C(=O)C8=CC=CC=C78)=CC=C6F)CC5)N=N4)=C3C2=O)C(=O)N1", "label": -1}, "288": {"pro_comp_id": 172, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_9_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "172_protac.mol2", "smiles": "COC1=CC=C(C2=NC(C3=CC=C(Cl)C=C3)C(C3=CC=C(Cl)C=C3)N2C(=O)N2CCN(CC(=O)NCCOCCOCCOCCOCCN3C=C(CCCC(=O)N4CCN(C(=O)C5=CC(CC6=N[NH]C(=O)C7=CC=CC=C67)=CC=C5F)CC4)N=N3)C(=O)C2)C(OC(C)C)=C1", "label": -1}, "289": {"pro_comp_id": 173, "tar_path": "CRBN_Q96SW2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CRBN_Q96SW2_23_lig_smina_out.mol2", "protac_path": "173_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C(C)(C)C)C=C2)SC=N1", "label": -1}, "290": {"pro_comp_id": 174, "tar_path": "CRBN_Q96SW2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CRBN_Q96SW2_23_lig_smina_out.mol2", "protac_path": "174_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C(C)(C)C)C=C2)SC=N1", "label": 0}, "291": {"pro_comp_id": 175, "tar_path": "CRBN_Q96SW2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CRBN_Q96SW2_23_lig_smina_out.mol2", "protac_path": "175_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C(C)(C)C)C=C2)SC=N1", "label": -1}, "292": {"pro_comp_id": 176, "tar_path": "CRBN_Q96SW2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CRBN_Q96SW2_23_lig_smina_out.mol2", "protac_path": "176_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCOCCCCCOCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C(C)(C)C)C=C2)SC=N1", "label": 1}, "293": {"pro_comp_id": 177, "tar_path": "CRBN_Q96SW2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CRBN_Q96SW2_23_lig_smina_out.mol2", "protac_path": "177_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCOCCCCCCOCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C(C)(C)C)C=C2)SC=N1", "label": -1}, "294": {"pro_comp_id": 178, "tar_path": "CRBN_Q96SW2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CRBN_Q96SW2_23_lig_smina_out.mol2", "protac_path": "178_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCOCCCCOCCCCOCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C(C)(C)C)C=C2)SC=N1", "label": -1}, "295": {"pro_comp_id": 179, "tar_path": "CRBN_Q96SW2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CRBN_Q96SW2_23_lig_smina_out.mol2", "protac_path": "179_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCOCCOCCOCCOCCOCCOCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C(C)(C)C)C=C2)SC=N1", "label": -1}, "296": {"pro_comp_id": 180, "tar_path": "CRBN_Q96SW2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CRBN_Q96SW2_23_lig_smina_out.mol2", "protac_path": "180_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCOCCCCOCCCCOCCCCOCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C(C)(C)C)C=C2)SC=N1", "label": -1}, "297": {"pro_comp_id": 181, "tar_path": "p38alpha_Q16539.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "p38alpha_Q16539_40_lig_smina_out.mol2", "protac_path": "181_protac.mol2", "smiles": "COC1=CC2=C(OC3=CC=C(NC(=O)C4(C(=O)NC5=CC=C(F)C=C5)CC4)C=C3F)C=CN=C2C=C1OCCOCCOCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C", "label": 1}, "298": {"pro_comp_id": 181, "tar_path": "p38delta_O15264.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "p38delta_O15264_40_lig_smina_out.mol2", "protac_path": "181_protac.mol2", "smiles": "COC1=CC2=C(OC3=CC=C(NC(=O)C4(C(=O)NC5=CC=C(F)C=C5)CC4)C=C3F)C=CN=C2C=C1OCCOCCOCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C", "label": 1}, "299": {"pro_comp_id": 182, "tar_path": "p38alpha_Q16539.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "p38alpha_Q16539_40_lig_smina_out.mol2", "protac_path": "182_protac.mol2", "smiles": "COC1=CC2=C(OC3=CC=C(NC(=O)C4(C(=O)NC5=CC=C(F)C=C5)CC4)C=C3F)C=CN=C2C=C1OCCCOCCOCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C", "label": 1}, "300": {"pro_comp_id": 182, "tar_path": "p38delta_O15264.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "p38delta_O15264_40_lig_smina_out.mol2", "protac_path": "182_protac.mol2", "smiles": "COC1=CC2=C(OC3=CC=C(NC(=O)C4(C(=O)NC5=CC=C(F)C=C5)CC4)C=C3F)C=CN=C2C=C1OCCCOCCOCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C", "label": 1}, "301": {"pro_comp_id": 183, "tar_path": "c-Met_P08581.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "c-Met_P08581_408_lig_smina_out.mol2", "protac_path": "183_protac.mol2", "smiles": "COC1=CC2=C(OC3=CC=C(NC(=O)C4(C(=O)NC5=CC=C(F)C=C5)CC4)C=C3F)C=CN=C2C=C1OCCCOCCCOCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C", "label": -1}, "302": {"pro_comp_id": 183, "tar_path": "c-Met_P08581.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "c-Met_P08581_408_lig_smina_out.mol2", "protac_path": "183_protac.mol2", "smiles": "COC1=CC2=C(OC3=CC=C(NC(=O)C4(C(=O)NC5=CC=C(F)C=C5)CC4)C=C3F)C=CN=C2C=C1OCCCOCCCOCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C", "label": -1}, "303": {"pro_comp_id": 183, "tar_path": "p38delta_O15264.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "p38delta_O15264_40_lig_smina_out.mol2", "protac_path": "183_protac.mol2", "smiles": "COC1=CC2=C(OC3=CC=C(NC(=O)C4(C(=O)NC5=CC=C(F)C=C5)CC4)C=C3F)C=CN=C2C=C1OCCCOCCCOCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C", "label": -1}, "304": {"pro_comp_id": 183, "tar_path": "RIPK2_O43353.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "RIPK2_O43353_40_lig_smina_out.mol2", "protac_path": "183_protac.mol2", "smiles": "COC1=CC2=C(OC3=CC=C(NC(=O)C4(C(=O)NC5=CC=C(F)C=C5)CC4)C=C3F)C=CN=C2C=C1OCCCOCCCOCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C", "label": -1}, "305": {"pro_comp_id": 183, "tar_path": "p38alpha_Q16539.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "p38alpha_Q16539_40_lig_smina_out.mol2", "protac_path": "183_protac.mol2", "smiles": "COC1=CC2=C(OC3=CC=C(NC(=O)C4(C(=O)NC5=CC=C(F)C=C5)CC4)C=C3F)C=CN=C2C=C1OCCCOCCCOCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C", "label": 0}, "306": {"pro_comp_id": 183, "tar_path": "p38alpha_Q16539.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "p38alpha_Q16539_40_lig_smina_out.mol2", "protac_path": "183_protac.mol2", "smiles": "COC1=CC2=C(OC3=CC=C(NC(=O)C4(C(=O)NC5=CC=C(F)C=C5)CC4)C=C3F)C=CN=C2C=C1OCCCOCCCOCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C", "label": 0}, "307": {"pro_comp_id": 183, "tar_path": "p38delta_O15264.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "p38delta_O15264_40_lig_smina_out.mol2", "protac_path": "183_protac.mol2", "smiles": "COC1=CC2=C(OC3=CC=C(NC(=O)C4(C(=O)NC5=CC=C(F)C=C5)CC4)C=C3F)C=CN=C2C=C1OCCCOCCCOCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C", "label": 0}, "308": {"pro_comp_id": 184, "tar_path": "p38alpha_Q16539.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "p38alpha_Q16539_40_lig_smina_out.mol2", "protac_path": "184_protac.mol2", "smiles": "COC1=CC2=C(OC3=CC=C(NC(=O)C4(C(=O)NC5=CC=C(F)C=C5)CC4)C=C3F)C=CN=C2C=C1OCCCCOCCCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C", "label": 1}, "309": {"pro_comp_id": 184, "tar_path": "p38delta_O15264.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "p38delta_O15264_40_lig_smina_out.mol2", "protac_path": "184_protac.mol2", "smiles": "COC1=CC2=C(OC3=CC=C(NC(=O)C4(C(=O)NC5=CC=C(F)C=C5)CC4)C=C3F)C=CN=C2C=C1OCCCCOCCCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C", "label": 0}, "310": {"pro_comp_id": 185, "tar_path": "p38alpha_Q16539.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_29_lig_smina_out.mol2", "war_path": "p38alpha_Q16539_40_lig_smina_out.mol2", "protac_path": "185_protac.mol2", "smiles": "COC1=CC2=C(OC3=CC=C(NC(=O)C4(C(=O)NC5=CC=C(F)C=C5)CC4)C=C3F)C=CN=C2C=C1OCCOCCOCCOC1=CC(C2=C(C)N=CS2)=CC=C1CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](C(C)C)N1CC2=CC=CC=C2C1=O", "label": 0}, "311": {"pro_comp_id": 185, "tar_path": "p38delta_O15264.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_29_lig_smina_out.mol2", "war_path": "p38delta_O15264_40_lig_smina_out.mol2", "protac_path": "185_protac.mol2", "smiles": "COC1=CC2=C(OC3=CC=C(NC(=O)C4(C(=O)NC5=CC=C(F)C=C5)CC4)C=C3F)C=CN=C2C=C1OCCOCCOCCOC1=CC(C2=C(C)N=CS2)=CC=C1CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](C(C)C)N1CC2=CC=CC=C2C1=O", "label": 1}, "312": {"pro_comp_id": 186, "tar_path": "p38alpha_Q16539.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_29_lig_smina_out.mol2", "war_path": "p38alpha_Q16539_40_lig_smina_out.mol2", "protac_path": "186_protac.mol2", "smiles": "COC1=CC2=C(OC3=CC=C(NC(=O)C4(C(=O)NC5=CC=C(F)C=C5)CC4)C=C3F)C=CN=C2C=C1OCCCCOCCCCOC1=CC(C2=C(C)N=CS2)=CC=C1CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](C(C)C)N1CC2=CC=CC=C2C1=O", "label": 0}, "313": {"pro_comp_id": 186, "tar_path": "p38delta_O15264.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_29_lig_smina_out.mol2", "war_path": "p38delta_O15264_40_lig_smina_out.mol2", "protac_path": "186_protac.mol2", "smiles": "COC1=CC2=C(OC3=CC=C(NC(=O)C4(C(=O)NC5=CC=C(F)C=C5)CC4)C=C3F)C=CN=C2C=C1OCCCCOCCCCOC1=CC(C2=C(C)N=CS2)=CC=C1CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](C(C)C)N1CC2=CC=CC=C2C1=O", "label": 0}, "314": {"pro_comp_id": 187, "tar_path": "p38alpha_Q16539.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_29_lig_smina_out.mol2", "war_path": "p38alpha_Q16539_40_lig_smina_out.mol2", "protac_path": "187_protac.mol2", "smiles": "COC1=CC2=C(OC3=CC=C(NC(=O)C4(C(=O)NC5=CC=C(F)C=C5)CC4)C=C3F)C=CN=C2C=C1OCCCOCCOCCCOC1=CC(C2=C(C)N=CS2)=CC=C1CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](C(C)C)N1CC2=CC=CC=C2C1=O", "label": 0}, "315": {"pro_comp_id": 187, "tar_path": "p38delta_O15264.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_29_lig_smina_out.mol2", "war_path": "p38delta_O15264_40_lig_smina_out.mol2", "protac_path": "187_protac.mol2", "smiles": "COC1=CC2=C(OC3=CC=C(NC(=O)C4(C(=O)NC5=CC=C(F)C=C5)CC4)C=C3F)C=CN=C2C=C1OCCCOCCOCCCOC1=CC(C2=C(C)N=CS2)=CC=C1CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](C(C)C)N1CC2=CC=CC=C2C1=O", "label": 0}, "316": {"pro_comp_id": 188, "tar_path": "p38alpha_Q16539.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_29_lig_smina_out.mol2", "war_path": "p38alpha_Q16539_40_lig_smina_out.mol2", "protac_path": "188_protac.mol2", "smiles": "COC1=CC2=C(OC3=CC=C(NC(=O)C4(C(=O)NC5=CC=C(F)C=C5)CC4)C=C3F)C=CN=C2C=C1OCCCOCCCOCCCOC1=CC(C2=C(C)N=CS2)=CC=C1CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](C(C)C)N1CC2=CC=CC=C2C1=O", "label": 0}, "317": {"pro_comp_id": 188, "tar_path": "p38delta_O15264.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_29_lig_smina_out.mol2", "war_path": "p38delta_O15264_40_lig_smina_out.mol2", "protac_path": "188_protac.mol2", "smiles": "COC1=CC2=C(OC3=CC=C(NC(=O)C4(C(=O)NC5=CC=C(F)C=C5)CC4)C=C3F)C=CN=C2C=C1OCCCOCCCOCCCOC1=CC(C2=C(C)N=CS2)=CC=C1CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](C(C)C)N1CC2=CC=CC=C2C1=O", "label": 0}, "318": {"pro_comp_id": 189, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "189_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "319": {"pro_comp_id": 189, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "189_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "320": {"pro_comp_id": 190, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "190_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "321": {"pro_comp_id": 191, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "191_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "322": {"pro_comp_id": 192, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "192_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOCCOCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "323": {"pro_comp_id": 193, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "193_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCCOCCOCCOCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "324": {"pro_comp_id": 194, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "194_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCNC1=CC=CC3=C1CN(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1", "label": 1}, "325": {"pro_comp_id": 194, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "194_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCNC1=CC=CC3=C1CN(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1", "label": 1}, "326": {"pro_comp_id": 194, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "194_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCNC1=CC=CC3=C1CN(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1", "label": 1}, "327": {"pro_comp_id": 195, "tar_path": "ERRalpha_P11474.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ERRalpha_P11474_26_lig_smina_out.mol2", "protac_path": "195_protac.mol2", "smiles": "COC1=CC(/C=C(\\C#N)C(=O)NCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1OCC1=CC=C(C(F)(F)F)C=C1C(F)(F)F", "label": 0}, "328": {"pro_comp_id": 196, "tar_path": "ERRalpha_P11474.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ERRalpha_P11474_26_lig_smina_out.mol2", "protac_path": "196_protac.mol2", "smiles": "COC1=CC(/C=C(\\C#N)C(=O)NCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1OCC1=CC=C(C(F)(F)F)C=C1C(F)(F)F", "label": 1}, "329": {"pro_comp_id": 197, "tar_path": "ERRalpha_P11474.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ERRalpha_P11474_26_lig_smina_out.mol2", "protac_path": "197_protac.mol2", "smiles": "COC1=CC(/C=C(\\C#N)C(=O)NCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1OCC1=CC=C(C(F)(F)F)C=C1C(F)(F)F", "label": 1}, "330": {"pro_comp_id": 198, "tar_path": "ERRalpha_P11474.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ERRalpha_P11474_26_lig_smina_out.mol2", "protac_path": "198_protac.mol2", "smiles": "COC1=CC(/C=C(\\C#N)C(=O)NCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1OCC1=CC=C(C(F)(F)F)C=C1C(F)(F)F", "label": 0}, "331": {"pro_comp_id": 199, "tar_path": "ERRalpha_P11474.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ERRalpha_P11474_26_lig_smina_out.mol2", "protac_path": "199_protac.mol2", "smiles": "COC1=CC(/C=C(\\C#N)C(=O)NCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1OCC1=CC=C(C(F)(F)F)C=C1C(F)(F)F", "label": 0}, "332": {"pro_comp_id": 200, "tar_path": "ERRalpha_P11474.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ERRalpha_P11474_26_lig_smina_out.mol2", "protac_path": "200_protac.mol2", "smiles": "COC1=CC(/C=C(\\C#N)C(=O)NCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1OCC1=CC=C(C(F)(F)F)C=C1C(F)(F)F", "label": 0}, "333": {"pro_comp_id": 201, "tar_path": "ERRalpha_P11474.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ERRalpha_P11474_26_lig_smina_out.mol2", "protac_path": "201_protac.mol2", "smiles": "COC1=CC(/C=C(\\C#N)C(=O)NCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1OCC1=CC=C(C(F)(F)F)C=C1C(F)(F)F", "label": 1}, "334": {"pro_comp_id": 202, "tar_path": "ERRalpha_P11474.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ERRalpha_P11474_26_lig_smina_out.mol2", "protac_path": "202_protac.mol2", "smiles": "COC1=CC(/C=C(\\C#N)C(=O)NCCOCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1OCC1=CC=C(C(F)(F)F)C=C1C(F)(F)F", "label": 1}, "335": {"pro_comp_id": 203, "tar_path": "ERRalpha_P11474.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ERRalpha_P11474_26_lig_smina_out.mol2", "protac_path": "203_protac.mol2", "smiles": "COC1=CC(/C=C(\\C#N)C(=O)NCCOCCOCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1OCC1=CC=C(C(F)(F)F)C=C1C(F)(F)F", "label": 0}, "336": {"pro_comp_id": 204, "tar_path": "ERRalpha_P11474.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ERRalpha_P11474_26_lig_smina_out.mol2", "protac_path": "204_protac.mol2", "smiles": "COC1=CC(/C=C(\\C#N)C(=O)NCCOCCOCCOCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1OCC1=CC=C(C(F)(F)F)C=C1C(F)(F)F", "label": 0}, "337": {"pro_comp_id": 205, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_27_lig_smina_out.mol2", "protac_path": "205_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(CC(=O)NCCOCCOCC(=O)NCCOCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1", "label": -1}, "338": {"pro_comp_id": 206, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_27_lig_smina_out.mol2", "protac_path": "206_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(CC(=O)NCCOCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1", "label": -1}, "339": {"pro_comp_id": 207, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_27_lig_smina_out.mol2", "protac_path": "207_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(CC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)NCCOCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1", "label": -1}, "340": {"pro_comp_id": 208, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_10_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "208_protac.mol2", "smiles": "COC1=CC(C(=O)NCCOCCOCCOCCNC(=O)C[C@@H]2N=C(C3=CC=C(Cl)C=C3)C3=C(SC(C)=C3C)N3C(C)=NN=C23)=CC=C1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](C#N)(C2=CC=C(Cl)C=C2F)[C@H]1C1=CC=CC(Cl)=C1F", "label": 1}, "341": {"pro_comp_id": 209, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "209_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCOCCCOC3=CC=C(NC(=O)C[C@@H]4N=C(C5=CC=C(Cl)C=C5)C5=C(SC(C)=C5C)N5C(C)=NN=C45)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "342": {"pro_comp_id": 210, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_28_lig_smina_out.mol2", "protac_path": "210_protac.mol2", "smiles": "NC(=O)C1=C(N)N([C@@H]2CCCN(C(=O)OCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)N=C1C1=CC=C(OC2=CC=C(F)C=C2F)C=C1", "label": 0}, "343": {"pro_comp_id": 211, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_28_lig_smina_out.mol2", "protac_path": "211_protac.mol2", "smiles": "NC(=O)C1=C(N)N([C@@H]2CCCN(C(=O)COCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)N=C1C1=CC=C(OC2=CC=C(F)C=C2F)C=C1", "label": 0}, "344": {"pro_comp_id": 212, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_28_lig_smina_out.mol2", "protac_path": "212_protac.mol2", "smiles": "NC(=O)C1=C(N)N([C@@H]2CCCN(C(=O)OCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)N=C1C1=CC=C(OC2=CC=C(F)C=C2F)C=C1", "label": 0}, "345": {"pro_comp_id": 213, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_28_lig_smina_out.mol2", "protac_path": "213_protac.mol2", "smiles": "NC(=O)C1=C(N)N([C@@H]2CCCN(C(=O)COCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)N=C1C1=CC=C(OC2=CC=C(F)C=C2F)C=C1", "label": 0}, "346": {"pro_comp_id": 214, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_28_lig_smina_out.mol2", "protac_path": "214_protac.mol2", "smiles": "NC(=O)C1=C(N)N([C@@H]2CCCN(C(=O)OCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)N=C1C1=CC=C(OC2=CC=C(F)C=C2F)C=C1", "label": 0}, "347": {"pro_comp_id": 215, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_28_lig_smina_out.mol2", "protac_path": "215_protac.mol2", "smiles": "NC(=O)C1=C(N)N([C@@H]2CCCN(C(=O)OCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)N=C1C1=CC=C(OC2=CC=C(F)C=C2F)C=C1", "label": 1}, "348": {"pro_comp_id": 216, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_28_lig_smina_out.mol2", "protac_path": "216_protac.mol2", "smiles": "NC(=O)C1=C(N)N([C@@H]2CCCN(C(=O)COCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)N=C1C1=CC=C(OC2=CC=C(F)C=C2F)C=C1", "label": 1}, "349": {"pro_comp_id": 217, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_28_lig_smina_out.mol2", "protac_path": "217_protac.mol2", "smiles": "NC(=O)C1=C(N)N([C@@H]2CCCN(C(=O)OCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)N=C1C1=CC=C(OC2=CC=C(F)C=C2F)C=C1", "label": 1}, "350": {"pro_comp_id": 218, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_28_lig_smina_out.mol2", "protac_path": "218_protac.mol2", "smiles": "NC(=O)C1=C(N)N([C@@H]2CCCN(C(=O)COCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)N=C1C1=CC=C(OC2=CC=C(F)C=C2F)C=C1", "label": 1}, "351": {"pro_comp_id": 219, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_28_lig_smina_out.mol2", "protac_path": "219_protac.mol2", "smiles": "NC(=O)C1=C(N)N([C@@H]2CCCN(C(=O)OCCOCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)N=C1C1=CC=C(OC2=CC=C(F)C=C2F)C=C1", "label": 1}, "352": {"pro_comp_id": 220, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_28_lig_smina_out.mol2", "protac_path": "220_protac.mol2", "smiles": "NC(=O)C1=C(N)N([C@@H]2CCCN(C(=O)COCCOCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)N=C1C1=CC=C(OC2=CC=C(F)C=C2F)C=C1", "label": 1}, "353": {"pro_comp_id": 221, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_1_lig_smina_out.mol2", "war_path": "BTK_Q06187_28_lig_smina_out.mol2", "protac_path": "221_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCOCCOCCOCCOCCOC(=O)N3CCC[C@@H](N4N=C(C5=CC=C(OC6=CC=C(F)C=C6F)C=C5)C(C(N)=O)=C4N)C3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C", "label": -1}, "354": {"pro_comp_id": 221, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_1_lig_smina_out.mol2", "war_path": "BTK_Q06187_28_lig_smina_out.mol2", "protac_path": "221_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCOCCOCCOCCOCCOC(=O)N3CCC[C@@H](N4N=C(C5=CC=C(OC6=CC=C(F)C=C6F)C=C5)C(C(N)=O)=C4N)C3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C", "label": 0}, "355": {"pro_comp_id": 222, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_1_lig_smina_out.mol2", "war_path": "BTK_Q06187_28_lig_smina_out.mol2", "protac_path": "222_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCOCCOCCOCCOCCOCCOC(=O)N3CCC[C@@H](N4N=C(C5=CC=C(OC6=CC=C(F)C=C6F)C=C5)C(C(N)=O)=C4N)C3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C", "label": -1}, "356": {"pro_comp_id": 223, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "223_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CC(=O)NCCOCCOCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": 1}, "357": {"pro_comp_id": 224, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "224_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CC(=O)NCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": 1}, "358": {"pro_comp_id": 225, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_30_lig_smina_out.mol2", "protac_path": "225_protac.mol2", "smiles": "O=C(CCCCCCC(=O)N/N=C/C1=CC=C(OCCN2C=C(CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1)NO", "label": -1}, "359": {"pro_comp_id": 226, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_30_lig_smina_out.mol2", "protac_path": "226_protac.mol2", "smiles": "O=C(CCCCCCC(=O)N/N=C/C1=CC=C(OCCOCCN2C=C(CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1)NO", "label": -1}, "360": {"pro_comp_id": 227, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_30_lig_smina_out.mol2", "protac_path": "227_protac.mol2", "smiles": "O=C(CCCCCCC(=O)N/N=C/C1=CC=C(OCCOCCOCCN2C=C(CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1)NO", "label": 0}, "361": {"pro_comp_id": 227, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_30_lig_smina_out.mol2", "protac_path": "227_protac.mol2", "smiles": "O=C(CCCCCCC(=O)N/N=C/C1=CC=C(OCCOCCOCCN2C=C(CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1)NO", "label": 1}, "362": {"pro_comp_id": 228, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_30_lig_smina_out.mol2", "protac_path": "228_protac.mol2", "smiles": "O=C(CCCCCCC(=O)N/N=C/C1=CC=C(OCCOCCOCCOCCN2C=C(CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1)NO", "label": -1}, "363": {"pro_comp_id": 229, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "229_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3[C@@H](F)[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": 1}, "364": {"pro_comp_id": 229, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "229_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3[C@@H](F)[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": 1}, "365": {"pro_comp_id": 229, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "229_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3[C@@H](F)[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": 1}, "366": {"pro_comp_id": 230, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_5_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "230_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3[C@H](F)[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": 0}, "367": {"pro_comp_id": 230, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_5_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "230_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3[C@H](F)[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": 0}, "368": {"pro_comp_id": 230, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_5_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "230_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3[C@H](F)[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": 1}, "369": {"pro_comp_id": 231, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_66_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "231_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCCCCNC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)N=N3)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "370": {"pro_comp_id": 232, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_66_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "232_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCOCCOCCNC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)N=N3)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "371": {"pro_comp_id": 233, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_66_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "233_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NC1=CC=C(OCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)N=N4)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": 1}, "372": {"pro_comp_id": 234, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_66_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "234_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NC1=CC=CC(OCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)N=N4)=C1)N=C2C1=CC=C(Cl)C=C1", "label": 1}, "373": {"pro_comp_id": 235, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRAF_P15056_31_lig_smina_out.mol2", "protac_path": "235_protac.mol2", "smiles": "COC1=CC(OC)=C(/C=C/S(=O)(=O)CC2=CC=C(OC)C(NCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C(OC)=C1", "label": -1}, "374": {"pro_comp_id": 236, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRAF_P15056_31_lig_smina_out.mol2", "protac_path": "236_protac.mol2", "smiles": "COC1=CC(OC)=C(/C=C/S(=O)(=O)CC2=CC=C(OC)C(NCC(=O)NCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C(OC)=C1", "label": 0}, "375": {"pro_comp_id": 237, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRAF_P15056_31_lig_smina_out.mol2", "protac_path": "237_protac.mol2", "smiles": "COC1=CC(OC)=C(/C=C/S(=O)(=O)CC2=CC=C(OC)C(NC(=O)CCC(=O)NCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C(OC)=C1", "label": -1}, "376": {"pro_comp_id": 238, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRAF_P15056_31_lig_smina_out.mol2", "protac_path": "238_protac.mol2", "smiles": "COC1=CC(OC)=C(/C=C/S(=O)(=O)CC2=CC=C(OC)C(NC(=O)CCCC(=O)NCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C(OC)=C1", "label": -1}, "377": {"pro_comp_id": 239, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "239_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "378": {"pro_comp_id": 239, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "239_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "379": {"pro_comp_id": 239, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "239_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "380": {"pro_comp_id": 239, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "239_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "381": {"pro_comp_id": 239, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Wee1_P30291_32_lig_smina_out.mol2", "protac_path": "239_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "382": {"pro_comp_id": 239, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "239_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 0}, "383": {"pro_comp_id": 239, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "239_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 0}, "384": {"pro_comp_id": 239, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "239_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 1}, "385": {"pro_comp_id": 239, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "239_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 1}, "386": {"pro_comp_id": 240, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "240_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOCCOCCOCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "387": {"pro_comp_id": 240, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "240_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOCCOCCOCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "388": {"pro_comp_id": 240, "tar_path": "BCKDK_O14874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BCKDK_O14874_32_lig_smina_out.mol2", "protac_path": "240_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOCCOCCOCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "389": {"pro_comp_id": 240, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "240_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOCCOCCOCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "390": {"pro_comp_id": 240, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "Wee1_P30291_32_lig_smina_out.mol2", "protac_path": "240_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOCCOCCOCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "391": {"pro_comp_id": 240, "tar_path": "PDK1_Q15118.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PDK1_Q15118_32_lig_smina_out.mol2", "protac_path": "240_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOCCOCCOCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "392": {"pro_comp_id": 240, "tar_path": "PDK2_Q15119.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PDK2_Q15119_32_lig_smina_out.mol2", "protac_path": "240_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOCCOCCOCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "393": {"pro_comp_id": 240, "tar_path": "PDK3_Q15120.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PDK3_Q15120_32_lig_smina_out.mol2", "protac_path": "240_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOCCOCCOCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "394": {"pro_comp_id": 240, "tar_path": "COQ8A_Q8NI60.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "COQ8A_Q8NI60_32_lig_smina_out.mol2", "protac_path": "240_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOCCOCCOCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "395": {"pro_comp_id": 241, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_27_lig_smina_out.mol2", "protac_path": "241_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)C2=CN(CCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C1", "label": -1}, "396": {"pro_comp_id": 242, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_27_lig_smina_out.mol2", "protac_path": "242_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)C2=CN(CCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C1", "label": -1}, "397": {"pro_comp_id": 242, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_27_lig_smina_out.mol2", "protac_path": "242_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)C2=CN(CCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C1", "label": 1}, "398": {"pro_comp_id": 243, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_27_lig_smina_out.mol2", "protac_path": "243_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)C2=CN(CCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C1", "label": -1}, "399": {"pro_comp_id": 244, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_33_lig_smina_out.mol2", "protac_path": "244_protac.mol2", "smiles": "COCCOC1=CC=C(NC2=NC=C(F)C(NC3=CC=CC(NC(=O)CCCC4=CN(CCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)=C3)=N2)C=C1", "label": -1}, "400": {"pro_comp_id": 245, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_27_lig_smina_out.mol2", "protac_path": "245_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)C2=CN=NN2CCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1", "label": -1}, "401": {"pro_comp_id": 246, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_27_lig_smina_out.mol2", "protac_path": "246_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)C2=CN=NN2CCOCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1", "label": -1}, "402": {"pro_comp_id": 247, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_37_lig_smina_out.mol2", "war_path": "BTK_Q06187_27_lig_smina_out.mol2", "protac_path": "247_protac.mol2", "smiles": "COC1=CC=C(C2=N[C@H](C3=CC=C(Cl)C=C3)[C@H](C3=CC=C(Cl)C=C3)N2C(=O)N2CCN(CC(=O)NCCOCCOCCN3C=C(CCCC(=O)N4CCC[C@@H](N5N=C(C6=CC=C(OC7=CC=CC=C7)C=C6)C6=C(N)N=CN=C65)C4)N=N3)C(=O)C2)C(OC(C)C)=C1", "label": -1}, "403": {"pro_comp_id": 248, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_37_lig_smina_out.mol2", "war_path": "BTK_Q06187_33_lig_smina_out.mol2", "protac_path": "248_protac.mol2", "smiles": "COCCOC1=CC=C(NC2=NC=C(F)C(NC3=CC=CC(NC(=O)C4=CN(CCOCCOCCOCCNC(=O)CN5CCN(C(=O)N6C(C7=CC=C(OC)C=C7OC(C)C)=N[C@H](C7=CC=C(Cl)C=C7)[C@@H]6C6=CC=C(Cl)C=C6)CC5=O)N=N4)=C3)=N2)C=C1", "label": -1}, "404": {"pro_comp_id": 249, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_11_lig_smina_out.mol2", "war_path": "BTK_Q06187_27_lig_smina_out.mol2", "protac_path": "249_protac.mol2", "smiles": "CCOC1=CC(C(C)(C)C)=CC=C1C1=NC(C)(C2=CC=C(Cl)C=C2)C(C)(C2=CC=C(Cl)C=C2)N1C(=O)N1CCN(CC(=O)NCCOCCOCCOCCN2C=C(C(=O)N3CCC[C@@H](N4N=C(C5=CC=C(OC6=CC=CC=C6)C=C5)C5=C(N)N=CN=C54)C3)N=N2)CC1", "label": -1}, "405": {"pro_comp_id": 250, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_11_lig_smina_out.mol2", "war_path": "BTK_Q06187_27_lig_smina_out.mol2", "protac_path": "250_protac.mol2", "smiles": "CCOC1=CC(C(C)(C)C)=CC=C1C1=NC(C)(C2=CC=C(Cl)C=C2)C(C)(C2=CC=C(Cl)C=C2)N1C(=O)N1CCN(CC(=O)NCCOCCOCCOCCOCCN2C=C(C(=O)N3CCC[C@@H](N4N=C(C5=CC=C(OC6=CC=CC=C6)C=C5)C5=C(N)N=CN=C54)C3)N=N2)CC1", "label": -1}, "406": {"pro_comp_id": 251, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_27_lig_smina_out.mol2", "protac_path": "251_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)C2=CN(CCCCCCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C1", "label": -1}, "407": {"pro_comp_id": 252, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_27_lig_smina_out.mol2", "protac_path": "252_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)CCCC2=CN(CCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C1", "label": -1}, "408": {"pro_comp_id": 253, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_27_lig_smina_out.mol2", "protac_path": "253_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)C2=CN(CCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C1", "label": -1}, "409": {"pro_comp_id": 254, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_27_lig_smina_out.mol2", "protac_path": "254_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)CCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1", "label": -1}, "410": {"pro_comp_id": 255, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "255_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOC3=CC=C(N4C(=S)N(C5=CC=C(C#N)C(C(F)(F)F)=C5)C(=O)C4(C)C)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "411": {"pro_comp_id": 256, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "256_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCCCCOC3=CC=C(N4C(=S)N(C5=CC=C(C#N)C(C(F)(F)F)=C5)C(=O)C4(C)C)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "412": {"pro_comp_id": 257, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "257_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCOC3=CC=C(C4=CC=C(N5C(=S)N(C6=CC=C(C#N)C(C(F)(F)F)=C6)C(=O)C5(C)C)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "413": {"pro_comp_id": 258, "tar_path": "BCL6_P41182.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BCL6_P41182_34_lig_smina_out.mol2", "protac_path": "258_protac.mol2", "smiles": "CN1C(=O)CCC2=CC3=CC(=C21)OCCOC[C@H]1CN(C(=O)CCC(=O)NCCCOCCOCCOC2=CC=CC4=C2C(=O)N(C2CCC(=O)NC2=O)C4=O)CCN1C1=NC=C(Cl)C(=N1)N3", "label": -1}, "414": {"pro_comp_id": 259, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "259_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(C(=O)CCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": -1}, "415": {"pro_comp_id": 260, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "260_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(C(=O)CCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": -1}, "416": {"pro_comp_id": 261, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "261_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": -1}, "417": {"pro_comp_id": 262, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "262_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": -1}, "418": {"pro_comp_id": 263, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "263_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": -1}, "419": {"pro_comp_id": 264, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "264_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCOCCOCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": -1}, "420": {"pro_comp_id": 265, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "FAK_Q05397_35_lig_smina_out.mol2", "protac_path": "265_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOC3=CC=C(NC4=NC=C(C(F)(F)F)C(NCC5=CC=CC(N(C)S(C)(=O)=O)=C5)=N4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "421": {"pro_comp_id": 266, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "FAK_Q05397_35_lig_smina_out.mol2", "protac_path": "266_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOC3=CC=C(NC4=NC=C(C(F)(F)F)C(NCC5=CC=CC(N(C)S(C)(=O)=O)=C5)=N4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "422": {"pro_comp_id": 267, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "FAK_Q05397_35_lig_smina_out.mol2", "protac_path": "267_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOC3=CC=C(NC4=NC=C(C(F)(F)F)C(NCC5=CC=CC(N(C)S(C)(=O)=O)=C5)=N4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "423": {"pro_comp_id": 267, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "FAK_Q05397_35_lig_smina_out.mol2", "protac_path": "267_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOC3=CC=C(NC4=NC=C(C(F)(F)F)C(NCC5=CC=CC(N(C)S(C)(=O)=O)=C5)=N4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "424": {"pro_comp_id": 268, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "FAK_Q05397_35_lig_smina_out.mol2", "protac_path": "268_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCCOC3=CC=C(NC4=NC=C(C(F)(F)F)C(NCC5=CC=CC(N(C)S(C)(=O)=O)=C5)=N4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "425": {"pro_comp_id": 269, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "FAK_Q05397_35_lig_smina_out.mol2", "protac_path": "269_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOC3=CC=C(NC4=NC=C(C(F)(F)F)C(NCC5=CC=CC(N(C)S(C)(=O)=O)=C5)=N4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "426": {"pro_comp_id": 270, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "FAK_Q05397_35_lig_smina_out.mol2", "protac_path": "270_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOC3=CC=C(NC4=NC=C(C(F)(F)F)C(NCC5=CC=CC(N(C)S(C)(=O)=O)=C5)=N4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "427": {"pro_comp_id": 271, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FAK_Q05397_35_lig_smina_out.mol2", "protac_path": "271_protac.mol2", "smiles": "CN(C1=CC=CC(CNC2=NC(NC3=CC=C(OCCCOCCC(=O)NCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C2C(F)(F)F)=C1)S(C)(=O)=O", "label": 1}, "428": {"pro_comp_id": 272, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FAK_Q05397_35_lig_smina_out.mol2", "protac_path": "272_protac.mol2", "smiles": "CN(C1=CC=CC(CNC2=NC(NC3=CC=C(OCCOCCOCCC(=O)NCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C2C(F)(F)F)=C1)S(C)(=O)=O", "label": 1}, "429": {"pro_comp_id": 273, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FAK_Q05397_35_lig_smina_out.mol2", "protac_path": "273_protac.mol2", "smiles": "CN(C1=CC=CC(CNC2=NC(NC3=CC=C(OCCOCCOCCOCCOCCC(=O)NCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C2C(F)(F)F)=C1)S(C)(=O)=O", "label": 1}, "430": {"pro_comp_id": 274, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "FLT3_P36888_36_lig_smina_out.mol2", "protac_path": "274_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOC3=CC=C4C(=C3)SC3=NC(C5=CC=C(NC(=O)NC6=NOC(C(C)(C)C)=C6)C=C5)=CN34)C(C)(C)C)C=C2)SC=N1", "label": -1}, "431": {"pro_comp_id": 275, "tar_path": "HER2_P04626.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HER2_P04626_37_lig_smina_out.mol2", "protac_path": "275_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOC3=CC=C(C4=CC=C5N=CN=C(NC6=CC=C(OCC7=CC=CC(F)=C7)C(Cl)=C6)C5=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "432": {"pro_comp_id": 275, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_37_lig_smina_out.mol2", "protac_path": "275_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOC3=CC=C(C4=CC=C5N=CN=C(NC6=CC=C(OCC7=CC=CC(F)=C7)C(Cl)=C6)C5=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "433": {"pro_comp_id": 275, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_37_lig_smina_out.mol2", "protac_path": "275_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOC3=CC=C(C4=CC=C5N=CN=C(NC6=CC=C(OCC7=CC=CC(F)=C7)C(Cl)=C6)C5=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "434": {"pro_comp_id": 275, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_37_lig_smina_out.mol2", "protac_path": "275_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOC3=CC=C(C4=CC=C5N=CN=C(NC6=CC=C(OCC7=CC=CC(F)=C7)C(Cl)=C6)C5=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "435": {"pro_comp_id": 275, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_37_lig_smina_out.mol2", "protac_path": "275_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOC3=CC=C(C4=CC=C5N=CN=C(NC6=CC=C(OCC7=CC=CC(F)=C7)C(Cl)=C6)C5=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "436": {"pro_comp_id": 276, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "276_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCCCOCCOCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C", "label": 1}, "437": {"pro_comp_id": 277, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_39_lig_smina_out.mol2", "protac_path": "277_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCOCCCCOCCCCOC3=CC4=NC=NC(NC5=CC=C(F)C(Cl)=C5)=C4C=C3NC(=O)/C=C/CN(C)C)C(C)(C)C)C=C2)SC=N1", "label": 0}, "438": {"pro_comp_id": 278, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_37_lig_smina_out.mol2", "protac_path": "278_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOC3=CC=C(C4=CC=C5N=CN=C(NC6=CC=C(OCC7=CC=CC(F)=C7)C(Cl)=C6)C5=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "439": {"pro_comp_id": 278, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_37_lig_smina_out.mol2", "protac_path": "278_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOC3=CC=C(C4=CC=C5N=CN=C(NC6=CC=C(OCC7=CC=CC(F)=C7)C(Cl)=C6)C5=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "440": {"pro_comp_id": 278, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_37_lig_smina_out.mol2", "protac_path": "278_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOC3=CC=C(C4=CC=C5N=CN=C(NC6=CC=C(OCC7=CC=CC(F)=C7)C(Cl)=C6)C5=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "441": {"pro_comp_id": 278, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_37_lig_smina_out.mol2", "protac_path": "278_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOC3=CC=C(C4=CC=C5N=CN=C(NC6=CC=C(OCC7=CC=CC(F)=C7)C(Cl)=C6)C5=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "442": {"pro_comp_id": 279, "tar_path": "MCL1_Q07820.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MCL1_Q07820_3_lig_smina_out.mol2", "protac_path": "279_protac.mol2", "smiles": "CC1=NN(C)C(COC2=CC=C(N3CCN(C(=O)CCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=C1C1=CC=CC2=C1N(CCN1CCOCC1)C(C(=O)O)=C2CCCOC1=CC=CC2=CC=CC=C12", "label": -1}, "443": {"pro_comp_id": 280, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_E41K_Q06187_24_lig_smina_out.mol2", "protac_path": "280_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(CCCCCCOCCOCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": 1}, "444": {"pro_comp_id": 281, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_E41K_Q06187_24_lig_smina_out.mol2", "protac_path": "281_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(CCCCOCCCCOCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": 1}, "445": {"pro_comp_id": 282, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_E41K_Q06187_24_lig_smina_out.mol2", "protac_path": "282_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(CCCOCCCOCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": 1}, "446": {"pro_comp_id": 283, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "BTK_E41K_Q06187_24_lig_smina_out.mol2", "protac_path": "283_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(CCOCCOCC(=O)NC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CC1", "label": 1}, "447": {"pro_comp_id": 283, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "BTK_E41K_Q06187_24_lig_smina_out.mol2", "protac_path": "283_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(CCOCCOCC(=O)NC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CC1", "label": 1}, "448": {"pro_comp_id": 283, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "BTK_E41K_Q06187_24_lig_smina_out.mol2", "protac_path": "283_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(CCOCCOCC(=O)NC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CC1", "label": 1}, "449": {"pro_comp_id": 283, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "BTK_E41K_Q06187_24_lig_smina_out.mol2", "protac_path": "283_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(CCOCCOCC(=O)NC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CC1", "label": -1}, "450": {"pro_comp_id": 283, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "BTK_E41K_Q06187_24_lig_smina_out.mol2", "protac_path": "283_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(CCOCCOCC(=O)NC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CC1", "label": -1}, "451": {"pro_comp_id": 283, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "BTK_E41K_Q06187_24_lig_smina_out.mol2", "protac_path": "283_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(CCOCCOCC(=O)NC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CC1", "label": -1}, "452": {"pro_comp_id": 283, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "BTK_E41K_Q06187_24_lig_smina_out.mol2", "protac_path": "283_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(CCOCCOCC(=O)NC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CC1", "label": -1}, "453": {"pro_comp_id": 283, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "BTK_E41K_Q06187_24_lig_smina_out.mol2", "protac_path": "283_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(CCOCCOCC(=O)NC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CC1", "label": -1}, "454": {"pro_comp_id": 284, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "BTK_E41K_Q06187_24_lig_smina_out.mol2", "protac_path": "284_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(CCCCOCCCCOCC(=O)NC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CC1", "label": 1}, "455": {"pro_comp_id": 285, "tar_path": "c-Met_P08581.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "c-Met_P08581_408_lig_smina_out.mol2", "protac_path": "285_protac.mol2", "smiles": "COC1=CC2=C(OC3=CC=C(NC(=O)C4(C(=O)NC5=CC=C(F)C=C5)CC4)C=C3F)C=CN=C2C=C1OCCCOCCCOCCC(=O)NCCOC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "456": {"pro_comp_id": 285, "tar_path": "RIPK2_O43353.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "RIPK2_O43353_40_lig_smina_out.mol2", "protac_path": "285_protac.mol2", "smiles": "COC1=CC2=C(OC3=CC=C(NC(=O)C4(C(=O)NC5=CC=C(F)C=C5)CC4)C=C3F)C=CN=C2C=C1OCCCOCCCOCCC(=O)NCCOC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "457": {"pro_comp_id": 285, "tar_path": "MerTK_Q12866.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MerTK_Q12866_40_lig_smina_out.mol2", "protac_path": "285_protac.mol2", "smiles": "COC1=CC2=C(OC3=CC=C(NC(=O)C4(C(=O)NC5=CC=C(F)C=C5)CC4)C=C3F)C=CN=C2C=C1OCCCOCCCOCCC(=O)NCCOC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "458": {"pro_comp_id": 285, "tar_path": "p38delta_O15264.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "p38delta_O15264_40_lig_smina_out.mol2", "protac_path": "285_protac.mol2", "smiles": "COC1=CC2=C(OC3=CC=C(NC(=O)C4(C(=O)NC5=CC=C(F)C=C5)CC4)C=C3F)C=CN=C2C=C1OCCCOCCCOCCC(=O)NCCOC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 1}, "459": {"pro_comp_id": 286, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK9_P50750_41_lig_smina_out.mol2", "protac_path": "286_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CCCCCOC4=C(O)C=C(O)C5=C4OC(C4=CC=CC=C4)=CC5=O)=C3C2=O)C(=O)N1", "label": -1}, "460": {"pro_comp_id": 287, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK9_P50750_41_lig_smina_out.mol2", "protac_path": "287_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CCCCCCOC4=C(O)C=C(O)C5=C4OC(C4=CC=CC=C4)=CC5=O)=C3C2=O)C(=O)N1", "label": -1}, "461": {"pro_comp_id": 288, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK9_P50750_41_lig_smina_out.mol2", "protac_path": "288_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CCCCCCCOC4=C(O)C=C(O)C5=C4OC(C4=CC=CC=C4)=CC5=O)=C3C2=O)C(=O)N1", "label": -1}, "462": {"pro_comp_id": 289, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK9_P50750_41_lig_smina_out.mol2", "protac_path": "289_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CCCCCCCCCOC4=C(O)C=C(O)C5=C4OC(C4=CC=CC=C4)=CC5=O)=C3C2=O)C(=O)N1", "label": -1}, "463": {"pro_comp_id": 290, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK9_P50750_41_lig_smina_out.mol2", "protac_path": "290_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CCCCCN4C=C(COC5=C(O)C=C(O)C6=C5OC(C5=CC=CC=C5)=CC6=O)N=N4)=C3C2=O)C(=O)N1", "label": -1}, "464": {"pro_comp_id": 291, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK9_P50750_41_lig_smina_out.mol2", "protac_path": "291_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CCCCCCN4C=C(COC5=C(O)C=C(O)C6=C5OC(C5=CC=CC=C5)=CC6=O)N=N4)=C3C2=O)C(=O)N1", "label": -1}, "465": {"pro_comp_id": 292, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK9_P50750_41_lig_smina_out.mol2", "protac_path": "292_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CCCCCCCN4C=C(COC5=C(O)C=C(O)C6=C5OC(C5=CC=CC=C5)=CC6=O)N=N4)=C3C2=O)C(=O)N1", "label": -1}, "466": {"pro_comp_id": 293, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK9_P50750_41_lig_smina_out.mol2", "protac_path": "293_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CCCCCCCCCN4C=C(COC5=C(O)C=C(O)C6=C5OC(C5=CC=CC=C5)=CC6=O)N=N4)=C3C2=O)C(=O)N1", "label": -1}, "467": {"pro_comp_id": 294, "tar_path": "GCN5_Q92830.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GCN5_Q92830_42_lig_smina_out.mol2", "protac_path": "294_protac.mol2", "smiles": "CN1C[C@H](NC2=C(Br)C(=O)N(C)N=C2)C[C@H](C2=CC=C(C(=O)N(C)CCCN(C)C3=CC=C(CCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)C=C2)C1", "label": 1}, "468": {"pro_comp_id": 294, "tar_path": "PCAF_Q92831.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PCAF_Q92831_42_lig_smina_out.mol2", "protac_path": "294_protac.mol2", "smiles": "CN1C[C@H](NC2=C(Br)C(=O)N(C)N=C2)C[C@H](C2=CC=C(C(=O)N(C)CCCN(C)C3=CC=C(CCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)C=C2)C1", "label": 1}, "469": {"pro_comp_id": 295, "tar_path": "PCAF_Q92831.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PCAF_Q92831_43_lig_smina_out.mol2", "protac_path": "295_protac.mol2", "smiles": "CN1C[C@@H](NC2=C(Br)C(=O)N(C)N=C2)C[C@@H](C2=CC=C(C(=O)N(C)CCCN(C)C3=CC=C(CCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)C=C2)C1", "label": -1}, "470": {"pro_comp_id": 296, "tar_path": "CRBN_Q96SW2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CRBN_Q96SW2_23_lig_smina_out.mol2", "protac_path": "296_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3C2=O)C(=O)N1", "label": -1}, "471": {"pro_comp_id": 297, "tar_path": "CRBN_Q96SW2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CRBN_Q96SW2_23_lig_smina_out.mol2", "protac_path": "297_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCOCCOCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3C2=O)C(=O)N1", "label": -1}, "472": {"pro_comp_id": 298, "tar_path": "CRBN_Q96SW2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CRBN_Q96SW2_23_lig_smina_out.mol2", "protac_path": "298_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCOCCCCOCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3C2=O)C(=O)N1", "label": -1}, "473": {"pro_comp_id": 299, "tar_path": "CRBN_Q96SW2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CRBN_Q96SW2_23_lig_smina_out.mol2", "protac_path": "299_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCOCCOCCOCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3C2=O)C(=O)N1", "label": -1}, "474": {"pro_comp_id": 300, "tar_path": "CRBN_Q96SW2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CRBN_Q96SW2_23_lig_smina_out.mol2", "protac_path": "300_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3C2=O)C(=O)N1", "label": -1}, "475": {"pro_comp_id": 301, "tar_path": "CRBN_Q96SW2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CRBN_Q96SW2_44_lig_smina_out.mol2", "protac_path": "301_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(OCCOCCOCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3C2=O)C(=O)N1", "label": -1}, "476": {"pro_comp_id": 302, "tar_path": "CRBN_Q96SW2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CRBN_Q96SW2_44_lig_smina_out.mol2", "protac_path": "302_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(C(=O)NCCOCCOCCNC(=O)C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C=C3C2=O)C(=O)N1", "label": -1}, "477": {"pro_comp_id": 303, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_45_lig_smina_out.mol2", "protac_path": "303_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(OCCCCCOC4=CC=C(CC(=O)NC5=N[NH]C(C6CCC6)=C5)C=C4)=C3C2=O)C(=O)N1", "label": -1}, "478": {"pro_comp_id": 304, "tar_path": "PI3Kalpha_P42336.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PI3Kalpha_P42336_46_lig_smina_out.mol2", "protac_path": "304_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CCCCCN4CCN(C5=NC(N6CCOCC6)=NC(N6C(C(F)F)=NC7=CC=CC=C76)=N5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "479": {"pro_comp_id": 305, "tar_path": "PI3Kalpha_P42336.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PI3Kalpha_P42336_46_lig_smina_out.mol2", "protac_path": "305_protac.mol2", "smiles": "O=C(CCC(=O)N1CCN(C2=NC(N3CCOCC3)=NC(N3C(C(F)F)=NC4=CC=CC=C43)=N2)CC1)NCCCC(=O)NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "480": {"pro_comp_id": 306, "tar_path": "PI3Kalpha_P42336.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PI3Kalpha_P42336_46_lig_smina_out.mol2", "protac_path": "306_protac.mol2", "smiles": "O=C(CCC(=O)NCCCC(=O)NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCC(=O)N1CCN(C2=NC(N3CCOCC3)=NC(N3C(C(F)F)=NC4=CC=CC=C43)=N2)CC1", "label": -1}, "481": {"pro_comp_id": 307, "tar_path": "PI3Kalpha_P42336.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PI3Kalpha_P42336_46_lig_smina_out.mol2", "protac_path": "307_protac.mol2", "smiles": "O=C(CCC(=O)N1CCN(C2=NC(N3CCOCC3)=NC(N3C(C(F)F)=NC4=CC=CC=C43)=N2)CC1)NCCCCCC(=O)NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "482": {"pro_comp_id": 308, "tar_path": "PI3Kalpha_P42336.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PI3Kalpha_P42336_46_lig_smina_out.mol2", "protac_path": "308_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CCCN4C=C(CN5CCN(C6=NC(N7CCOCC7)=NC(N7C(C(F)F)=NC8=CC=CC=C87)=N6)CC5)N=N4)=C3C2=O)C(=O)N1", "label": -1}, "483": {"pro_comp_id": 309, "tar_path": "PI3Kalpha_P42336.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PI3Kalpha_P42336_46_lig_smina_out.mol2", "protac_path": "309_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CCCCCN4C=C(CN5CCN(C6=NC(N7CCOCC7)=NC(N7C(C(F)F)=NC8=CC=CC=C87)=N6)CC5)N=N4)=C3C2=O)C(=O)N1", "label": -1}, "484": {"pro_comp_id": 310, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "310_protac.mol2", "smiles": "CC(=O)N[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)SCCCCCCNC(=O)C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C2=C(SC(C)=C2C)N2C(C)=NN=C12", "label": -1}, "485": {"pro_comp_id": 310, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "310_protac.mol2", "smiles": "CC(=O)N[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)SCCCCCCNC(=O)C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C2=C(SC(C)=C2C)N2C(C)=NN=C12", "label": -1}, "486": {"pro_comp_id": 311, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "311_protac.mol2", "smiles": "CC(=O)N[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)SCCCCNC(=O)C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C2=C(SC(C)=C2C)N2C(C)=NN=C12", "label": -1}, "487": {"pro_comp_id": 312, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "312_protac.mol2", "smiles": "CC(=O)N[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)SCCOCCNC(=O)C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C2=C(SC(C)=C2C)N2C(C)=NN=C12", "label": -1}, "488": {"pro_comp_id": 313, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "313_protac.mol2", "smiles": "CC(=O)N[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)SCCCOCCCNC(=O)C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C2=C(SC(C)=C2C)N2C(C)=NN=C12", "label": -1}, "489": {"pro_comp_id": 314, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "314_protac.mol2", "smiles": "CC(=O)N[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)SCCCCOCCNC(=O)C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C2=C(SC(C)=C2C)N2C(C)=NN=C12", "label": -1}, "490": {"pro_comp_id": 315, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "315_protac.mol2", "smiles": "CC(=O)N[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)SCCOCCOCCNC(=O)C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C2=C(SC(C)=C2C)N2C(C)=NN=C12", "label": -1}, "505": {"pro_comp_id": 328, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "328_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": -1}, "506": {"pro_comp_id": 328, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "328_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": -1}, "507": {"pro_comp_id": 328, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "328_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": -1}, "508": {"pro_comp_id": 328, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "328_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": 1}, "509": {"pro_comp_id": 328, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "328_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": 1}, "510": {"pro_comp_id": 328, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "328_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": 1}, "511": {"pro_comp_id": 329, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD2_P25440_49_lig_smina_out.mol2", "protac_path": "329_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NC1=CC=C(OCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "512": {"pro_comp_id": 329, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD3_Q15059_49_lig_smina_out.mol2", "protac_path": "329_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NC1=CC=C(OCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "513": {"pro_comp_id": 329, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD2_P25440_49_lig_smina_out.mol2", "protac_path": "329_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NC1=CC=C(OCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "514": {"pro_comp_id": 329, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD3_Q15059_49_lig_smina_out.mol2", "protac_path": "329_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NC1=CC=C(OCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "515": {"pro_comp_id": 329, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_49_lig_smina_out.mol2", "protac_path": "329_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NC1=CC=C(OCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "516": {"pro_comp_id": 329, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD2_P25440_49_lig_smina_out.mol2", "protac_path": "329_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NC1=CC=C(OCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": 1}, "517": {"pro_comp_id": 329, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD3_Q15059_49_lig_smina_out.mol2", "protac_path": "329_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NC1=CC=C(OCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": 1}, "518": {"pro_comp_id": 329, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_49_lig_smina_out.mol2", "protac_path": "329_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NC1=CC=C(OCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": 1}, "519": {"pro_comp_id": 329, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_49_lig_smina_out.mol2", "protac_path": "329_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NC1=CC=C(OCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": 1}, "520": {"pro_comp_id": 329, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_49_lig_smina_out.mol2", "protac_path": "329_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NC1=CC=C(OCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": 1}, "521": {"pro_comp_id": 329, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_49_lig_smina_out.mol2", "protac_path": "329_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NC1=CC=C(OCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "522": {"pro_comp_id": 330, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "330_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "523": {"pro_comp_id": 330, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "330_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "524": {"pro_comp_id": 330, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "330_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "525": {"pro_comp_id": 330, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "330_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "526": {"pro_comp_id": 330, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "330_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "527": {"pro_comp_id": 330, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "330_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "528": {"pro_comp_id": 330, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "330_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "529": {"pro_comp_id": 330, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "330_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "530": {"pro_comp_id": 330, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "330_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "531": {"pro_comp_id": 330, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "330_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "532": {"pro_comp_id": 330, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "330_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "533": {"pro_comp_id": 330, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "330_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1", "label": 0}, "534": {"pro_comp_id": 330, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "330_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1", "label": 0}, "535": {"pro_comp_id": 330, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "330_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1", "label": 1}, "536": {"pro_comp_id": 330, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "330_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1", "label": 0}, "537": {"pro_comp_id": 330, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "330_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "538": {"pro_comp_id": 330, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "330_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "539": {"pro_comp_id": 330, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "330_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "540": {"pro_comp_id": 330, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "330_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "541": {"pro_comp_id": 330, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "330_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "542": {"pro_comp_id": 330, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "330_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "545": {"pro_comp_id": 330, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "330_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "546": {"pro_comp_id": 331, "tar_path": "FKBP12_P62942.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FKBP12_P62942_50_lig_smina_out.mol2", "protac_path": "331_protac.mol2", "smiles": "CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCC1=CC=C(OC)C(OC)=C1)C1=CC=CC(NC(=O)CCC(=O)NCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1", "label": -1}, "547": {"pro_comp_id": 332, "tar_path": "FKBP12_P62942.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FKBP12_P62942_50_lig_smina_out.mol2", "protac_path": "332_protac.mol2", "smiles": "CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCC1=CC=C(OC)C(OC)=C1)C1=CC=CC(NC(=O)CCC(=O)NCCCOCCOCCOCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1", "label": -1}, "548": {"pro_comp_id": 333, "tar_path": "ERRalpha_P11474.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ERRalpha_P11474_51_lig_smina_out.mol2", "protac_path": "333_protac.mol2", "smiles": "COC1=CC(/C=C2\\SC(=O)N(CCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C2=O)=CC=C1OC1=CC=C(C#N)C=C1C(F)(F)F", "label": 0}, "549": {"pro_comp_id": 334, "tar_path": "RIPK2_O43353.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "RIPK2_O43353_52_lig_smina_out.mol2", "protac_path": "334_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOC3=CC4=NC=CC(NC5=CC=C6SC=NC6=C5)=C4C=C3S(=O)(=O)C(C)(C)C)C(C)(C)C)C=C2)SC=N1", "label": 1}, "550": {"pro_comp_id": 334, "tar_path": "RIPK2_O43353.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "RIPK2_O43353_52_lig_smina_out.mol2", "protac_path": "334_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOC3=CC4=NC=CC(NC5=CC=C6SC=NC6=C5)=C4C=C3S(=O)(=O)C(C)(C)C)C(C)(C)C)C=C2)SC=N1", "label": 1}, "551": {"pro_comp_id": 335, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "335_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": -1}, "552": {"pro_comp_id": 335, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "335_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": -1}, "553": {"pro_comp_id": 335, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "335_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": -1}, "554": {"pro_comp_id": 335, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "335_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": -1}, "555": {"pro_comp_id": 335, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "335_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": -1}, "556": {"pro_comp_id": 335, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "335_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": -1}, "557": {"pro_comp_id": 335, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "335_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": -1}, "558": {"pro_comp_id": 335, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "335_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": -1}, "559": {"pro_comp_id": 335, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "335_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": -1}, "560": {"pro_comp_id": 335, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "335_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": -1}, "561": {"pro_comp_id": 335, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "335_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": -1}, "562": {"pro_comp_id": 335, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "335_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": -1}, "563": {"pro_comp_id": 335, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "335_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": -1}, "564": {"pro_comp_id": 335, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "335_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": -1}, "565": {"pro_comp_id": 335, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "335_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": -1}, "566": {"pro_comp_id": 335, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "335_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": 1}, "567": {"pro_comp_id": 335, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "335_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": 0}, "568": {"pro_comp_id": 335, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "335_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": 1}, "569": {"pro_comp_id": 335, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "335_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": -1}, "570": {"pro_comp_id": 335, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "335_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": -1}, "571": {"pro_comp_id": 336, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "336_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": 0}, "572": {"pro_comp_id": 336, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "336_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": 0}, "573": {"pro_comp_id": 336, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "336_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": 1}, "574": {"pro_comp_id": 337, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_7_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "337_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)COCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": -1}, "575": {"pro_comp_id": 337, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_7_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "337_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)COCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": -1}, "576": {"pro_comp_id": 337, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_7_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "337_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)COCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": -1}, "577": {"pro_comp_id": 338, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_37_lig_smina_out.mol2", "war_path": "AR_P10275_25_lig_smina_out.mol2", "protac_path": "338_protac.mol2", "smiles": "COC1=CC=C(C2=N[C@H](C3=CC=C(Cl)C=C3)[C@H](C3=CC=C(Cl)C=C3)N2C(=O)N2CCN(CC(=O)NCCOCCOCCOCC(=O)NC3=CC=C(OC[C@](C)(O)C(=O)NC4=CC=C([N+](=O)[O-])C(C(F)(F)F)=C4)C=C3)C(=O)C2)C(OC(C)C)=C1", "label": -1}, "578": {"pro_comp_id": 339, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "339_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCCCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "579": {"pro_comp_id": 339, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "339_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCCCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1", "label": 1}, "580": {"pro_comp_id": 339, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "339_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCCCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1", "label": 1}, "581": {"pro_comp_id": 339, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "339_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCCCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "582": {"pro_comp_id": 340, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "340_protac.mol2", "smiles": "COC(=O)C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C2=C(SC(C(=O)NCCCCCCCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2C)N2C(C)=NN=C12", "label": 1}, "583": {"pro_comp_id": 341, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "341_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "584": {"pro_comp_id": 342, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "342_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCNC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "585": {"pro_comp_id": 342, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "342_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCNC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1", "label": 0}, "586": {"pro_comp_id": 343, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "343_protac.mol2", "smiles": "COC(=O)C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C2=C(SC(C(=O)NCCCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2C)N2C(C)=NN=C12", "label": 1}, "587": {"pro_comp_id": 344, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "344_protac.mol2", "smiles": "COC(=O)C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C2=C(SC(C(=O)NCCCCCCCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)=C2C)N2C(C)=NN=C12", "label": -1}, "588": {"pro_comp_id": 345, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "345_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCOC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "589": {"pro_comp_id": 346, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "346_protac.mol2", "smiles": "COC(=O)C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C2=C(SC(C(=O)NCCCCCCCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2C)N2C(C)=NN=C12", "label": -1}, "590": {"pro_comp_id": 347, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "347_protac.mol2", "smiles": "COC(=O)C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C2=C(SC(C(=O)NCCCCCCCCOC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)=C2C)N2C(C)=NN=C12", "label": -1}, "591": {"pro_comp_id": 348, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "348_protac.mol2", "smiles": "COC(=O)C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C2=C(SC(C(=O)NCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2C)N2C(C)=NN=C12", "label": -1}, "592": {"pro_comp_id": 349, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "349_protac.mol2", "smiles": "COC(=O)C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C2=C(SC(C(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2C)N2C(C)=NN=C12", "label": -1}, "593": {"pro_comp_id": 350, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "350_protac.mol2", "smiles": "COC(=O)C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C2=C(SC(C(=O)NCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2C)N2C(C)=NN=C12", "label": 1}, "594": {"pro_comp_id": 351, "tar_path": "MCL1_Q07820.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MCL1_Q07820_3_lig_smina_out.mol2", "protac_path": "351_protac.mol2", "smiles": "CC1=NN(C)C(COC2=CC=C(N3CCN(S(=O)(=O)N(C)C)CC3)C=C2)=C1C1=CC=CC2=C1N(CCN1CCN(C(=O)CCC(=O)NCCCOCCOCCOCCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)C(C(=O)O)=C2CCCOC1=CC=CC2=CC=CC=C12", "label": -1}, "595": {"pro_comp_id": 352, "tar_path": "MCL1_Q07820.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MCL1_Q07820_3_lig_smina_out.mol2", "protac_path": "352_protac.mol2", "smiles": "CC1=NN(C)C(COC2=CC=C(N3CCN(C(=O)CCC(=O)NCCCOCCOCCOCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=C1C1=CC=CC2=C1N(CCN1CCOCC1)C(C(=O)O)=C2CCCOC1=CC=CC2=CC=CC=C12", "label": -1}, "596": {"pro_comp_id": 353, "tar_path": "MCL1_Q07820.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MCL1_Q07820_3_lig_smina_out.mol2", "protac_path": "353_protac.mol2", "smiles": "CC1=NN(C)C(COC2=CC=C(N3CCN(C(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=C1C1=CC=CC2=C1N(CCN1CCOCC1)C(C(=O)O)=C2CCCOC1=CC=CC2=CC=CC=C12", "label": -1}, "597": {"pro_comp_id": 354, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_30_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "354_protac.mol2", "smiles": "C#CC1=CC=C([C@H](CC(=O)N2CCC(N3CCC(C#CC4=CC=C(C(=O)N[C@H]5C(C)(C)[C@H](OC6=CC=C(C#N)C(Cl)=C6)C5(C)C)C=C4)CC3)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](C2=CC(C)=NO2)C(C)C)C=C1", "label": 1}, "598": {"pro_comp_id": 355, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_31_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "355_protac.mol2", "smiles": "CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCC(N3CCC(C#CC4=CC=C(C(=O)N[C@H]5C(C)(C)[C@H](OC6=CC=C(C#N)C(Cl)=C6)C5(C)C)C=C4)CC3)CC2)C2=CC=C(C#N)C=C2)C(C)C)=C1", "label": 1}, "599": {"pro_comp_id": 356, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_32_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "356_protac.mol2", "smiles": "CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCC(N3CCC(C#CC4=CC=C(C(=O)N[C@H]5C(C)(C)[C@H](OC6=CC=C(C#N)C(Cl)=C6)C5(C)C)C=C4)CC3)CC2)C2=CC=C(Br)C=C2)C(C)C)=C1", "label": 0}, "600": {"pro_comp_id": 357, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "357_protac.mol2", "smiles": "CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCC(N3CCC(C#CC4=CC=C(C(=O)N[C@H]5C(C)(C)[C@H](OC6=CC=C(C#N)C(Cl)=C6)C5(C)C)C=C4)CC3)CC2)C2=CC=C(Cl)C=C2)C(C)C)=C1", "label": 1}, "601": {"pro_comp_id": 358, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_34_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "358_protac.mol2", "smiles": "CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCC(N3CCC(C#CC4=CC=C(C(=O)N[C@H]5C(C)(C)[C@H](OC6=CC=C(C#N)C(Cl)=C6)C5(C)C)C=C4)CC3)CC2)C2=CC=C(F)C=C2)C(C)C)=C1", "label": 1}, "602": {"pro_comp_id": 359, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_35_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "359_protac.mol2", "smiles": "CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCC(N3CCC(C#CC4=CC=C(C(=O)N[C@H]5C(C)(C)[C@H](OC6=CC=C(C#N)C(Cl)=C6)C5(C)C)C=C4)CC3)CC2)C2=CC=CC=C2)C(C)C)=C1", "label": 0}, "603": {"pro_comp_id": 360, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_36_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "360_protac.mol2", "smiles": "CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CC(=O)N1CCC(N2CCC(C#CC3=CC=C(C(=O)N[C@H]4C(C)(C)[C@H](OC5=CC=C(C#N)C(Cl)=C5)C4(C)C)C=C3)CC2)CC1)C1=CC=CC=C1)C(C)C", "label": 0}, "604": {"pro_comp_id": 361, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_35_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "361_protac.mol2", "smiles": "CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCC(N3CC(C#CC4=CC=C(C(=O)N[C@H]5C(C)(C)[C@H](OC6=CC=C(C#N)C(Cl)=C6)C5(C)C)C=C4)C3)CC2)C2=CC=CC=C2)C(C)C)=C1", "label": 0}, "605": {"pro_comp_id": 362, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_35_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "362_protac.mol2", "smiles": "CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CC(N3CCC(C#CC4=CC=C(C(=O)N[C@H]5C(C)(C)[C@H](OC6=CC=C(C#N)C(Cl)=C6)C5(C)C)C=C4)CC3)C2)C2=CC=CC=C2)C(C)C)=C1", "label": 0}, "606": {"pro_comp_id": 363, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_35_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "363_protac.mol2", "smiles": "CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCC(C#CC3=CC=C(C(=O)N[C@H]4C(C)(C)[C@H](OC5=CC=C(C#N)C(Cl)=C5)C4(C)C)C=C3)CC2)C2=CC=CC=C2)C(C)C)=C1", "label": 1}, "607": {"pro_comp_id": 364, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_35_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "364_protac.mol2", "smiles": "CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCC(C3CN(C4=CC=C(C(=O)N[C@H]5C(C)(C)[C@H](OC6=CC=C(C#N)C(Cl)=C6)C5(C)C)C=C4)C3)CC2)C2=CC=CC=C2)C(C)C)=C1", "label": 1}, "608": {"pro_comp_id": 365, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_35_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "365_protac.mol2", "smiles": "CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCC(N3CC(C4=CC=C(C(=O)N[C@H]5C(C)(C)[C@H](OC6=CC=C(C#N)C(Cl)=C6)C5(C)C)C=C4)C3)CC2)C2=CC=CC=C2)C(C)C)=C1", "label": 1}, "609": {"pro_comp_id": 366, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_35_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "366_protac.mol2", "smiles": "CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCC(C3=CC=C(C(=O)N[C@H]4C(C)(C)[C@H](OC5=CC=C(C#N)C(Cl)=C5)C4(C)C)C=C3)CC2)C2=CC=CC=C2)C(C)C)=C1", "label": 1}, "610": {"pro_comp_id": 367, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_35_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "367_protac.mol2", "smiles": "CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCN(C3=CC=C(C(=O)N[C@H]4C(C)(C)[C@H](OC5=CC=C(C#N)C(Cl)=C5)C4(C)C)C=C3)CC2)C2=CC=CC=C2)C(C)C)=C1", "label": 1}, "611": {"pro_comp_id": 368, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "368_protac.mol2", "smiles": "CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCC(C#CC3=CC=C(C(=O)N[C@H]4C(C)(C)[C@H](OC5=CC=C(C#N)C(Cl)=C5)C4(C)C)C=C3)CC2)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1", "label": 1}, "612": {"pro_comp_id": 369, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_34_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "369_protac.mol2", "smiles": "CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCC(C#CC3=CC=C(C(=O)N[C@H]4C(C)(C)[C@H](OC5=CC=C(C#N)C(Cl)=C5)C4(C)C)C=C3)CC2)C2=CC=C(F)C=C2)C(C)C)=C1", "label": 1}, "613": {"pro_comp_id": 370, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "370_protac.mol2", "smiles": "CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCC(C#CC3=CC=C(C(=O)N[C@H]4C(C)(C)[C@H](OC5=CC=C(C#N)C(Cl)=C5)C4(C)C)C=C3)CC2)C2=CC=C(Cl)C=C2)C(C)C)=C1", "label": 1}, "614": {"pro_comp_id": 371, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_32_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "371_protac.mol2", "smiles": "CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCC(C#CC3=CC=C(C(=O)N[C@H]4C(C)(C)[C@H](OC5=CC=C(C#N)C(Cl)=C5)C4(C)C)C=C3)CC2)C2=CC=C(Br)C=C2)C(C)C)=C1", "label": 1}, "615": {"pro_comp_id": 372, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_31_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "372_protac.mol2", "smiles": "CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCC(C#CC3=CC=C(C(=O)N[C@H]4C(C)(C)[C@H](OC5=CC=C(C#N)C(Cl)=C5)C4(C)C)C=C3)CC2)C2=CC=C(C#N)C=C2)C(C)C)=C1", "label": 1}, "616": {"pro_comp_id": 373, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_30_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "373_protac.mol2", "smiles": "C#CC1=CC=C([C@H](CC(=O)N2CCC(C#CC3=CC=C(C(=O)N[C@H]4C(C)(C)[C@H](OC5=CC=C(C#N)C(Cl)=C5)C4(C)C)C=C3)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](C2=CC(C)=NO2)C(C)C)C=C1", "label": 1}, "617": {"pro_comp_id": 374, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_36_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "374_protac.mol2", "smiles": "CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CC(=O)N1CCC(C#CC2=CC=C(C(=O)N[C@H]3C(C)(C)[C@H](OC4=CC=C(C#N)C(Cl)=C4)C3(C)C)C=C2)CC1)C1=CC=CC=C1)C(C)C", "label": 0}, "618": {"pro_comp_id": 375, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "375_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "619": {"pro_comp_id": 375, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "375_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "620": {"pro_comp_id": 376, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "376_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "621": {"pro_comp_id": 376, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "376_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "622": {"pro_comp_id": 377, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "377_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCOCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "623": {"pro_comp_id": 377, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "377_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCOCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "624": {"pro_comp_id": 378, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "378_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCOCCOCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "625": {"pro_comp_id": 378, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "378_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCOCCOCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "626": {"pro_comp_id": 379, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "379_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 0}, "627": {"pro_comp_id": 379, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "379_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 1}, "628": {"pro_comp_id": 380, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "380_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 0}, "629": {"pro_comp_id": 380, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "380_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 1}, "630": {"pro_comp_id": 381, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "381_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 0}, "631": {"pro_comp_id": 381, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "381_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 1}, "632": {"pro_comp_id": 382, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "382_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 0}, "633": {"pro_comp_id": 382, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "382_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 1}, "634": {"pro_comp_id": 383, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "383_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "635": {"pro_comp_id": 383, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "383_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "636": {"pro_comp_id": 384, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "384_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 0}, "637": {"pro_comp_id": 384, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "384_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 1}, "638": {"pro_comp_id": 385, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "385_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 0}, "639": {"pro_comp_id": 385, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "385_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 1}, "640": {"pro_comp_id": 386, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "386_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 1}, "641": {"pro_comp_id": 386, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "386_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 1}, "642": {"pro_comp_id": 387, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "387_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCCC6=CC=CC7=C6CN(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 1}, "643": {"pro_comp_id": 387, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "387_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCCC6=CC=CC7=C6CN(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 1}, "644": {"pro_comp_id": 388, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "388_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)C5=CN(CCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "645": {"pro_comp_id": 388, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "388_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)C5=CN(CCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "646": {"pro_comp_id": 389, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "389_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CC5=CN(CCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "647": {"pro_comp_id": 389, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "389_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CC5=CN(CCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "648": {"pro_comp_id": 390, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "390_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CCC5=CN(CCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "649": {"pro_comp_id": 390, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "390_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CCC5=CN(CCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "650": {"pro_comp_id": 391, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "391_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CCCC5=CN(CCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "651": {"pro_comp_id": 391, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "391_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CCCC5=CN(CCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "652": {"pro_comp_id": 392, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "392_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCC#CC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 0}, "653": {"pro_comp_id": 392, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "392_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCC#CC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 1}, "654": {"pro_comp_id": 393, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "393_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCC#CC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 0}, "655": {"pro_comp_id": 393, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "393_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCC#CC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 1}, "656": {"pro_comp_id": 394, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_54_lig_smina_out.mol2", "protac_path": "394_protac.mol2", "smiles": "CC1=NC2=C(F)C=C(C3=NC(NC4=CC=C(CN5CCN(CC6=CN(CCOCCNC7=CC=CC8=C7C(=O)N(C7CCC(=O)NC7=O)C8=O)N=N6)CC5)C=N4)=NC=C3F)C=C2N1C(C)C", "label": 0}, "657": {"pro_comp_id": 394, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_54_lig_smina_out.mol2", "protac_path": "394_protac.mol2", "smiles": "CC1=NC2=C(F)C=C(C3=NC(NC4=CC=C(CN5CCN(CC6=CN(CCOCCNC7=CC=CC8=C7C(=O)N(C7CCC(=O)NC7=O)C8=O)N=N6)CC5)C=N4)=NC=C3F)C=C2N1C(C)C", "label": 1}, "658": {"pro_comp_id": 395, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_54_lig_smina_out.mol2", "protac_path": "395_protac.mol2", "smiles": "CC1=NC2=C(F)C=C(C3=NC(NC4=CC=C(CN5CCN(CC6=CN(CCOCCOCCNC7=CC=CC8=C7C(=O)N(C7CCC(=O)NC7=O)C8=O)N=N6)CC5)C=N4)=NC=C3F)C=C2N1C(C)C", "label": 0}, "659": {"pro_comp_id": 395, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_54_lig_smina_out.mol2", "protac_path": "395_protac.mol2", "smiles": "CC1=NC2=C(F)C=C(C3=NC(NC4=CC=C(CN5CCN(CC6=CN(CCOCCOCCNC7=CC=CC8=C7C(=O)N(C7CCC(=O)NC7=O)C8=O)N=N6)CC5)C=N4)=NC=C3F)C=C2N1C(C)C", "label": 0}, "660": {"pro_comp_id": 396, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_54_lig_smina_out.mol2", "protac_path": "396_protac.mol2", "smiles": "CC1=NC2=C(F)C=C(C3=NC(NC4=CC=C(CN5CCN(CC6=CN(CCOCCOCCOCCNC7=CC=CC8=C7C(=O)N(C7CCC(=O)NC7=O)C8=O)N=N6)CC5)C=N4)=NC=C3F)C=C2N1C(C)C", "label": 0}, "661": {"pro_comp_id": 396, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_54_lig_smina_out.mol2", "protac_path": "396_protac.mol2", "smiles": "CC1=NC2=C(F)C=C(C3=NC(NC4=CC=C(CN5CCN(CC6=CN(CCOCCOCCOCCNC7=CC=CC8=C7C(=O)N(C7CCC(=O)NC7=O)C8=O)N=N6)CC5)C=N4)=NC=C3F)C=C2N1C(C)C", "label": 0}, "662": {"pro_comp_id": 397, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_54_lig_smina_out.mol2", "protac_path": "397_protac.mol2", "smiles": "CC1=NC2=C(F)C=C(C3=NC(NC4=CC=C(CN5CCN(CC6=CN(CCOCCOCCOCCOCCNC7=CC=CC8=C7C(=O)N(C7CCC(=O)NC7=O)C8=O)N=N6)CC5)C=N4)=NC=C3F)C=C2N1C(C)C", "label": 0}, "663": {"pro_comp_id": 397, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_54_lig_smina_out.mol2", "protac_path": "397_protac.mol2", "smiles": "CC1=NC2=C(F)C=C(C3=NC(NC4=CC=C(CN5CCN(CC6=CN(CCOCCOCCOCCOCCNC7=CC=CC8=C7C(=O)N(C7CCC(=O)NC7=O)C8=O)N=N6)CC5)C=N4)=NC=C3F)C=C2N1C(C)C", "label": 0}, "664": {"pro_comp_id": 398, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BTK_Q06187_28_lig_smina_out.mol2", "protac_path": "398_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCC(=O)N3CCC[C@@H](N4N=C(C5=CC=C(OC6=CC=C(F)C=C6F)C=C5)C(C(N)=O)=C4N)C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "665": {"pro_comp_id": 399, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BTK_Q06187_28_lig_smina_out.mol2", "protac_path": "399_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCOCCC(=O)N3CCC[C@@H](N4N=C(C5=CC=C(OC6=CC=C(F)C=C6F)C=C5)C(C(N)=O)=C4N)C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "678": {"pro_comp_id": 412, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "412_protac.mol2", "smiles": "COC(=O)C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C2=C(SC(C(=O)NCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2C)N2C(C)=NN=C12", "label": 0}, "679": {"pro_comp_id": 412, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "412_protac.mol2", "smiles": "COC(=O)C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C2=C(SC(C(=O)NCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2C)N2C(C)=NN=C12", "label": 0}, "680": {"pro_comp_id": 412, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "412_protac.mol2", "smiles": "COC(=O)C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C2=C(SC(C(=O)NCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2C)N2C(C)=NN=C12", "label": 0}, "681": {"pro_comp_id": 413, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_37_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "413_protac.mol2", "smiles": "COC1=CC=C(C2=N[C@H](C3=CC=C(Cl)C=C3)[C@H](C3=CC=C(Cl)C=C3)N2C(=O)N2CCN(CC(=O)NCCOCCN3C=C(CN4CCN(C5=CC=C(NC6=NC=C7C(C)=C(C(C)=O)C(=O)N(C8CCCC8)C7=N6)N=C5)CC4)N=N3)C(=O)C2)C(OC(C)C)=C1", "label": 0}, "682": {"pro_comp_id": 413, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_37_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "413_protac.mol2", "smiles": "COC1=CC=C(C2=N[C@H](C3=CC=C(Cl)C=C3)[C@H](C3=CC=C(Cl)C=C3)N2C(=O)N2CCN(CC(=O)NCCOCCN3C=C(CN4CCN(C5=CC=C(NC6=NC=C7C(C)=C(C(C)=O)C(=O)N(C8CCCC8)C7=N6)N=C5)CC4)N=N3)C(=O)C2)C(OC(C)C)=C1", "label": 0}, "683": {"pro_comp_id": 414, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_37_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "414_protac.mol2", "smiles": "COC1=CC=C(C2=N[C@H](C3=CC=C(Cl)C=C3)[C@H](C3=CC=C(Cl)C=C3)N2C(=O)N2CCN(CC(=O)NCCOCCOCCN3C=C(CN4CCN(C5=CC=C(NC6=NC=C7C(C)=C(C(C)=O)C(=O)N(C8CCCC8)C7=N6)N=C5)CC4)N=N3)C(=O)C2)C(OC(C)C)=C1", "label": 0}, "684": {"pro_comp_id": 414, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_37_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "414_protac.mol2", "smiles": "COC1=CC=C(C2=N[C@H](C3=CC=C(Cl)C=C3)[C@H](C3=CC=C(Cl)C=C3)N2C(=O)N2CCN(CC(=O)NCCOCCOCCN3C=C(CN4CCN(C5=CC=C(NC6=NC=C7C(C)=C(C(C)=O)C(=O)N(C8CCCC8)C7=N6)N=C5)CC4)N=N3)C(=O)C2)C(OC(C)C)=C1", "label": 0}, "685": {"pro_comp_id": 415, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_37_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "415_protac.mol2", "smiles": "COC1=CC=C(C2=N[C@H](C3=CC=C(Cl)C=C3)[C@H](C3=CC=C(Cl)C=C3)N2C(=O)N2CCN(CC(=O)NCCOCCOCCOCCN3C=C(CN4CCN(C5=CC=C(NC6=NC=C7C(C)=C(C(C)=O)C(=O)N(C8CCCC8)C7=N6)N=C5)CC4)N=N3)C(=O)C2)C(OC(C)C)=C1", "label": 0}, "686": {"pro_comp_id": 415, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_37_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "415_protac.mol2", "smiles": "COC1=CC=C(C2=N[C@H](C3=CC=C(Cl)C=C3)[C@H](C3=CC=C(Cl)C=C3)N2C(=O)N2CCN(CC(=O)NCCOCCOCCOCCN3C=C(CN4CCN(C5=CC=C(NC6=NC=C7C(C)=C(C(C)=O)C(=O)N(C8CCCC8)C7=N6)N=C5)CC4)N=N3)C(=O)C2)C(OC(C)C)=C1", "label": 0}, "687": {"pro_comp_id": 416, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "416_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCOCCNC(=O)CCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 0}, "688": {"pro_comp_id": 416, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "416_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCOCCNC(=O)CCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 0}, "689": {"pro_comp_id": 417, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "417_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCOCCOCCNC(=O)CCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 0}, "690": {"pro_comp_id": 417, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "417_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCOCCOCCNC(=O)CCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 0}, "691": {"pro_comp_id": 418, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "418_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCOCCOCCOCCNC(=O)CCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 0}, "692": {"pro_comp_id": 418, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "418_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCOCCOCCOCCNC(=O)CCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 0}, "693": {"pro_comp_id": 419, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "419_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCOCCOCCOCCOCCNC(=O)CCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 0}, "694": {"pro_comp_id": 419, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "419_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCOCCOCCOCCOCCNC(=O)CCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 0}, "695": {"pro_comp_id": 420, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_38_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "420_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCOCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CC6=CC=CC=C6)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 0}, "696": {"pro_comp_id": 420, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_38_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "420_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCOCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CC6=CC=CC=C6)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 0}, "697": {"pro_comp_id": 421, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_38_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "421_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCOCCOCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CC6=CC=CC=C6)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 0}, "698": {"pro_comp_id": 421, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_38_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "421_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCOCCOCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CC6=CC=CC=C6)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 0}, "699": {"pro_comp_id": 422, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_38_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "422_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCOCCOCCOCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CC6=CC=CC=C6)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 0}, "700": {"pro_comp_id": 422, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_38_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "422_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCOCCOCCOCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CC6=CC=CC=C6)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 0}, "701": {"pro_comp_id": 423, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_38_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "423_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCOCCOCCOCCOCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CC6=CC=CC=C6)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 0}, "702": {"pro_comp_id": 423, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_38_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "423_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCOCCOCCOCCOCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CC6=CC=CC=C6)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 0}, "703": {"pro_comp_id": 424, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_55_lig_smina_out.mol2", "protac_path": "424_protac.mol2", "smiles": "CN(C)C(=O)C1=CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N1C1CCCC1", "label": 0}, "704": {"pro_comp_id": 424, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_55_lig_smina_out.mol2", "protac_path": "424_protac.mol2", "smiles": "CN(C)C(=O)C1=CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N1C1CCCC1", "label": 0}, "705": {"pro_comp_id": 425, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_55_lig_smina_out.mol2", "protac_path": "425_protac.mol2", "smiles": "CN(C)C(=O)C1=CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N1C1CCCC1", "label": 0}, "706": {"pro_comp_id": 425, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_55_lig_smina_out.mol2", "protac_path": "425_protac.mol2", "smiles": "CN(C)C(=O)C1=CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N1C1CCCC1", "label": 0}, "707": {"pro_comp_id": 426, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_55_lig_smina_out.mol2", "protac_path": "426_protac.mol2", "smiles": "CN(C)C(=O)C1=CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCOCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N1C1CCCC1", "label": 0}, "708": {"pro_comp_id": 426, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_55_lig_smina_out.mol2", "protac_path": "426_protac.mol2", "smiles": "CN(C)C(=O)C1=CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCOCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N1C1CCCC1", "label": 0}, "709": {"pro_comp_id": 427, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK1_Q02750_56_lig_smina_out.mol2", "protac_path": "427_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)CCC3=CC=C(S(=O)(=O)NC4=C(NC5=CC=C(I)C=C5F)N(C)C(=O)C(C)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "710": {"pro_comp_id": 427, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK2_P36507_56_lig_smina_out.mol2", "protac_path": "427_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)CCC3=CC=C(S(=O)(=O)NC4=C(NC5=CC=C(I)C=C5F)N(C)C(=O)C(C)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "711": {"pro_comp_id": 428, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK1_Q02750_56_lig_smina_out.mol2", "protac_path": "428_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCNC(=O)CCC3=CC=C(S(=O)(=O)NC4=C(NC5=CC=C(I)C=C5F)N(C)C(=O)C(C)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "712": {"pro_comp_id": 428, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK2_P36507_56_lig_smina_out.mol2", "protac_path": "428_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCNC(=O)CCC3=CC=C(S(=O)(=O)NC4=C(NC5=CC=C(I)C=C5F)N(C)C(=O)C(C)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "713": {"pro_comp_id": 429, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK1_Q02750_56_lig_smina_out.mol2", "protac_path": "429_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)COC3=CC=C(S(=O)(=O)NC4=C(NC5=CC=C(I)C=C5F)N(C)C(=O)C(C)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "714": {"pro_comp_id": 429, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK2_P36507_56_lig_smina_out.mol2", "protac_path": "429_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)COC3=CC=C(S(=O)(=O)NC4=C(NC5=CC=C(I)C=C5F)N(C)C(=O)C(C)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "715": {"pro_comp_id": 430, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK1_Q02750_56_lig_smina_out.mol2", "protac_path": "430_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCNC(=O)COC3=CC=C(S(=O)(=O)NC4=C(NC5=CC=C(I)C=C5F)N(C)C(=O)C(C)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "716": {"pro_comp_id": 431, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK1_Q02750_56_lig_smina_out.mol2", "protac_path": "431_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C3=CC=C(S(=O)(=O)NC4=C(NC5=CC=C(I)C=C5F)N(C)C(=O)C(C)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "717": {"pro_comp_id": 432, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK1_Q02750_56_lig_smina_out.mol2", "protac_path": "432_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCNC(=O)C3=CC=C(S(=O)(=O)NC4=C(NC5=CC=C(I)C=C5F)N(C)C(=O)C(C)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "718": {"pro_comp_id": 433, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK1_Q02750_56_lig_smina_out.mol2", "protac_path": "433_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNCC3=CC=C(S(=O)(=O)NC4=C(NC5=CC=C(I)C=C5F)N(C)C(=O)C(C)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "719": {"pro_comp_id": 434, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK1_Q02750_56_lig_smina_out.mol2", "protac_path": "434_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCNCC3=CC=C(S(=O)(=O)NC4=C(NC5=CC=C(I)C=C5F)N(C)C(=O)C(C)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "720": {"pro_comp_id": 435, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK1_Q02750_56_lig_smina_out.mol2", "protac_path": "435_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)CC3=CC=C(S(=O)(=O)NC4=C(NC5=CC=C(I)C=C5F)N(C)C(=O)C(C)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "721": {"pro_comp_id": 436, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK1_Q02750_56_lig_smina_out.mol2", "protac_path": "436_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCNC(=O)CC3=CC=C(S(=O)(=O)NC4=C(NC5=CC=C(I)C=C5F)N(C)C(=O)C(C)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "722": {"pro_comp_id": 437, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MEK1_Q02750_56_lig_smina_out.mol2", "protac_path": "437_protac.mol2", "smiles": "CC1=CC(NS(=O)(=O)C2=CC=C(C(=O)NCCOCCOCCOCC(=O)NC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C2)=C(NC2=CC=C(I)C=C2F)N(C)C1=O", "label": 0}, "723": {"pro_comp_id": 438, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MEK1_Q02750_56_lig_smina_out.mol2", "protac_path": "438_protac.mol2", "smiles": "CC1=CC(NS(=O)(=O)C2=CC=C(C(=O)NCCOCCOCCOCCOCC(=O)NC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C2)=C(NC2=CC=C(I)C=C2F)N(C)C1=O", "label": 0}, "724": {"pro_comp_id": 439, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MEK1_Q02750_56_lig_smina_out.mol2", "protac_path": "439_protac.mol2", "smiles": "CC1=CC(NS(=O)(=O)C2=CC=C(CNCCOCCOCCOCC(=O)NC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C2)=C(NC2=CC=C(I)C=C2F)N(C)C1=O", "label": 0}, "725": {"pro_comp_id": 440, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MEK1_Q02750_56_lig_smina_out.mol2", "protac_path": "440_protac.mol2", "smiles": "CC1=CC(NS(=O)(=O)C2=CC=C(CNCCOCCOCCOCCOCC(=O)NC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C2)=C(NC2=CC=C(I)C=C2F)N(C)C1=O", "label": 0}, "726": {"pro_comp_id": 441, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MEK1_Q02750_56_lig_smina_out.mol2", "protac_path": "441_protac.mol2", "smiles": "CC1=CC(NS(=O)(=O)C2=CC=C(CC(=O)NCCOCCOCCOCC(=O)NC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C2)=C(NC2=CC=C(I)C=C2F)N(C)C1=O", "label": 0}, "727": {"pro_comp_id": 442, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MEK1_Q02750_56_lig_smina_out.mol2", "protac_path": "442_protac.mol2", "smiles": "CC1=CC(NS(=O)(=O)C2=CC=C(CC(=O)NCCOCCOCCOCCOCC(=O)NC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C2)=C(NC2=CC=C(I)C=C2F)N(C)C1=O", "label": 0}, "728": {"pro_comp_id": 443, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MEK1_Q02750_56_lig_smina_out.mol2", "protac_path": "443_protac.mol2", "smiles": "CC1=CC(NS(=O)(=O)C2=CC=C(CCC(=O)NCCOCCOCCOCC(=O)NC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C2)=C(NC2=CC=C(I)C=C2F)N(C)C1=O", "label": 0}, "729": {"pro_comp_id": 444, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MEK1_Q02750_56_lig_smina_out.mol2", "protac_path": "444_protac.mol2", "smiles": "CC1=CC(NS(=O)(=O)C2=CC=C(CCC(=O)NCCOCCOCCOCCOCC(=O)NC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C2)=C(NC2=CC=C(I)C=C2F)N(C)C1=O", "label": 0}, "730": {"pro_comp_id": 445, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MEK1_Q02750_56_lig_smina_out.mol2", "protac_path": "445_protac.mol2", "smiles": "CC1=CC(NS(=O)(=O)C2=CC=C(OCC(=O)NCCOCCOCCOCC(=O)NC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C2)=C(NC2=CC=C(I)C=C2F)N(C)C1=O", "label": 0}, "731": {"pro_comp_id": 446, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MEK1_Q02750_56_lig_smina_out.mol2", "protac_path": "446_protac.mol2", "smiles": "CC1=CC(NS(=O)(=O)C2=CC=C(OCC(=O)NCCOCCOCCOCCOCC(=O)NC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C2)=C(NC2=CC=C(I)C=C2F)N(C)C1=O", "label": 0}, "732": {"pro_comp_id": 447, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MEK1_Q02750_56_lig_smina_out.mol2", "protac_path": "447_protac.mol2", "smiles": "CC1=CC(NS(=O)(=O)C2=CC=C(C(=O)NCCOCCOCCOCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=C(NC2=CC=C(I)C=C2F)N(C)C1=O", "label": 0}, "733": {"pro_comp_id": 448, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MEK1_Q02750_56_lig_smina_out.mol2", "protac_path": "448_protac.mol2", "smiles": "CC1=CC(NS(=O)(=O)C2=CC=C(C(=O)NCCOCCOCCOCCOCCOCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=C(NC2=CC=C(I)C=C2F)N(C)C1=O", "label": 0}, "734": {"pro_comp_id": 449, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MEK1_Q02750_56_lig_smina_out.mol2", "protac_path": "449_protac.mol2", "smiles": "CC1=CC(NS(=O)(=O)C2=CC=C(CNCCOCCOCCOCCOCCOCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=C(NC2=CC=C(I)C=C2F)N(C)C1=O", "label": 0}, "735": {"pro_comp_id": 450, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MEK1_Q02750_56_lig_smina_out.mol2", "protac_path": "450_protac.mol2", "smiles": "CC1=CC(NS(=O)(=O)C2=CC=C(CNCCOCCOCCOCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=C(NC2=CC=C(I)C=C2F)N(C)C1=O", "label": 0}, "736": {"pro_comp_id": 451, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MEK1_Q02750_56_lig_smina_out.mol2", "protac_path": "451_protac.mol2", "smiles": "CC1=CC(NS(=O)(=O)C2=CC=C(CC(=O)NCCOCCOCCOCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=C(NC2=CC=C(I)C=C2F)N(C)C1=O", "label": 0}, "737": {"pro_comp_id": 452, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MEK1_Q02750_56_lig_smina_out.mol2", "protac_path": "452_protac.mol2", "smiles": "CC1=CC(NS(=O)(=O)C2=CC=C(CC(=O)NCCOCCOCCOCCOCCOCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=C(NC2=CC=C(I)C=C2F)N(C)C1=O", "label": 0}, "738": {"pro_comp_id": 453, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MEK1_Q02750_56_lig_smina_out.mol2", "protac_path": "453_protac.mol2", "smiles": "CC1=CC(NS(=O)(=O)C2=CC=C(CCC(=O)NCCOCCOCCOCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=C(NC2=CC=C(I)C=C2F)N(C)C1=O", "label": 0}, "739": {"pro_comp_id": 454, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MEK1_Q02750_56_lig_smina_out.mol2", "protac_path": "454_protac.mol2", "smiles": "CC1=CC(NS(=O)(=O)C2=CC=C(CCC(=O)NCCOCCOCCOCCOCCOCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=C(NC2=CC=C(I)C=C2F)N(C)C1=O", "label": 0}, "740": {"pro_comp_id": 455, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MEK1_Q02750_56_lig_smina_out.mol2", "protac_path": "455_protac.mol2", "smiles": "CC1=CC(NS(=O)(=O)C2=CC=C(OCC(=O)NCCOCCOCCOCCOCCOCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=C(NC2=CC=C(I)C=C2F)N(C)C1=O", "label": 0}, "760": {"pro_comp_id": 475, "tar_path": "STAT3_P40763.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT3_P40763_57_lig_smina_out.mol2", "protac_path": "475_protac.mol2", "smiles": "NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C(=O)CCCC#CC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C[C@H](NC(=O)C3=CC4=CC(C(F)(F)P(=O)(O)O)=CC=C4[NH]3)C(=O)N12)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1", "label": 0}, "761": {"pro_comp_id": 476, "tar_path": "STAT3_P40763.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT3_P40763_57_lig_smina_out.mol2", "protac_path": "476_protac.mol2", "smiles": "NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C(=O)CCCCC#CC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C[C@H](NC(=O)C3=CC4=CC(C(F)(F)P(=O)(O)O)=CC=C4[NH]3)C(=O)N12)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1", "label": 0}, "762": {"pro_comp_id": 477, "tar_path": "STAT3_P40763.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT3_P40763_57_lig_smina_out.mol2", "protac_path": "477_protac.mol2", "smiles": "NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C(=O)CCCCCC#CC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C[C@H](NC(=O)C3=CC4=CC(C(F)(F)P(=O)(O)O)=CC=C4[NH]3)C(=O)N12)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1", "label": 1}, "763": {"pro_comp_id": 478, "tar_path": "STAT3_P40763.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT3_P40763_57_lig_smina_out.mol2", "protac_path": "478_protac.mol2", "smiles": "NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C(=O)CCCCCCC#CC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C[C@H](NC(=O)C3=CC4=CC(C(F)(F)P(=O)(O)O)=CC=C4[NH]3)C(=O)N12)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1", "label": 1}, "764": {"pro_comp_id": 479, "tar_path": "STAT3_P40763.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT3_P40763_57_lig_smina_out.mol2", "protac_path": "479_protac.mol2", "smiles": "NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C(=O)CCCCCCCCC#CC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C[C@H](NC(=O)C3=CC4=CC(C(F)(F)P(=O)(O)O)=CC=C4[NH]3)C(=O)N12)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1", "label": 0}, "765": {"pro_comp_id": 480, "tar_path": "STAT3_P40763.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT3_P40763_57_lig_smina_out.mol2", "protac_path": "480_protac.mol2", "smiles": "NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(CCCCCCC#CC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C[C@H](NC(=O)C3=CC4=CC(C(F)(F)P(=O)(O)O)=CC=C4[NH]3)C(=O)N12)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1", "label": 0}, "766": {"pro_comp_id": 481, "tar_path": "STAT3_P40763.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT3_P40763_57_lig_smina_out.mol2", "protac_path": "481_protac.mol2", "smiles": "NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C(=O)OCCCCC#CC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C[C@H](NC(=O)C3=CC4=CC(C(F)(F)P(=O)(O)O)=CC=C4[NH]3)C(=O)N12)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1", "label": 1}, "767": {"pro_comp_id": 482, "tar_path": "STAT3_P40763.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT3_P40763_57_lig_smina_out.mol2", "protac_path": "482_protac.mol2", "smiles": "NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C(=O)NCCCCC#CC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C[C@H](NC(=O)C3=CC4=CC(C(F)(F)P(=O)(O)O)=CC=C4[NH]3)C(=O)N12)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1", "label": 1}, "768": {"pro_comp_id": 483, "tar_path": "STAT3_P40763.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT3_P40763_57_lig_smina_out.mol2", "protac_path": "483_protac.mol2", "smiles": "NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C(=O)C3=CN(CCCC#CC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)N=C3)C[C@H](NC(=O)C3=CC4=CC(C(F)(F)P(=O)(O)O)=CC=C4[NH]3)C(=O)N12)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1", "label": 0}, "769": {"pro_comp_id": 484, "tar_path": "STAT3_P40763.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT3_P40763_57_lig_smina_out.mol2", "protac_path": "484_protac.mol2", "smiles": "NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C(=O)CCCN3C=C(C#CC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)C=N3)C[C@H](NC(=O)C3=CC4=CC(C(F)(F)P(=O)(O)O)=CC=C4[NH]3)C(=O)N12)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1", "label": 0}, "770": {"pro_comp_id": 485, "tar_path": "STAT3_P40763.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT3_P40763_57_lig_smina_out.mol2", "protac_path": "485_protac.mol2", "smiles": "NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C(=O)N3CCC(CCC#CC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)C[C@H](NC(=O)C3=CC4=CC(C(F)(F)P(=O)(O)O)=CC=C4[NH]3)C(=O)N12)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1", "label": 0}, "771": {"pro_comp_id": 486, "tar_path": "STAT3_P40763.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT3_P40763_57_lig_smina_out.mol2", "protac_path": "486_protac.mol2", "smiles": "NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C(=O)CCN3CCC(C#CC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)C[C@H](NC(=O)C3=CC4=CC(C(F)(F)P(=O)(O)O)=CC=C4[NH]3)C(=O)N12)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1", "label": 0}, "772": {"pro_comp_id": 487, "tar_path": "STAT3_P40763.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT3_P40763_57_lig_smina_out.mol2", "protac_path": "487_protac.mol2", "smiles": "NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C(=O)CC(=O)N3CCC(C#CC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)C[C@H](NC(=O)C3=CC4=CC(C(F)(F)P(=O)(O)O)=CC=C4[NH]3)C(=O)N12)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1", "label": 0}, "773": {"pro_comp_id": 488, "tar_path": "STAT3_P40763.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT3_P40763_57_lig_smina_out.mol2", "protac_path": "488_protac.mol2", "smiles": "NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C(=O)CCCCCCCC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C[C@H](NC(=O)C3=CC4=CC(C(F)(F)P(=O)(O)O)=CC=C4[NH]3)C(=O)N12)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1", "label": 0}, "774": {"pro_comp_id": 489, "tar_path": "STAT3_P40763.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT3_P40763_57_lig_smina_out.mol2", "protac_path": "489_protac.mol2", "smiles": "NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C(=O)CCCCCCNC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C[C@H](NC(=O)C3=CC4=CC(C(F)(F)P(=O)(O)O)=CC=C4[NH]3)C(=O)N12)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1", "label": 1}, "775": {"pro_comp_id": 490, "tar_path": "STAT3_P40763.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "STAT3_P40763_57_lig_smina_out.mol2", "protac_path": "490_protac.mol2", "smiles": "NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C(=O)CCCCCC#CC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C[C@H](NC(=O)C3=CC4=CC(C(F)(F)P(=O)(O)O)=CC=C4[NH]3)C(=O)N12)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1", "label": 0}, "776": {"pro_comp_id": 491, "tar_path": "STAT3_P40763.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT3_P40763_57_lig_smina_out.mol2", "protac_path": "491_protac.mol2", "smiles": "NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C(=O)CCCCCC#CC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)CC4=C3)C[C@H](NC(=O)C3=CC4=CC(C(F)(F)P(=O)(O)O)=CC=C4[NH]3)C(=O)N12)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1", "label": 0}, "777": {"pro_comp_id": 492, "tar_path": "STAT3_P40763.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT3_P40763_57_lig_smina_out.mol2", "protac_path": "492_protac.mol2", "smiles": "NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C(=O)CCCCCC#CC3=CC=C4CN(C5CCC(=O)NC5=O)C(=O)C4=C3)C[C@H](NC(=O)C3=CC4=CC(C(F)(F)P(=O)(O)O)=CC=C4[NH]3)C(=O)N12)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1", "label": 0}, "778": {"pro_comp_id": 493, "tar_path": "STAT3_P40763.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT3_P40763_58_lig_smina_out.mol2", "protac_path": "493_protac.mol2", "smiles": "NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C(=O)CCCCCC#CC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C[C@H](NC(=O)C3=CC4=CC(C(F)(F)P(=O)(O)O)=CC=C4[NH]3)C(=O)N12)C(=O)NCC1=CC=CC=C1", "label": 1}, "779": {"pro_comp_id": 494, "tar_path": "STAT3_P40763.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT3_P40763_57_lig_smina_out.mol2", "protac_path": "494_protac.mol2", "smiles": "CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CC[C@@H]2CCN(C(=O)CCCCCC#CC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C[C@H](NC(=O)C3=CC4=CC(C(F)(F)P(=O)(O)O)=CC=C4[NH]3)C(=O)N12", "label": 0}, "780": {"pro_comp_id": 495, "tar_path": "STAT3_P40763.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT3_P40763_59_lig_smina_out.mol2", "protac_path": "495_protac.mol2", "smiles": "NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C(=O)CCCCCC#CC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C[C@H](NC(=O)C3=CC4=CC(OP(=O)(O)O)=CC=C4[NH]3)C(=O)N12)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1", "label": 0}, "781": {"pro_comp_id": 496, "tar_path": "STAT3_P40763.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT3_P40763_60_lig_smina_out.mol2", "protac_path": "496_protac.mol2", "smiles": "NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C(=O)CCCCCC#CC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C[C@H](NC(=O)C3=CC4=CC(CP(=O)(O)O)=CC=C4[NH]3)C(=O)N12)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1", "label": 0}, "782": {"pro_comp_id": 497, "tar_path": "STAT3_P40763.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT3_P40763_61_lig_smina_out.mol2", "protac_path": "497_protac.mol2", "smiles": "C/C(=C\\C(=O)N[C@H]1CN(C(=O)CCCCCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)CC[C@H]2CC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C3=CC=CC=C3)C3=CC=CC=C3)N2C1=O)C1=CC=C(C(F)(F)P(=O)(O)O)C=C1", "label": 0}, "783": {"pro_comp_id": 498, "tar_path": "BCL2_P10415.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BCL2_P10415_62_lig_smina_out.mol2", "protac_path": "498_protac.mol2", "smiles": "O=C(CCCCC(=O)NCCN1C(=O)C2=CC=CC3=C(SC4=CC=C(Br)C=C4)C=CC(=C23)C1=O)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "784": {"pro_comp_id": 498, "tar_path": "MCL1_Q07820.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MCL1_Q07820_62_lig_smina_out.mol2", "protac_path": "498_protac.mol2", "smiles": "O=C(CCCCC(=O)NCCN1C(=O)C2=CC=CC3=C(SC4=CC=C(Br)C=C4)C=CC(=C23)C1=O)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "785": {"pro_comp_id": 499, "tar_path": "BCL2_P10415.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BCL2_P10415_62_lig_smina_out.mol2", "protac_path": "499_protac.mol2", "smiles": "O=C(CCCCC(=O)NCCN1C(=O)C2=CC=CC3=C(SC4=CC=C(Br)C=C4)C=CC(=C23)C1=O)NCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "786": {"pro_comp_id": 499, "tar_path": "MCL1_Q07820.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MCL1_Q07820_62_lig_smina_out.mol2", "protac_path": "499_protac.mol2", "smiles": "O=C(CCCCC(=O)NCCN1C(=O)C2=CC=CC3=C(SC4=CC=C(Br)C=C4)C=CC(=C23)C1=O)NCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "787": {"pro_comp_id": 500, "tar_path": "BCL2_P10415.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BCL2_P10415_62_lig_smina_out.mol2", "protac_path": "500_protac.mol2", "smiles": "O=C(CCCCC(=O)NCCN1C(=O)C2=CC=CC3=C(SC4=CC=C(Br)C=C4)C=CC(=C23)C1=O)NCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "788": {"pro_comp_id": 500, "tar_path": "MCL1_Q07820.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MCL1_Q07820_62_lig_smina_out.mol2", "protac_path": "500_protac.mol2", "smiles": "O=C(CCCCC(=O)NCCN1C(=O)C2=CC=CC3=C(SC4=CC=C(Br)C=C4)C=CC(=C23)C1=O)NCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 0}, "789": {"pro_comp_id": 501, "tar_path": "BCL2_P10415.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BCL2_P10415_62_lig_smina_out.mol2", "protac_path": "501_protac.mol2", "smiles": "O=C(CCCCCNC(=O)CCCCC(=O)NCCN1C(=O)C2=CC=CC3=C(SC4=CC=C(Br)C=C4)C=CC(=C23)C1=O)NCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "790": {"pro_comp_id": 501, "tar_path": "MCL1_Q07820.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MCL1_Q07820_62_lig_smina_out.mol2", "protac_path": "501_protac.mol2", "smiles": "O=C(CCCCCNC(=O)CCCCC(=O)NCCN1C(=O)C2=CC=CC3=C(SC4=CC=C(Br)C=C4)C=CC(=C23)C1=O)NCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "791": {"pro_comp_id": 502, "tar_path": "MCL1_Q07820.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MCL1_Q07820_62_lig_smina_out.mol2", "protac_path": "502_protac.mol2", "smiles": "O=C(CCCCC(=O)NCCN1C(=O)C2=CC=CC3=C(SC4=CC=C(Br)C=C4)C=CC(=C23)C1=O)NCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "792": {"pro_comp_id": 502, "tar_path": "BCL2_P10415.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BCL2_P10415_62_lig_smina_out.mol2", "protac_path": "502_protac.mol2", "smiles": "O=C(CCCCC(=O)NCCN1C(=O)C2=CC=CC3=C(SC4=CC=C(Br)C=C4)C=CC(=C23)C1=O)NCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 0}, "793": {"pro_comp_id": 503, "tar_path": "BCL2_P10415.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BCL2_P10415_62_lig_smina_out.mol2", "protac_path": "503_protac.mol2", "smiles": "O=C(CCCCC(=O)NCCN1C(=O)C2=CC=CC3=C(SC4=CC=C(Br)C=C4)C=CC(=C23)C1=O)NCCCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "794": {"pro_comp_id": 503, "tar_path": "MCL1_Q07820.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MCL1_Q07820_62_lig_smina_out.mol2", "protac_path": "503_protac.mol2", "smiles": "O=C(CCCCC(=O)NCCN1C(=O)C2=CC=CC3=C(SC4=CC=C(Br)C=C4)C=CC(=C23)C1=O)NCCCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "795": {"pro_comp_id": 504, "tar_path": "BCL2_P10415.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BCL2_P10415_63_lig_smina_out.mol2", "protac_path": "504_protac.mol2", "smiles": "N#CC1=C(NCCC(=O)NCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C2=C3C(=CC=CC3=C(SC3=CC=C(Br)C=C3)C=C2)C1=O", "label": -1}, "796": {"pro_comp_id": 504, "tar_path": "MCL1_Q07820.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MCL1_Q07820_63_lig_smina_out.mol2", "protac_path": "504_protac.mol2", "smiles": "N#CC1=C(NCCC(=O)NCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C2=C3C(=CC=CC3=C(SC3=CC=C(Br)C=C3)C=C2)C1=O", "label": -1}, "797": {"pro_comp_id": 505, "tar_path": "BCL2_P10415.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BCL2_P10415_63_lig_smina_out.mol2", "protac_path": "505_protac.mol2", "smiles": "N#CC1=C(NCCC(=O)NCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C2=C3C(=CC=CC3=C(SC3=CC=C(Br)C=C3)C=C2)C1=O", "label": -1}, "798": {"pro_comp_id": 505, "tar_path": "MCL1_Q07820.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MCL1_Q07820_63_lig_smina_out.mol2", "protac_path": "505_protac.mol2", "smiles": "N#CC1=C(NCCC(=O)NCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C2=C3C(=CC=CC3=C(SC3=CC=C(Br)C=C3)C=C2)C1=O", "label": -1}, "799": {"pro_comp_id": 506, "tar_path": "BCL2_P10415.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BCL2_P10415_63_lig_smina_out.mol2", "protac_path": "506_protac.mol2", "smiles": "N#CC1=C(NCCC(=O)NCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C2=C3C(=CC=CC3=C(SC3=CC=C(Br)C=C3)C=C2)C1=O", "label": -1}, "800": {"pro_comp_id": 506, "tar_path": "MCL1_Q07820.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MCL1_Q07820_63_lig_smina_out.mol2", "protac_path": "506_protac.mol2", "smiles": "N#CC1=C(NCCC(=O)NCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C2=C3C(=CC=CC3=C(SC3=CC=C(Br)C=C3)C=C2)C1=O", "label": -1}, "801": {"pro_comp_id": 507, "tar_path": "BCL2_P10415.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BCL2_P10415_63_lig_smina_out.mol2", "protac_path": "507_protac.mol2", "smiles": "N#CC1=C(NCCC(=O)NCCCCCC(=O)NCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C2=C3C(=CC=CC3=C(SC3=CC=C(Br)C=C3)C=C2)C1=O", "label": -1}, "802": {"pro_comp_id": 507, "tar_path": "MCL1_Q07820.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MCL1_Q07820_63_lig_smina_out.mol2", "protac_path": "507_protac.mol2", "smiles": "N#CC1=C(NCCC(=O)NCCCCCC(=O)NCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C2=C3C(=CC=CC3=C(SC3=CC=C(Br)C=C3)C=C2)C1=O", "label": -1}, "803": {"pro_comp_id": 508, "tar_path": "BCL2_P10415.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BCL2_P10415_63_lig_smina_out.mol2", "protac_path": "508_protac.mol2", "smiles": "N#CC1=C(NCCC(=O)NCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C2=C3C(=CC=CC3=C(SC3=CC=C(Br)C=C3)C=C2)C1=O", "label": -1}, "804": {"pro_comp_id": 508, "tar_path": "MCL1_Q07820.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MCL1_Q07820_63_lig_smina_out.mol2", "protac_path": "508_protac.mol2", "smiles": "N#CC1=C(NCCC(=O)NCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C2=C3C(=CC=CC3=C(SC3=CC=C(Br)C=C3)C=C2)C1=O", "label": -1}, "805": {"pro_comp_id": 509, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_64_lig_smina_out.mol2", "protac_path": "509_protac.mol2", "smiles": "COC1=CC(N2CCN(C(=O)CCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": -1}, "806": {"pro_comp_id": 510, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_64_lig_smina_out.mol2", "protac_path": "510_protac.mol2", "smiles": "COC1=CC(N2CCN(C(=O)CCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": -1}, "807": {"pro_comp_id": 511, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_64_lig_smina_out.mol2", "protac_path": "511_protac.mol2", "smiles": "COC1=CC(N2CCN(C(=O)CCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": -1}, "808": {"pro_comp_id": 512, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_64_lig_smina_out.mol2", "protac_path": "512_protac.mol2", "smiles": "COC1=CC(N2CCN(C(=O)CCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": -1}, "809": {"pro_comp_id": 513, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_64_lig_smina_out.mol2", "protac_path": "513_protac.mol2", "smiles": "COC1=CC(N2CCN(C(=O)CCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": 1}, "810": {"pro_comp_id": 514, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_64_lig_smina_out.mol2", "protac_path": "514_protac.mol2", "smiles": "COC1=CC(N2CCN(C(=O)CCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": 1}, "811": {"pro_comp_id": 515, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_64_lig_smina_out.mol2", "protac_path": "515_protac.mol2", "smiles": "COC1=CC(N2CCN(C(=O)CCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": 1}, "812": {"pro_comp_id": 516, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ALK_G1202R_Q9UM73_65_lig_smina_out.mol2", "protac_path": "516_protac.mol2", "smiles": "COC1=CC(N2CCC(NC(=O)CCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": -1}, "813": {"pro_comp_id": 517, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ALK_G1202R_Q9UM73_65_lig_smina_out.mol2", "protac_path": "517_protac.mol2", "smiles": "COC1=CC(N2CCC(NC(=O)CCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": -1}, "814": {"pro_comp_id": 518, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ALK_G1202R_Q9UM73_65_lig_smina_out.mol2", "protac_path": "518_protac.mol2", "smiles": "COC1=CC(N2CCC(NC(=O)CCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": -1}, "815": {"pro_comp_id": 519, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ALK_G1202R_Q9UM73_65_lig_smina_out.mol2", "protac_path": "519_protac.mol2", "smiles": "COC1=CC(N2CCC(NC(=O)CCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": -1}, "816": {"pro_comp_id": 520, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ALK_G1202R_Q9UM73_65_lig_smina_out.mol2", "protac_path": "520_protac.mol2", "smiles": "COC1=CC(N2CCC(NC(=O)CCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": 1}, "817": {"pro_comp_id": 521, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ALK_G1202R_Q9UM73_65_lig_smina_out.mol2", "protac_path": "521_protac.mol2", "smiles": "COC1=CC(N2CCC(NC(=O)CCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": 1}, "818": {"pro_comp_id": 522, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ALK_G1202R_Q9UM73_65_lig_smina_out.mol2", "protac_path": "522_protac.mol2", "smiles": "COC1=CC(N2CCC(NC(=O)CCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": 1}, "819": {"pro_comp_id": 523, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ALK_G1202R_Q9UM73_65_lig_smina_out.mol2", "protac_path": "523_protac.mol2", "smiles": "COC1=CC(N2CCC(NC(=O)CCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": 1}, "820": {"pro_comp_id": 523, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ALK_G1202R_Q9UM73_65_lig_smina_out.mol2", "protac_path": "523_protac.mol2", "smiles": "COC1=CC(N2CCC(NC(=O)CCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": 0}, "821": {"pro_comp_id": 524, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_66_lig_smina_out.mol2", "protac_path": "524_protac.mol2", "smiles": "COC1=CC(N2CCC(N3CCN(C(=O)CCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": -1}, "822": {"pro_comp_id": 525, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_66_lig_smina_out.mol2", "protac_path": "525_protac.mol2", "smiles": "COC1=CC(N2CCC(N3CCN(C(=O)CCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": -1}, "823": {"pro_comp_id": 526, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_66_lig_smina_out.mol2", "protac_path": "526_protac.mol2", "smiles": "COC1=CC(N2CCC(N3CCN(C(=O)CCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": -1}, "824": {"pro_comp_id": 527, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_66_lig_smina_out.mol2", "protac_path": "527_protac.mol2", "smiles": "COC1=CC(N2CCC(N3CCN(C(=O)CCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": -1}, "825": {"pro_comp_id": 528, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_66_lig_smina_out.mol2", "protac_path": "528_protac.mol2", "smiles": "COC1=CC(N2CCC(N3CCN(C(=O)CCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": 1}, "826": {"pro_comp_id": 529, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_66_lig_smina_out.mol2", "protac_path": "529_protac.mol2", "smiles": "COC1=CC(N2CCC(N3CCN(C(=O)CCCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": 1}, "827": {"pro_comp_id": 530, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_66_lig_smina_out.mol2", "protac_path": "530_protac.mol2", "smiles": "COC1=CC(N2CCC(N3CCN(C(=O)CCCCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": 1}, "828": {"pro_comp_id": 531, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_64_lig_smina_out.mol2", "protac_path": "531_protac.mol2", "smiles": "COC1=CC(N2CCN(C(=O)CCOCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": -1}, "829": {"pro_comp_id": 532, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_64_lig_smina_out.mol2", "protac_path": "532_protac.mol2", "smiles": "COC1=CC(N2CCN(C(=O)CCOCCOCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": -1}, "830": {"pro_comp_id": 533, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_64_lig_smina_out.mol2", "protac_path": "533_protac.mol2", "smiles": "COC1=CC(N2CCN(C(=O)CCOCCOCCOCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": -1}, "831": {"pro_comp_id": 534, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_64_lig_smina_out.mol2", "protac_path": "534_protac.mol2", "smiles": "COC1=CC(N2CCN(C(=O)CCOCCOCCOCCOCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": -1}, "832": {"pro_comp_id": 535, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ALK_G1202R_Q9UM73_65_lig_smina_out.mol2", "protac_path": "535_protac.mol2", "smiles": "COC1=CC(N2CCC(NC(=O)CCOCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": -1}, "833": {"pro_comp_id": 536, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ALK_G1202R_Q9UM73_65_lig_smina_out.mol2", "protac_path": "536_protac.mol2", "smiles": "COC1=CC(N2CCC(NC(=O)CCOCCOCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": -1}, "834": {"pro_comp_id": 537, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ALK_G1202R_Q9UM73_65_lig_smina_out.mol2", "protac_path": "537_protac.mol2", "smiles": "COC1=CC(N2CCC(NC(=O)CCOCCOCCOCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": -1}, "835": {"pro_comp_id": 538, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ALK_G1202R_Q9UM73_65_lig_smina_out.mol2", "protac_path": "538_protac.mol2", "smiles": "COC1=CC(N2CCC(NC(=O)CCOCCOCCOCCOCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": -1}, "836": {"pro_comp_id": 539, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_66_lig_smina_out.mol2", "protac_path": "539_protac.mol2", "smiles": "COC1=CC(N2CCC(N3CCN(C(=O)CCOCCOCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": -1}, "837": {"pro_comp_id": 540, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_66_lig_smina_out.mol2", "protac_path": "540_protac.mol2", "smiles": "COC1=CC(N2CCC(N3CCN(C(=O)CCOCCOCCOCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": -1}, "838": {"pro_comp_id": 541, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_66_lig_smina_out.mol2", "protac_path": "541_protac.mol2", "smiles": "COC1=CC(N2CCC(N3CCN(C(=O)CCOCCOCCOCCOCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": -1}, "839": {"pro_comp_id": 542, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_66_lig_smina_out.mol2", "protac_path": "542_protac.mol2", "smiles": "COC1=CC(N2CCC(N3CCN(C(=O)CCOCCOCCOCCOCCOCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": -1}, "840": {"pro_comp_id": 543, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AURKA_O14965_29_lig_smina_out.mol2", "protac_path": "543_protac.mol2", "smiles": "COC1=CC(N2CCN(CCOCCOCCNC(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2S(=O)(=O)C(C)C)=N1", "label": -1}, "841": {"pro_comp_id": 543, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_29_lig_smina_out.mol2", "protac_path": "543_protac.mol2", "smiles": "COC1=CC(N2CCN(CCOCCOCCNC(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2S(=O)(=O)C(C)C)=N1", "label": -1}, "842": {"pro_comp_id": 543, "tar_path": "FER_P16591.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FER_P16591_29_lig_smina_out.mol2", "protac_path": "543_protac.mol2", "smiles": "COC1=CC(N2CCN(CCOCCOCCNC(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2S(=O)(=O)C(C)C)=N1", "label": -1}, "843": {"pro_comp_id": 543, "tar_path": "RPS6KA1_Q15418.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "RPS6KA1_Q15418_29_lig_smina_out.mol2", "protac_path": "543_protac.mol2", "smiles": "COC1=CC(N2CCN(CCOCCOCCNC(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2S(=O)(=O)C(C)C)=N1", "label": -1}, "844": {"pro_comp_id": 543, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "543_protac.mol2", "smiles": "COC1=CC(N2CCN(CCOCCOCCNC(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2S(=O)(=O)C(C)C)=N1", "label": 1}, "845": {"pro_comp_id": 544, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AURKA_O14965_29_lig_smina_out.mol2", "protac_path": "544_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCOCCOCCNC(=O)CNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "846": {"pro_comp_id": 544, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_29_lig_smina_out.mol2", "protac_path": "544_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCOCCOCCNC(=O)CNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "847": {"pro_comp_id": 544, "tar_path": "FER_P16591.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FER_P16591_29_lig_smina_out.mol2", "protac_path": "544_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCOCCOCCNC(=O)CNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "848": {"pro_comp_id": 544, "tar_path": "RPS6KA1_Q15418.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "RPS6KA1_Q15418_29_lig_smina_out.mol2", "protac_path": "544_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCOCCOCCNC(=O)CNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "849": {"pro_comp_id": 544, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "544_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCOCCOCCNC(=O)CNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": 1}, "852": {"pro_comp_id": 545, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_68_lig_smina_out.mol2", "protac_path": "545_protac.mol2", "smiles": "CCOC1=CC(C(C)(C)C)=CC=C1C1=NC(C2=CC=C(Cl)C=C2)C(C2=CC=C(Cl)C=C2)N1C(=O)N1CCN(C(=O)CCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "853": {"pro_comp_id": 546, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_68_lig_smina_out.mol2", "protac_path": "546_protac.mol2", "smiles": "CCOC1=CC(C(C)(C)C)=CC=C1C1=NC(C2=CC=C(Cl)C=C2)C(C2=CC=C(Cl)C=C2)N1C(=O)N1CCN(C(=O)CCCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "854": {"pro_comp_id": 547, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_68_lig_smina_out.mol2", "protac_path": "547_protac.mol2", "smiles": "CCOC1=CC(C(C)(C)C)=CC=C1C1=NC(C2=CC=C(Cl)C=C2)C(C2=CC=C(Cl)C=C2)N1C(=O)N1CCN(C(=O)CCCCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "855": {"pro_comp_id": 548, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_68_lig_smina_out.mol2", "protac_path": "548_protac.mol2", "smiles": "CCOC1=CC(C(C)(C)C)=CC=C1C1=NC(C2=CC=C(Cl)C=C2)C(C2=CC=C(Cl)C=C2)N1C(=O)N1CCN(C(=O)CNC(=O)CCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "856": {"pro_comp_id": 549, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_68_lig_smina_out.mol2", "protac_path": "549_protac.mol2", "smiles": "CCOC1=CC(C(C)(C)C)=CC=C1C1=NC(C2=CC=C(Cl)C=C2)C(C2=CC=C(Cl)C=C2)N1C(=O)N1CCN(C(=O)CNC(=O)CCCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "857": {"pro_comp_id": 550, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_68_lig_smina_out.mol2", "protac_path": "550_protac.mol2", "smiles": "CCOC1=CC(C(C)(C)C)=CC=C1C1=NC(C2=CC=C(Cl)C=C2)C(C2=CC=C(Cl)C=C2)N1C(=O)N1CCN(C(=O)CNC(=O)CCCCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "858": {"pro_comp_id": 551, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_68_lig_smina_out.mol2", "protac_path": "551_protac.mol2", "smiles": "CCOC1=CC(C(C)(C)C)=CC=C1C1=NC(C2=CC=C(Cl)C=C2)C(C2=CC=C(Cl)C=C2)N1C(=O)N1CCN(CC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "859": {"pro_comp_id": 552, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_68_lig_smina_out.mol2", "protac_path": "552_protac.mol2", "smiles": "CCOC1=CC(C(C)(C)C)=CC=C1C1=NC(C2=CC=C(Cl)C=C2)C(C2=CC=C(Cl)C=C2)N1C(=O)N1CCN(CCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "860": {"pro_comp_id": 553, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_68_lig_smina_out.mol2", "protac_path": "553_protac.mol2", "smiles": "CCOC1=CC(C(C)(C)C)=CC=C1C1=NC(C2=CC=C(Cl)C=C2)C(C2=CC=C(Cl)C=C2)N1C(=O)N1CCN(CCCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "861": {"pro_comp_id": 554, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_68_lig_smina_out.mol2", "protac_path": "554_protac.mol2", "smiles": "CCOC1=CC(C(C)(C)C)=CC=C1C1=NC(C2=CC=C(Cl)C=C2)C(C2=CC=C(Cl)C=C2)N1C(=O)N1CCN(C2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "862": {"pro_comp_id": 555, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_68_lig_smina_out.mol2", "protac_path": "555_protac.mol2", "smiles": "CCOC1=CC(C(C)(C)C)=CC=C1C1=NC(C2=CC=C(Cl)C=C2)C(C2=CC=C(Cl)C=C2)N1C(=O)N1CCN(C(=O)CNC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "863": {"pro_comp_id": 556, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_68_lig_smina_out.mol2", "protac_path": "556_protac.mol2", "smiles": "CCOC1=CC(C(C)(C)C)=CC=C1C1=N[C@@H](C2=CC=C(Cl)C=C2)[C@@H](C2=CC=C(Cl)C=C2)N1C(=O)N1CCN(CC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)CC1", "label": 1}, "864": {"pro_comp_id": 557, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_68_lig_smina_out.mol2", "protac_path": "557_protac.mol2", "smiles": "CCOC1=CC(C(C)(C)C)=CC=C1C1=N[C@@H](C2=CC=C(Cl)C=C2)[C@@H](C2=CC=C(Cl)C=C2)N1C(=O)N1CCN(CCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "865": {"pro_comp_id": 558, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_68_lig_smina_out.mol2", "protac_path": "558_protac.mol2", "smiles": "CCOC1=CC(C(C)(C)C)=CC=C1C1=N[C@@H](C2=CC=C(Cl)C=C2)[C@@H](C2=CC=C(Cl)C=C2)N1C(=O)N1CCN(CCCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "866": {"pro_comp_id": 559, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "EGFR_P00533_69_lig_smina_out.mol2", "protac_path": "559_protac.mol2", "smiles": "O=C1CCC(N2CC3=C(NC(=O)CCCCCCCN4CCN(C5=CC=C(NC6=CC7=C(N8CCC(CO)CC8)N=C(NC8=CC=C(F)C=C8)N=C7C=N6)N=C5)CC4)C=CC=C3C2=O)C(=O)N1", "label": 1}, "867": {"pro_comp_id": 560, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "EGFR_P00533_69_lig_smina_out.mol2", "protac_path": "560_protac.mol2", "smiles": "O=C1CCC(N2CC3=C(NC(=O)CCCCCCN4CCN(C5=CC=C(NC6=CC7=C(N8CCC(CO)CC8)N=C(NC8=CC=C(F)C=C8)N=C7C=N6)N=C5)CC4)C=CC=C3C2=O)C(=O)N1", "label": -1}, "868": {"pro_comp_id": 561, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "EGFR_P00533_69_lig_smina_out.mol2", "protac_path": "561_protac.mol2", "smiles": "O=C1CCC(N2CC3=C(NC(=O)CCCCCN4CCN(C5=CC=C(NC6=CC7=C(N8CCC(CO)CC8)N=C(NC8=CC=C(F)C=C8)N=C7C=N6)N=C5)CC4)C=CC=C3C2=O)C(=O)N1", "label": -1}, "869": {"pro_comp_id": 562, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "EGFR_P00533_69_lig_smina_out.mol2", "protac_path": "562_protac.mol2", "smiles": "O=C1CCC(N2CC3=C(NC(=O)CCCCN4CCN(C5=CC=C(NC6=CC7=C(N8CCC(CO)CC8)N=C(NC8=CC=C(F)C=C8)N=C7C=N6)N=C5)CC4)C=CC=C3C2=O)C(=O)N1", "label": -1}, "870": {"pro_comp_id": 563, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "EGFR_P00533_69_lig_smina_out.mol2", "protac_path": "563_protac.mol2", "smiles": "O=C1CCC(N2CC3=C(NC(=O)CCCCCCCN4C=C(CN5CCN(C6=CC=C(NC7=CC8=C(N9CCC(CO)CC9)N=C(NC9=CC=C(F)C=C9)N=C8C=N7)N=C6)CC5)N=N4)C=CC=C3C2=O)C(=O)N1", "label": -1}, "871": {"pro_comp_id": 564, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "EGFR_P00533_69_lig_smina_out.mol2", "protac_path": "564_protac.mol2", "smiles": "O=C(CN1CCN(C2=CC=C(NC3=CC4=C(N5CCC(CO)CC5)N=C(NC5=CC=C(F)C=C5)N=C4C=N3)N=C2)CC1)NCCC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O", "label": -1}, "872": {"pro_comp_id": 565, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "EGFR_P00533_69_lig_smina_out.mol2", "protac_path": "565_protac.mol2", "smiles": "CN(C)C1CCN(C2=CC=C(NC3=CC4=C(N5CCN(CCCCCCCC(=O)NC6=CC=CC7=C6CN(C6CCC(=O)NC6=O)C7=O)CC5)N=C(NC5=CC=C(F)C=C5)N=C4C=N3)N=C2)CC1", "label": -1}, "873": {"pro_comp_id": 566, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "EGFR_P00533_69_lig_smina_out.mol2", "protac_path": "566_protac.mol2", "smiles": "CN(C)C1CCN(C2=CC=C(NC3=CC4=C(N5CCN(CC(=O)NCCC(=O)NC6=CC=CC7=C6CN(C6CCC(=O)NC6=O)C7=O)CC5)N=C(NC5=CC=C(F)C=C5)N=C4C=N3)N=C2)CC1", "label": -1}, "874": {"pro_comp_id": 567, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_69_lig_smina_out.mol2", "protac_path": "567_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCN3CCN(C4=CC=C(NC5=CC6=C(N7CCC(CO)CC7)N=C(NC7=CC=C(F)C=C7)N=C6C=N5)N=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "875": {"pro_comp_id": 568, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_69_lig_smina_out.mol2", "protac_path": "568_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCN3CCN(C4=CC=C(NC5=CC6=C(N7CCC(CO)CC7)N=C(NC7=CC=C(F)C=C7)N=C6C=N5)N=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "876": {"pro_comp_id": 569, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_69_lig_smina_out.mol2", "protac_path": "569_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCOCCN3CCN(C4=CC=C(NC5=CC6=C(N7CCC(CO)CC7)N=C(NC7=CC=C(F)C=C7)N=C6C=N5)N=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "877": {"pro_comp_id": 570, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_69_lig_smina_out.mol2", "protac_path": "570_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCN3CCN(C4=CC=C(NC5=CC6=C(N7CCC(CO)CC7)N=C(NC7=CC=C(F)C=C7)N=C6C=N5)N=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "878": {"pro_comp_id": 571, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_69_lig_smina_out.mol2", "protac_path": "571_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCN3C=C(CN4CCN(C5=CC=C(NC6=CC7=C(N8CCC(CO)CC8)N=C(NC8=CC=C(F)C=C8)N=C7C=N6)N=C5)CC4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "879": {"pro_comp_id": 572, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_P00533_70_lig_smina_out.mol2", "protac_path": "572_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCCCCCCC(=O)NC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4OC)N=C32)=C1", "label": 0}, "880": {"pro_comp_id": 572, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_P00533_70_lig_smina_out.mol2", "protac_path": "572_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCCCCCCC(=O)NC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4OC)N=C32)=C1", "label": 0}, "881": {"pro_comp_id": 573, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_38_lig_smina_out.mol2", "war_path": "EGFR_P00533_70_lig_smina_out.mol2", "protac_path": "573_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCCCCCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CC6=CC=CC=C6)CC5)C=C4OC)N=C32)=C1", "label": 0}, "882": {"pro_comp_id": 573, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_38_lig_smina_out.mol2", "war_path": "EGFR_P00533_70_lig_smina_out.mol2", "protac_path": "573_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCCCCCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CC6=CC=CC=C6)CC5)C=C4OC)N=C32)=C1", "label": 0}, "883": {"pro_comp_id": 574, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_10_lig_smina_out.mol2", "war_path": "EGFR_P00533_70_lig_smina_out.mol2", "protac_path": "574_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCCCCCCCNC(=O)C6=CC=C(NC(=O)[C@@H]7N[C@@H](CC(C)(C)C)[C@](C#N)(C8=CC=C(Cl)C=C8F)[C@H]7C7=CC=CC(Cl)=C7F)C(OC)=C6)CC5)C=C4OC)N=C32)=C1", "label": 0}, "884": {"pro_comp_id": 574, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_10_lig_smina_out.mol2", "war_path": "EGFR_P00533_70_lig_smina_out.mol2", "protac_path": "574_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCCCCCCCNC(=O)C6=CC=C(NC(=O)[C@@H]7N[C@@H](CC(C)(C)C)[C@](C#N)(C8=CC=C(Cl)C=C8F)[C@H]7C7=CC=CC(Cl)=C7F)C(OC)=C6)CC5)C=C4OC)N=C32)=C1", "label": 0}, "885": {"pro_comp_id": 575, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_10_lig_smina_out.mol2", "war_path": "EGFR_P00533_70_lig_smina_out.mol2", "protac_path": "575_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(CCCCCCCCCCCCNC(=O)C6=CC=C(NC(=O)[C@@H]7N[C@@H](CC(C)(C)C)[C@](C#N)(C8=CC=C(Cl)C=C8F)[C@H]7C7=CC=CC(Cl)=C7F)C(OC)=C6)CC5)C=C4OC)N=C32)=C1", "label": 0}, "886": {"pro_comp_id": 575, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_10_lig_smina_out.mol2", "war_path": "EGFR_P00533_70_lig_smina_out.mol2", "protac_path": "575_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(CCCCCCCCCCCCNC(=O)C6=CC=C(NC(=O)[C@@H]7N[C@@H](CC(C)(C)C)[C@](C#N)(C8=CC=C(Cl)C=C8F)[C@H]7C7=CC=CC(Cl)=C7F)C(OC)=C6)CC5)C=C4OC)N=C32)=C1", "label": 0}, "887": {"pro_comp_id": 576, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_70_lig_smina_out.mol2", "protac_path": "576_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4OC)N=C32)=C1", "label": 0}, "888": {"pro_comp_id": 576, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_70_lig_smina_out.mol2", "protac_path": "576_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4OC)N=C32)=C1", "label": 0}, "889": {"pro_comp_id": 577, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_70_lig_smina_out.mol2", "protac_path": "577_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(CCCCCCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4OC)N=C32)=C1", "label": 1}, "890": {"pro_comp_id": 577, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_70_lig_smina_out.mol2", "protac_path": "577_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(CCCCCCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4OC)N=C32)=C1", "label": 1}, "891": {"pro_comp_id": 578, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_10_lig_smina_out.mol2", "war_path": "EGFR_P00533_70_lig_smina_out.mol2", "protac_path": "578_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCCCCCNC(=O)C6=CC=C(NC(=O)[C@@H]7N[C@@H](CC(C)(C)C)[C@](C#N)(C8=CC=C(Cl)C=C8F)[C@H]7C7=CC=CC(Cl)=C7F)C(OC)=C6)CC5)C=C4OC)N=C32)=C1", "label": 1}, "892": {"pro_comp_id": 578, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_10_lig_smina_out.mol2", "war_path": "EGFR_P00533_70_lig_smina_out.mol2", "protac_path": "578_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCCCCCNC(=O)C6=CC=C(NC(=O)[C@@H]7N[C@@H](CC(C)(C)C)[C@](C#N)(C8=CC=C(Cl)C=C8F)[C@H]7C7=CC=CC(Cl)=C7F)C(OC)=C6)CC5)C=C4OC)N=C32)=C1", "label": 0}, "893": {"pro_comp_id": 579, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_10_lig_smina_out.mol2", "war_path": "EGFR_P00533_70_lig_smina_out.mol2", "protac_path": "579_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCCCNC(=O)C6=CC=C(NC(=O)[C@@H]7N[C@@H](CC(C)(C)C)[C@](C#N)(C8=CC=C(Cl)C=C8F)[C@H]7C7=CC=CC(Cl)=C7F)C(OC)=C6)CC5)C=C4OC)N=C32)=C1", "label": 0}, "894": {"pro_comp_id": 579, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_10_lig_smina_out.mol2", "war_path": "EGFR_P00533_70_lig_smina_out.mol2", "protac_path": "579_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCCCNC(=O)C6=CC=C(NC(=O)[C@@H]7N[C@@H](CC(C)(C)C)[C@](C#N)(C8=CC=C(Cl)C=C8F)[C@H]7C7=CC=CC(Cl)=C7F)C(OC)=C6)CC5)C=C4OC)N=C32)=C1", "label": 0}, "895": {"pro_comp_id": 580, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_10_lig_smina_out.mol2", "war_path": "EGFR_P00533_70_lig_smina_out.mol2", "protac_path": "580_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCNC(=O)C6=CC=C(NC(=O)[C@@H]7N[C@@H](CC(C)(C)C)[C@](C#N)(C8=CC=C(Cl)C=C8F)[C@H]7C7=CC=CC(Cl)=C7F)C(OC)=C6)CC5)C=C4OC)N=C32)=C1", "label": 0}, "896": {"pro_comp_id": 580, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_10_lig_smina_out.mol2", "war_path": "EGFR_P00533_70_lig_smina_out.mol2", "protac_path": "580_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCNC(=O)C6=CC=C(NC(=O)[C@@H]7N[C@@H](CC(C)(C)C)[C@](C#N)(C8=CC=C(Cl)C=C8F)[C@H]7C7=CC=CC(Cl)=C7F)C(OC)=C6)CC5)C=C4OC)N=C32)=C1", "label": 0}, "897": {"pro_comp_id": 581, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_70_lig_smina_out.mol2", "protac_path": "581_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4OC)N=C32)=C1", "label": 1}, "898": {"pro_comp_id": 581, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_70_lig_smina_out.mol2", "protac_path": "581_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4OC)N=C32)=C1", "label": 0}, "899": {"pro_comp_id": 582, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_70_lig_smina_out.mol2", "protac_path": "582_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4OC)N=C32)=C1", "label": 0}, "900": {"pro_comp_id": 582, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_70_lig_smina_out.mol2", "protac_path": "582_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4OC)N=C32)=C1", "label": 0}, "901": {"pro_comp_id": 583, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_70_lig_smina_out.mol2", "protac_path": "583_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4OC)N=C32)=C1", "label": 0}, "902": {"pro_comp_id": 583, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_70_lig_smina_out.mol2", "protac_path": "583_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4OC)N=C32)=C1", "label": 0}, "903": {"pro_comp_id": 584, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_70_lig_smina_out.mol2", "protac_path": "584_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(CCCCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4OC)N=C32)=C1", "label": 0}, "904": {"pro_comp_id": 584, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_70_lig_smina_out.mol2", "protac_path": "584_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(CCCCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4OC)N=C32)=C1", "label": 0}, "905": {"pro_comp_id": 585, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_70_lig_smina_out.mol2", "protac_path": "585_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(CCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4OC)N=C32)=C1", "label": 0}, "906": {"pro_comp_id": 585, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_70_lig_smina_out.mol2", "protac_path": "585_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(CCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4OC)N=C32)=C1", "label": 0}, "907": {"pro_comp_id": 586, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_70_lig_smina_out.mol2", "protac_path": "586_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(CCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4OC)N=C32)=C1", "label": 1}, "908": {"pro_comp_id": 586, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_70_lig_smina_out.mol2", "protac_path": "586_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(CCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4OC)N=C32)=C1", "label": 0}, "909": {"pro_comp_id": 587, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_70_lig_smina_out.mol2", "protac_path": "587_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(CCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4OC)N=C32)=C1", "label": 0}, "910": {"pro_comp_id": 587, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_70_lig_smina_out.mol2", "protac_path": "587_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(CCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4OC)N=C32)=C1", "label": 0}, "911": {"pro_comp_id": 588, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "588_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCOCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": -1}, "912": {"pro_comp_id": 588, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "588_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCOCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": -1}, "913": {"pro_comp_id": 589, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "589_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCOCCOCCOCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": -1}, "914": {"pro_comp_id": 589, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "589_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCOCCOCCOCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": -1}, "915": {"pro_comp_id": 590, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "590_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCOCCOCCOCCOCCOCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": -1}, "916": {"pro_comp_id": 590, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "590_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCOCCOCCOCCOCCOCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": -1}, "917": {"pro_comp_id": 591, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "591_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": -1}, "918": {"pro_comp_id": 591, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "591_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": -1}, "919": {"pro_comp_id": 592, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "592_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": -1}, "920": {"pro_comp_id": 592, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "592_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": -1}, "921": {"pro_comp_id": 593, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "593_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": 1}, "922": {"pro_comp_id": 593, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "593_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": 1}, "923": {"pro_comp_id": 594, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "594_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(CCC(=O)NCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "924": {"pro_comp_id": 594, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "594_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(CCC(=O)NCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "925": {"pro_comp_id": 595, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "595_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(CCC(=O)NCCOCCOCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "926": {"pro_comp_id": 595, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "595_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(CCC(=O)NCCOCCOCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "927": {"pro_comp_id": 596, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "596_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(CCC(=O)NCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "928": {"pro_comp_id": 596, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "596_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(CCC(=O)NCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "929": {"pro_comp_id": 597, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "597_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(CCC(=O)NCCCCCCCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": 1}, "930": {"pro_comp_id": 597, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "597_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(CCC(=O)NCCCCCCCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": 1}, "931": {"pro_comp_id": 598, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK2_P24941_71_lig_smina_out.mol2", "protac_path": "598_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCC(=O)N1CCC(NC(=O)C2=C(NC(=O)C3=C(Cl)C=CC=C3Cl)C=N[NH]2)CC1", "label": 0}, "932": {"pro_comp_id": 598, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_71_lig_smina_out.mol2", "protac_path": "598_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCC(=O)N1CCC(NC(=O)C2=C(NC(=O)C3=C(Cl)C=CC=C3Cl)C=N[NH]2)CC1", "label": 0}, "933": {"pro_comp_id": 599, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK2_P24941_71_lig_smina_out.mol2", "protac_path": "599_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCC(=O)N1CCC(NC(=O)C2=C(NC(=O)C3=C(Cl)C=CC=C3Cl)C=N[NH]2)CC1", "label": -1}, "934": {"pro_comp_id": 599, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_71_lig_smina_out.mol2", "protac_path": "599_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCC(=O)N1CCC(NC(=O)C2=C(NC(=O)C3=C(Cl)C=CC=C3Cl)C=N[NH]2)CC1", "label": -1}, "935": {"pro_comp_id": 600, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK2_P24941_71_lig_smina_out.mol2", "protac_path": "600_protac.mol2", "smiles": "O=C(CCC(=O)N1CCC(NC(=O)C2=C(NC(=O)C3=C(Cl)C=CC=C3Cl)C=N[NH]2)CC1)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 0}, "936": {"pro_comp_id": 600, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK9_P50750_71_lig_smina_out.mol2", "protac_path": "600_protac.mol2", "smiles": "O=C(CCC(=O)N1CCC(NC(=O)C2=C(NC(=O)C3=C(Cl)C=CC=C3Cl)C=N[NH]2)CC1)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 0}, "937": {"pro_comp_id": 601, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK2_P24941_71_lig_smina_out.mol2", "protac_path": "601_protac.mol2", "smiles": "O=C(CCC(=O)N1CCC(NC(=O)C2=C(NC(=O)C3=C(Cl)C=CC=C3Cl)C=N[NH]2)CC1)NCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 0}, "938": {"pro_comp_id": 601, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK9_P50750_71_lig_smina_out.mol2", "protac_path": "601_protac.mol2", "smiles": "O=C(CCC(=O)N1CCC(NC(=O)C2=C(NC(=O)C3=C(Cl)C=CC=C3Cl)C=N[NH]2)CC1)NCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 0}, "939": {"pro_comp_id": 602, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK2_P24941_71_lig_smina_out.mol2", "protac_path": "602_protac.mol2", "smiles": "O=C(CCC(=O)N1CCC(NC(=O)C2=C(NC(=O)C3=C(Cl)C=CC=C3Cl)C=N[NH]2)CC1)NCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 0}, "940": {"pro_comp_id": 602, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK9_P50750_71_lig_smina_out.mol2", "protac_path": "602_protac.mol2", "smiles": "O=C(CCC(=O)N1CCC(NC(=O)C2=C(NC(=O)C3=C(Cl)C=CC=C3Cl)C=N[NH]2)CC1)NCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 0}, "941": {"pro_comp_id": 603, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK2_P24941_71_lig_smina_out.mol2", "protac_path": "603_protac.mol2", "smiles": "O=C(CCC(=O)N1CCC(NC(=O)C2=C(NC(=O)C3=C(Cl)C=CC=C3Cl)C=N[NH]2)CC1)NCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 0}, "942": {"pro_comp_id": 603, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_71_lig_smina_out.mol2", "protac_path": "603_protac.mol2", "smiles": "O=C(CCC(=O)N1CCC(NC(=O)C2=C(NC(=O)C3=C(Cl)C=CC=C3Cl)C=N[NH]2)CC1)NCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 0}, "943": {"pro_comp_id": 604, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK2_P24941_71_lig_smina_out.mol2", "protac_path": "604_protac.mol2", "smiles": "O=C(CCC(=O)N1CCC(NC(=O)C2=C(NC(=O)C3=C(Cl)C=CC=C3Cl)C=N[NH]2)CC1)NCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 0}, "944": {"pro_comp_id": 604, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_71_lig_smina_out.mol2", "protac_path": "604_protac.mol2", "smiles": "O=C(CCC(=O)N1CCC(NC(=O)C2=C(NC(=O)C3=C(Cl)C=CC=C3Cl)C=N[NH]2)CC1)NCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 0}, "945": {"pro_comp_id": 605, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK2_P24941_71_lig_smina_out.mol2", "protac_path": "605_protac.mol2", "smiles": "O=C(CCC(=O)N1CCC(NC(=O)C2=C(NC(=O)C3=C(Cl)C=CC=C3Cl)C=N[NH]2)CC1)NCCCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 0}, "946": {"pro_comp_id": 605, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_71_lig_smina_out.mol2", "protac_path": "605_protac.mol2", "smiles": "O=C(CCC(=O)N1CCC(NC(=O)C2=C(NC(=O)C3=C(Cl)C=CC=C3Cl)C=N[NH]2)CC1)NCCCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 0}, "947": {"pro_comp_id": 606, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK2_P24941_71_lig_smina_out.mol2", "protac_path": "606_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOCCOCC(=O)N1CCC(NC(=O)C2=C(NC(=O)C3=C(Cl)C=CC=C3Cl)C=N[NH]2)CC1", "label": -1}, "948": {"pro_comp_id": 606, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_71_lig_smina_out.mol2", "protac_path": "606_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOCCOCC(=O)N1CCC(NC(=O)C2=C(NC(=O)C3=C(Cl)C=CC=C3Cl)C=N[NH]2)CC1", "label": 0}, "949": {"pro_comp_id": 607, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK2_P24941_71_lig_smina_out.mol2", "protac_path": "607_protac.mol2", "smiles": "O=C(CCC(=O)N1CCC(NC(=O)C2=C(NC(=O)C3=C(Cl)C=CC=C3Cl)C=N[NH]2)CC1)NCCCOCCOCCOCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 0}, "950": {"pro_comp_id": 607, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_71_lig_smina_out.mol2", "protac_path": "607_protac.mol2", "smiles": "O=C(CCC(=O)N1CCC(NC(=O)C2=C(NC(=O)C3=C(Cl)C=CC=C3Cl)C=N[NH]2)CC1)NCCCOCCOCCOCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 0}, "951": {"pro_comp_id": 608, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK2_P24941_72_lig_smina_out.mol2", "protac_path": "608_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCC(=O)N1CCN(CC2=CC=C(NC(=O)C3=C(NC4=NC=NC5=C4C=C[NH]5)C=N[NH]3)C=C2)CC1", "label": -1}, "952": {"pro_comp_id": 608, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_72_lig_smina_out.mol2", "protac_path": "608_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCC(=O)N1CCN(CC2=CC=C(NC(=O)C3=C(NC4=NC=NC5=C4C=C[NH]5)C=N[NH]3)C=C2)CC1", "label": -1}, "953": {"pro_comp_id": 609, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK2_P24941_72_lig_smina_out.mol2", "protac_path": "609_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCC(=O)N1CCN(CC2=CC=C(NC(=O)C3=C(NC4=NC=NC5=C4C=C[NH]5)C=N[NH]3)C=C2)CC1", "label": -1}, "954": {"pro_comp_id": 609, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_72_lig_smina_out.mol2", "protac_path": "609_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCC(=O)N1CCN(CC2=CC=C(NC(=O)C3=C(NC4=NC=NC5=C4C=C[NH]5)C=N[NH]3)C=C2)CC1", "label": -1}, "955": {"pro_comp_id": 610, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK2_P24941_72_lig_smina_out.mol2", "protac_path": "610_protac.mol2", "smiles": "O=C(CCC(=O)N1CCN(CC2=CC=C(NC(=O)C3=C(NC4=NC=NC5=C4C=C[NH]5)C=N[NH]3)C=C2)CC1)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 1}, "956": {"pro_comp_id": 610, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK9_P50750_72_lig_smina_out.mol2", "protac_path": "610_protac.mol2", "smiles": "O=C(CCC(=O)N1CCN(CC2=CC=C(NC(=O)C3=C(NC4=NC=NC5=C4C=C[NH]5)C=N[NH]3)C=C2)CC1)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 1}, "957": {"pro_comp_id": 611, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK2_P24941_72_lig_smina_out.mol2", "protac_path": "611_protac.mol2", "smiles": "O=C(CCC(=O)N1CCN(CC2=CC=C(NC(=O)C3=C(NC4=NC=NC5=C4C=C[NH]5)C=N[NH]3)C=C2)CC1)NCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "958": {"pro_comp_id": 611, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK9_P50750_72_lig_smina_out.mol2", "protac_path": "611_protac.mol2", "smiles": "O=C(CCC(=O)N1CCN(CC2=CC=C(NC(=O)C3=C(NC4=NC=NC5=C4C=C[NH]5)C=N[NH]3)C=C2)CC1)NCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "959": {"pro_comp_id": 612, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK2_P24941_72_lig_smina_out.mol2", "protac_path": "612_protac.mol2", "smiles": "O=C(CCC(=O)N1CCN(CC2=CC=C(NC(=O)C3=C(NC4=NC=NC5=C4C=C[NH]5)C=N[NH]3)C=C2)CC1)NCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 0}, "960": {"pro_comp_id": 612, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK9_P50750_72_lig_smina_out.mol2", "protac_path": "612_protac.mol2", "smiles": "O=C(CCC(=O)N1CCN(CC2=CC=C(NC(=O)C3=C(NC4=NC=NC5=C4C=C[NH]5)C=N[NH]3)C=C2)CC1)NCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "961": {"pro_comp_id": 613, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK2_P24941_72_lig_smina_out.mol2", "protac_path": "613_protac.mol2", "smiles": "O=C(CCC(=O)N1CCN(CC2=CC=C(NC(=O)C3=C(NC4=NC=NC5=C4C=C[NH]5)C=N[NH]3)C=C2)CC1)NCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 0}, "962": {"pro_comp_id": 613, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_72_lig_smina_out.mol2", "protac_path": "613_protac.mol2", "smiles": "O=C(CCC(=O)N1CCN(CC2=CC=C(NC(=O)C3=C(NC4=NC=NC5=C4C=C[NH]5)C=N[NH]3)C=C2)CC1)NCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "963": {"pro_comp_id": 614, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK2_P24941_72_lig_smina_out.mol2", "protac_path": "614_protac.mol2", "smiles": "O=C(CCC(=O)N1CCN(CC2=CC=C(NC(=O)C3=C(NC4=NC=NC5=C4C=C[NH]5)C=N[NH]3)C=C2)CC1)NCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 0}, "964": {"pro_comp_id": 614, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_72_lig_smina_out.mol2", "protac_path": "614_protac.mol2", "smiles": "O=C(CCC(=O)N1CCN(CC2=CC=C(NC(=O)C3=C(NC4=NC=NC5=C4C=C[NH]5)C=N[NH]3)C=C2)CC1)NCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 0}, "965": {"pro_comp_id": 615, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK2_P24941_72_lig_smina_out.mol2", "protac_path": "615_protac.mol2", "smiles": "O=C(CCC(=O)N1CCN(CC2=CC=C(NC(=O)C3=C(NC4=NC=NC5=C4C=C[NH]5)C=N[NH]3)C=C2)CC1)NCCCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 0}, "966": {"pro_comp_id": 615, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_72_lig_smina_out.mol2", "protac_path": "615_protac.mol2", "smiles": "O=C(CCC(=O)N1CCN(CC2=CC=C(NC(=O)C3=C(NC4=NC=NC5=C4C=C[NH]5)C=N[NH]3)C=C2)CC1)NCCCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 0}, "967": {"pro_comp_id": 616, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK2_P24941_72_lig_smina_out.mol2", "protac_path": "616_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOCCOCC(=O)N1CCN(CC2=CC=C(NC(=O)C3=C(NC4=NC=NC5=C4C=C[NH]5)C=N[NH]3)C=C2)CC1", "label": 0}, "968": {"pro_comp_id": 616, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_72_lig_smina_out.mol2", "protac_path": "616_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOCCOCC(=O)N1CCN(CC2=CC=C(NC(=O)C3=C(NC4=NC=NC5=C4C=C[NH]5)C=N[NH]3)C=C2)CC1", "label": -1}, "969": {"pro_comp_id": 617, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK2_P24941_72_lig_smina_out.mol2", "protac_path": "617_protac.mol2", "smiles": "O=C(CCC(=O)N1CCN(CC2=CC=C(NC(=O)C3=C(NC4=NC=NC5=C4C=C[NH]5)C=N[NH]3)C=C2)CC1)NCCCOCCOCCOCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 0}, "970": {"pro_comp_id": 617, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_72_lig_smina_out.mol2", "protac_path": "617_protac.mol2", "smiles": "O=C(CCC(=O)N1CCN(CC2=CC=C(NC(=O)C3=C(NC4=NC=NC5=C4C=C[NH]5)C=N[NH]3)C=C2)CC1)NCCCOCCOCCOCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 0}, "971": {"pro_comp_id": 618, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "618_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CC(=O)N3CCN(CC[C@H](CSC4=CC=CC=C4)NC4=CC=C(S(=O)(=O)NC(=O)C5=CC=C(N6CCN(CC7=C(C8=CC=C(Cl)C=C8)CCC(C)(C)C7)CC6)C=C5)C=C4S(=O)(=O)C(F)(F)F)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "972": {"pro_comp_id": 619, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "619_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCC(=O)N3CCN(CC[C@H](CSC4=CC=CC=C4)NC4=CC=C(S(=O)(=O)NC(=O)C5=CC=C(N6CCN(CC7=C(C8=CC=C(Cl)C=C8)CCC(C)(C)C7)CC6)C=C5)C=C4S(=O)(=O)C(F)(F)F)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "973": {"pro_comp_id": 620, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "620_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCC(=O)N3CCN(CC[C@H](CSC4=CC=CC=C4)NC4=CC=C(S(=O)(=O)NC(=O)C5=CC=C(N6CCN(CC7=C(C8=CC=C(Cl)C=C8)CCC(C)(C)C7)CC6)C=C5)C=C4S(=O)(=O)C(F)(F)F)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "974": {"pro_comp_id": 621, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "621_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCC(=O)N3CCN(CC[C@H](CSC4=CC=CC=C4)NC4=CC=C(S(=O)(=O)NC(=O)C5=CC=C(N6CCN(CC7=C(C8=CC=C(Cl)C=C8)CCC(C)(C)C7)CC6)C=C5)C=C4S(=O)(=O)C(F)(F)F)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "975": {"pro_comp_id": 622, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "622_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCC(=O)N3CCN(CC[C@H](CSC4=CC=CC=C4)NC4=CC=C(S(=O)(=O)NC(=O)C5=CC=C(N6CCN(CC7=C(C8=CC=C(Cl)C=C8)CCC(C)(C)C7)CC6)C=C5)C=C4S(=O)(=O)C(F)(F)F)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "976": {"pro_comp_id": 623, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "623_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCN3CCN(CC[C@H](CSC4=CC=CC=C4)NC4=CC=C(S(=O)(=O)NC(=O)C5=CC=C(N6CCN(CC7=C(C8=CC=C(Cl)C=C8)CCC(C)(C)C7)CC6)C=C5)C=C4S(=O)(=O)C(F)(F)F)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "977": {"pro_comp_id": 624, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "624_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3CCN(CC[C@H](CSC4=CC=CC=C4)NC4=CC=C(S(=O)(=O)NC(=O)C5=CC=C(N6CCN(CC7=C(C8=CC=C(Cl)C=C8)CCC(C)(C)C7)CC6)C=C5)C=C4S(=O)(=O)C(F)(F)F)CC3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "978": {"pro_comp_id": 625, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "625_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCN3CCN(CC[C@H](CSC4=CC=CC=C4)NC4=CC=C(S(=O)(=O)NC(=O)C5=CC=C(N6CCN(CC7=C(C8=CC=C(Cl)C=C8)CCC(C)(C)C7)CC6)C=C5)C=C4S(=O)(=O)C(F)(F)F)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "979": {"pro_comp_id": 626, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "626_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCN3CCN(CC[C@H](CSC4=CC=CC=C4)NC4=CC=C(S(=O)(=O)NC(=O)C5=CC=C(N6CCN(CC7=C(C8=CC=C(Cl)C=C8)CCC(C)(C)C7)CC6)C=C5)C=C4S(=O)(=O)C(F)(F)F)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "980": {"pro_comp_id": 627, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "627_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCC(=O)N3CCN(CC[C@H](CSC4=CC=CC=C4)NC4=CC=C(S(=O)(=O)NC(=O)C5=CC=C(N6CCN(CC7=C(C8=CC=C(Cl)C=C8)CCC(C)(C)C7)CC6)C=C5)C=C4S(=O)(=O)C(F)(F)F)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "981": {"pro_comp_id": 628, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "628_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCC(=O)N3CCN(CC[C@H](CSC4=CC=CC=C4)NC4=CC=C(S(=O)(=O)NC(=O)C5=CC=C(N6CCN(CC7=C(C8=CC=C(Cl)C=C8)CCC(C)(C)C7)CC6)C=C5)C=C4S(=O)(=O)C(F)(F)F)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "982": {"pro_comp_id": 629, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "629_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCC(=O)N3CCN(CC[C@H](CSC4=CC=CC=C4)NC4=CC=C(S(=O)(=O)NC(=O)C5=CC=C(N6CCN(CC7=C(C8=CC=C(Cl)C=C8)CCC(C)(C)C7)CC6)C=C5)C=C4S(=O)(=O)C(F)(F)F)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "983": {"pro_comp_id": 630, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "630_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCN3CCN(CC[C@H](CSC4=CC=CC=C4)NC4=CC=C(S(=O)(=O)NC(=O)C5=CC=C(N6CCN(CC7=C(C8=CC=C(Cl)C=C8)CCC(C)(C)C7)CC6)C=C5)C=C4S(=O)(=O)C(F)(F)F)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "984": {"pro_comp_id": 631, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "631_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCN3CCN(CC[C@H](CSC4=CC=CC=C4)NC4=CC=C(S(=O)(=O)NC(=O)C5=CC=C(N6CCN(CC7=C(C8=CC=C(Cl)C=C8)CCC(C)(C)C7)CC6)C=C5)C=C4S(=O)(=O)C(F)(F)F)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "985": {"pro_comp_id": 632, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "632_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCC(=O)N(C)CC[C@H](CSC3=CC=CC=C3)NC3=CC=C(S(=O)(=O)NC(=O)C4=CC=C(N5CCN(CC6=C(C7=CC=C(Cl)C=C7)CCC(C)(C)C6)CC5)C=C4)C=C3S(=O)(=O)C(F)(F)F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "986": {"pro_comp_id": 633, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "633_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCN(C)CC[C@H](CSC3=CC=CC=C3)NC3=CC=C(S(=O)(=O)NC(=O)C4=CC=C(N5CCN(CC6=C(C7=CC=C(Cl)C=C7)CCC(C)(C)C6)CC5)C=C4)C=C3S(=O)(=O)C(F)(F)F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "987": {"pro_comp_id": 634, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "634_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN(C)CC[C@H](CSC3=CC=CC=C3)NC3=CC=C(S(=O)(=O)NC(=O)C4=CC=C(N5CCN(CC6=C(C7=CC=C(Cl)C=C7)CCC(C)(C)C6)CC5)C=C4)C=C3S(=O)(=O)C(F)(F)F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "988": {"pro_comp_id": 635, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "635_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCN(C)CC[C@H](CSC3=CC=CC=C3)NC3=CC=C(S(=O)(=O)NC(=O)C4=CC=C(N5CCN(CC6=C(C7=CC=C(Cl)C=C7)CCC(C)(C)C6)CC5)C=C4)C=C3S(=O)(=O)C(F)(F)F)C(C)(C)C)C=C2)SC=N1", "label": 1}, "989": {"pro_comp_id": 636, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "636_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCN(C)CC[C@H](CSC3=CC=CC=C3)NC3=CC=C(S(=O)(=O)NC(=O)C4=CC=C(N5CCN(CC6=C(C7=CC=C(Cl)C=C7)CCC(C)(C)C6)CC5)C=C4)C=C3S(=O)(=O)C(F)(F)F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "990": {"pro_comp_id": 637, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "637_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCN(C)CC[C@H](CSC3=CC=CC=C3)NC3=CC=C(S(=O)(=O)NC(=O)C4=CC=C(N5CCN(CC6=C(C7=CC=C(Cl)C=C7)CCC(C)(C)C6)CC5)C=C4)C=C3S(=O)(=O)C(F)(F)F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "991": {"pro_comp_id": 638, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "638_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCN(C)CC[C@H](CSC3=CC=CC=C3)NC3=CC=C(S(=O)(=O)NC(=O)C4=CC=C(N5CCN(CC6=C(C7=CC=C(Cl)C=C7)CCC(C)(C)C6)CC5)C=C4)C=C3S(=O)(=O)C(F)(F)F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "992": {"pro_comp_id": 639, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "639_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCN(C)CC[C@H](CSC3=CC=CC=C3)NC3=CC=C(S(=O)(=O)NC(=O)C4=CC=C(N5CCN(CC6=C(C7=CC=C(Cl)C=C7)CCC(C)(C)C6)CC5)C=C4)C=C3S(=O)(=O)C(F)(F)F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "993": {"pro_comp_id": 640, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "640_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCN(C)CC[C@H](CSC3=CC=CC=C3)NC3=CC=C(S(=O)(=O)NC(=O)C4=CC=C(N5CCN(CC6=C(C7=CC=C(Cl)C=C7)CCC(C)(C)C6)CC5)C=C4)C=C3S(=O)(=O)C(F)(F)F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "994": {"pro_comp_id": 641, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "641_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCN(C)CC[C@H](CSC3=CC=CC=C3)NC3=CC=C(S(=O)(=O)NC(=O)C4=CC=C(N5CCN(CC6=C(C7=CC=C(Cl)C=C7)CCC(C)(C)C6)CC5)C=C4)C=C3S(=O)(=O)C(F)(F)F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "995": {"pro_comp_id": 642, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "642_protac.mol2", "smiles": "CC1(C)CCC(C2=CC=C(Cl)C=C2)=C(CN2CCN(C3=CC=C(C(=O)NS(=O)(=O)C4=CC=C(N[C@H](CCN5CCN(C(=O)CCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CSC5=CC=CC=C5)C(S(=O)(=O)C(F)(F)F)=C4)C=C3)CC2)C1", "label": -1}, "996": {"pro_comp_id": 643, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "643_protac.mol2", "smiles": "CC1(C)CCC(C2=CC=C(Cl)C=C2)=C(CN2CCN(C3=CC=C(C(=O)NS(=O)(=O)C4=CC=C(N[C@H](CCN5CCN(C(=O)CCCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CSC5=CC=CC=C5)C(S(=O)(=O)C(F)(F)F)=C4)C=C3)CC2)C1", "label": -1}, "997": {"pro_comp_id": 644, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "644_protac.mol2", "smiles": "CC1(C)CCC(C2=CC=C(Cl)C=C2)=C(CN2CCN(C3=CC=C(C(=O)NS(=O)(=O)C4=CC=C(N[C@H](CCN5CCN(C(=O)CCCCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CSC5=CC=CC=C5)C(S(=O)(=O)C(F)(F)F)=C4)C=C3)CC2)C1", "label": -1}, "998": {"pro_comp_id": 645, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "645_protac.mol2", "smiles": "CC1(C)CCC(C2=CC=C(Cl)C=C2)=C(CN2CCN(C3=CC=C(C(=O)NS(=O)(=O)C4=CC=C(N[C@H](CCN5CCN(C(=O)CCCCCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CSC5=CC=CC=C5)C(S(=O)(=O)C(F)(F)F)=C4)C=C3)CC2)C1", "label": -1}, "999": {"pro_comp_id": 646, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "646_protac.mol2", "smiles": "CC1(C)CCC(C2=CC=C(Cl)C=C2)=C(CN2CCN(C3=CC=C(C(=O)NS(=O)(=O)C4=CC=C(N[C@H](CCN5CCN(C(=O)CCCCCCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CSC5=CC=CC=C5)C(S(=O)(=O)C(F)(F)F)=C4)C=C3)CC2)C1", "label": -1}, "1000": {"pro_comp_id": 647, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "647_protac.mol2", "smiles": "CC1(C)CCC(C2=CC=C(Cl)C=C2)=C(CN2CCN(C3=CC=C(C(=O)NS(=O)(=O)C4=CC=C(N[C@H](CCN5CCN(CCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CSC5=CC=CC=C5)C(S(=O)(=O)C(F)(F)F)=C4)C=C3)CC2)C1", "label": -1}, "1001": {"pro_comp_id": 648, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "648_protac.mol2", "smiles": "CC1(C)CCC(C2=CC=C(Cl)C=C2)=C(CN2CCN(C3=CC=C(C(=O)NS(=O)(=O)C4=CC=C(N[C@H](CCN5CCN(CCCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CSC5=CC=CC=C5)C(S(=O)(=O)C(F)(F)F)=C4)C=C3)CC2)C1", "label": -1}, "1002": {"pro_comp_id": 649, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "649_protac.mol2", "smiles": "CC1(C)CCC(C2=CC=C(Cl)C=C2)=C(CN2CCN(C3=CC=C(C(=O)NS(=O)(=O)C4=CC=C(N[C@H](CCN5CCN(CCCCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CSC5=CC=CC=C5)C(S(=O)(=O)C(F)(F)F)=C4)C=C3)CC2)C1", "label": -1}, "1003": {"pro_comp_id": 650, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "650_protac.mol2", "smiles": "CC1(C)CCC(C2=CC=C(Cl)C=C2)=C(CN2CCN(C3=CC=C(C(=O)NS(=O)(=O)C4=CC=C(N[C@H](CCN5CCN(C(=O)COCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CSC5=CC=CC=C5)C(S(=O)(=O)C(F)(F)F)=C4)C=C3)CC2)C1", "label": -1}, "1004": {"pro_comp_id": 651, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "651_protac.mol2", "smiles": "CC1(C)CCC(C2=CC=C(Cl)C=C2)=C(CN2CCN(C3=CC=C(C(=O)NS(=O)(=O)C4=CC=C(N[C@H](CCN5CCN(C(=O)COCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CSC5=CC=CC=C5)C(S(=O)(=O)C(F)(F)F)=C4)C=C3)CC2)C1", "label": -1}, "1005": {"pro_comp_id": 652, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "652_protac.mol2", "smiles": "CC1(C)CCC(C2=CC=C(Cl)C=C2)=C(CN2CCN(C3=CC=C(C(=O)NS(=O)(=O)C4=CC=C(N[C@H](CCN5CCN(C(=O)COCCOCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CSC5=CC=CC=C5)C(S(=O)(=O)C(F)(F)F)=C4)C=C3)CC2)C1", "label": -1}, "1006": {"pro_comp_id": 653, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "653_protac.mol2", "smiles": "CC1(C)CCC(C2=CC=C(Cl)C=C2)=C(CN2CCN(C3=CC=C(C(=O)NS(=O)(=O)C4=CC=C(N[C@H](CCN5CCN(C(=O)NCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CSC5=CC=CC=C5)C(S(=O)(=O)C(F)(F)F)=C4)C=C3)CC2)C1", "label": -1}, "1007": {"pro_comp_id": 654, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "654_protac.mol2", "smiles": "CC1(C)CCC(C2=CC=C(Cl)C=C2)=C(CN2CCN(C3=CC=C(C(=O)NS(=O)(=O)C4=CC=C(N[C@H](CCN5CCN(C(=S)NCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CSC5=CC=CC=C5)C(S(=O)(=O)C(F)(F)F)=C4)C=C3)CC2)C1", "label": -1}, "1008": {"pro_comp_id": 655, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "655_protac.mol2", "smiles": "CC1(C)CCC(C2=CC=C(Cl)C=C2)=C(CN2CCN(C3=CC=C(C(=O)NS(=O)(=O)C4=CC=C(N[C@H](CCN5CCN(CCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CSC5=CC=CC=C5)C(S(=O)(=O)C(F)(F)F)=C4)C=C3)CC2)C1", "label": -1}, "1009": {"pro_comp_id": 656, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "656_protac.mol2", "smiles": "CC1(C)CCC(C2=CC=C(Cl)C=C2)=C(CN2CCN(C3=CC=C(C(=O)NS(=O)(=O)C4=CC=C(N[C@H](CCN5CCN(CCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CSC5=CC=CC=C5)C(S(=O)(=O)C(F)(F)F)=C4)C=C3)CC2)C1", "label": -1}, "1010": {"pro_comp_id": 657, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "657_protac.mol2", "smiles": "CC1(C)CCC(C2=CC=C(Cl)C=C2)=C(CN2CCN(C3=CC=C(C(=O)NS(=O)(=O)C4=CC=C(N[C@H](CCN5CCN(CCOCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CSC5=CC=CC=C5)C(S(=O)(=O)C(F)(F)F)=C4)C=C3)CC2)C1", "label": 1}, "1011": {"pro_comp_id": 658, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "658_protac.mol2", "smiles": "CN(CC[C@H](CSC1=CC=CC=C1)NC1=CC=C(S(=O)(=O)NC(=O)C2=CC=C(N3CCN(CC4=C(C5=CC=C(Cl)C=C5)CCC(C)(C)C4)CC3)C=C2)C=C1S(=O)(=O)C(F)(F)F)C(=O)CCCN1C=C(COCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1", "label": -1}, "1012": {"pro_comp_id": 659, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "659_protac.mol2", "smiles": "CN(CC[C@H](CSC1=CC=CC=C1)NC1=CC=C(S(=O)(=O)NC(=O)C2=CC=C(N3CCN(CC4=C(C5=CC=C(Cl)C=C5)CCC(C)(C)C4)CC3)C=C2)C=C1S(=O)(=O)C(F)(F)F)C(=O)CCCN1C=C(COCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1", "label": -1}, "1013": {"pro_comp_id": 660, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "660_protac.mol2", "smiles": "CN(CC[C@H](CSC1=CC=CC=C1)NC1=CC=C(S(=O)(=O)NC(=O)C2=CC=C(N3CCN(CC4=C(C5=CC=C(Cl)C=C5)CCC(C)(C)C4)CC3)C=C2)C=C1S(=O)(=O)C(F)(F)F)C(=O)CCCCCCN1C=C(COCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1", "label": -1}, "1014": {"pro_comp_id": 661, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "661_protac.mol2", "smiles": "CN(CC[C@H](CSC1=CC=CC=C1)NC1=CC=C(S(=O)(=O)NC(=O)C2=CC=C(N3CCN(CC4=C(C5=CC=C(Cl)C=C5)CCC(C)(C)C4)CC3)C=C2)C=C1S(=O)(=O)C(F)(F)F)C(=O)CCCCCCN1C=C(COCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1", "label": -1}, "1015": {"pro_comp_id": 662, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "662_protac.mol2", "smiles": "CN(CCCCCCCN1C=C(COCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1)CC[C@H](CSC1=CC=CC=C1)NC1=CC=C(S(=O)(=O)NC(=O)C2=CC=C(N3CCN(CC4=C(C5=CC=C(Cl)C=C5)CCC(C)(C)C4)CC3)C=C2)C=C1S(=O)(=O)C(F)(F)F", "label": 1}, "1016": {"pro_comp_id": 663, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "663_protac.mol2", "smiles": "CN(CCCCCCCN1C=C(COCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1)CC[C@H](CSC1=CC=CC=C1)NC1=CC=C(S(=O)(=O)NC(=O)C2=CC=C(N3CCN(CC4=C(C5=CC=C(Cl)C=C5)CCC(C)(C)C4)CC3)C=C2)C=C1S(=O)(=O)C(F)(F)F", "label": -1}, "1017": {"pro_comp_id": 664, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "664_protac.mol2", "smiles": "CN(CCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC[C@H](CSC1=CC=CC=C1)NC1=CC=C(S(=O)(=O)NC(=O)C2=CC=C(N3CCN(CC4=C(C5=CC=C(Cl)C=C5)CCC(C)(C)C4)CC3)C=C2)C=C1S(=O)(=O)C(F)(F)F", "label": 1}, "1018": {"pro_comp_id": 665, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "665_protac.mol2", "smiles": "CN(CCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC[C@H](CSC1=CC=CC=C1)NC1=CC=C(S(=O)(=O)NC(=O)C2=CC=C(N3CCN(CC4=C(C5=CC=C(Cl)C=C5)CCC(C)(C)C4)CC3)C=C2)C=C1S(=O)(=O)C(F)(F)F", "label": -1}, "1019": {"pro_comp_id": 666, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "666_protac.mol2", "smiles": "CN(CCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC[C@H](CSC1=CC=CC=C1)NC1=CC=C(S(=O)(=O)NC(=O)C2=CC=C(N3CCN(CC4=C(C5=CC=C(Cl)C=C5)CCC(C)(C)C4)CC3)C=C2)C=C1S(=O)(=O)C(F)(F)F", "label": -1}, "1020": {"pro_comp_id": 667, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "667_protac.mol2", "smiles": "CN(CCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC[C@H](CSC1=CC=CC=C1)NC1=CC=C(S(=O)(=O)NC(=O)C2=CC=C(N3CCN(CC4=C(C5=CC=C(Cl)C=C5)CCC(C)(C)C4)CC3)C=C2)C=C1S(=O)(=O)C(F)(F)F", "label": -1}, "1021": {"pro_comp_id": 668, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "668_protac.mol2", "smiles": "CN(CCCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC[C@H](CSC1=CC=CC=C1)NC1=CC=C(S(=O)(=O)NC(=O)C2=CC=C(N3CCN(CC4=C(C5=CC=C(Cl)C=C5)CCC(C)(C)C4)CC3)C=C2)C=C1S(=O)(=O)C(F)(F)F", "label": -1}, "1022": {"pro_comp_id": 669, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "669_protac.mol2", "smiles": "CN(CCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC[C@H](CSC1=CC=CC=C1)NC1=CC=C(S(=O)(=O)NC(=O)C2=CC=C(N3CCN(CC4=C(C5=CC=C(Cl)C=C5)CCC(C)(C)C4)CC3)C=C2)C=C1S(=O)(=O)C(F)(F)F", "label": -1}, "1023": {"pro_comp_id": 670, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "670_protac.mol2", "smiles": "CN(CCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC[C@H](CSC1=CC=CC=C1)NC1=CC=C(S(=O)(=O)NC(=O)C2=CC=C(N3CCN(CC4=C(C5=CC=C(Cl)C=C5)CCC(C)(C)C4)CC3)C=C2)C=C1S(=O)(=O)C(F)(F)F", "label": 1}, "1024": {"pro_comp_id": 671, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "671_protac.mol2", "smiles": "CN(CCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC[C@H](CSC1=CC=CC=C1)NC1=CC=C(S(=O)(=O)NC(=O)C2=CC=C(N3CCN(CC4=C(C5=CC=C(Cl)C=C5)CCC(C)(C)C4)CC3)C=C2)C=C1S(=O)(=O)C(F)(F)F", "label": -1}, "1025": {"pro_comp_id": 672, "tar_path": "CYP1B1_Q16678.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CYP1B1_Q16678_75_lig_smina_out.mol2", "protac_path": "672_protac.mol2", "smiles": "COC1=CC=C(OC)C2=C1C(OC)=CC1=C2OC(C2=CC=C(C3=CN(CCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)=CC1=O", "label": -1}, "1026": {"pro_comp_id": 673, "tar_path": "CYP1B1_Q16678.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CYP1B1_Q16678_75_lig_smina_out.mol2", "protac_path": "673_protac.mol2", "smiles": "COC1=CC=C(OC)C2=C1C(OC)=CC1=C2OC(C2=CC=C(C3=CN(CCCCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)=CC1=O", "label": -1}, "1027": {"pro_comp_id": 674, "tar_path": "CYP1B1_Q16678.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CYP1B1_Q16678_75_lig_smina_out.mol2", "protac_path": "674_protac.mol2", "smiles": "COC1=CC=C(OC)C2=C1C(OC)=CC1=C2OC(C2=CC=C(C3=CN(CCCCCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)=CC1=O", "label": -1}, "1028": {"pro_comp_id": 675, "tar_path": "CYP1B1_Q16678.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CYP1B1_Q16678_75_lig_smina_out.mol2", "protac_path": "675_protac.mol2", "smiles": "COC1=CC=C(OC)C2=C1C(OC)=CC1=C2OC(C2=CC=C(C3=CN(CCCCCCCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)=CC1=O", "label": -1}, "1029": {"pro_comp_id": 676, "tar_path": "eIF4E_P06730.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "eIF4E_P06730_80_lig_smina_out.mol2", "protac_path": "676_protac.mol2", "smiles": "NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)(O)NCCCCCC(=O)NC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)[C@@H](O)[C@H]2O)C(=O)[NH]1", "label": -1}, "1030": {"pro_comp_id": 677, "tar_path": "eIF4E_P06730.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "eIF4E_P06730_76_lig_smina_out.mol2", "protac_path": "677_protac.mol2", "smiles": "NC1=NC2=C(C(=O)[NH]1)[N+](CC1=CC=CC=C1)=CN2[C@@H]1O[C@H](COP(=O)(O)NCCCCCC(=O)NC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)[C@@H](O)[C@H]1O", "label": -1}, "1031": {"pro_comp_id": 678, "tar_path": "eIF4E_P06730.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "eIF4E_P06730_77_lig_smina_out.mol2", "protac_path": "678_protac.mol2", "smiles": "NC1=NC2=C(C(=O)[NH]1)[N+](CC1=CC=C(F)C=C1)=CN2[C@@H]1O[C@H](COP(=O)(O)NCCCCCC(=O)NC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)[C@@H](O)[C@H]1O", "label": -1}, "1032": {"pro_comp_id": 679, "tar_path": "eIF4E_P06730.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "eIF4E_P06730_80_lig_smina_out.mol2", "protac_path": "679_protac.mol2", "smiles": "NC1=NC2=C(N=CN2[C@@H]2O[C@H](COS(=O)(=O)NC(=O)CCC(=O)NCCCCCC(=O)NC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)[C@@H](O)[C@H]2O)C(=O)[NH]1", "label": -1}, "1033": {"pro_comp_id": 680, "tar_path": "eIF4E_P06730.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "eIF4E_P06730_76_lig_smina_out.mol2", "protac_path": "680_protac.mol2", "smiles": "NC1=NC2=C(C(=O)[NH]1)[N+](CC1=CC=CC=C1)=CN2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCC(=O)NCCCCCC(=O)NC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)[C@@H](O)[C@H]1O", "label": -1}, "1034": {"pro_comp_id": 681, "tar_path": "eIF4E_P06730.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "eIF4E_P06730_77_lig_smina_out.mol2", "protac_path": "681_protac.mol2", "smiles": "NC1=NC2=C(C(=O)[NH]1)[N+](CC1=CC=C(F)C=C1)=CN2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCC(=O)NCCCCCC(=O)NC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)[C@@H](O)[C@H]1O", "label": -1}, "1035": {"pro_comp_id": 682, "tar_path": "eIF4E_P06730.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "eIF4E_P06730_81_lig_smina_out.mol2", "protac_path": "682_protac.mol2", "smiles": "NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)NCCCCCC(=O)NC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)[C@@H](O)[C@H]2O)C(=O)[NH]1", "label": -1}, "1036": {"pro_comp_id": 683, "tar_path": "eIF4E_P06730.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "eIF4E_P06730_81_lig_smina_out.mol2", "protac_path": "683_protac.mol2", "smiles": "NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)NCCOCCOCCOCCC(=O)NC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)[C@@H](O)[C@H]2O)C(=O)[NH]1", "label": -1}, "1037": {"pro_comp_id": 684, "tar_path": "eIF4E_P06730.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "eIF4E_P06730_81_lig_smina_out.mol2", "protac_path": "684_protac.mol2", "smiles": "NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)NCCOCCOCCOCCOCCOCCOCCOCCC(=O)NC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)[C@@H](O)[C@H]2O)C(=O)[NH]1", "label": -1}, "1038": {"pro_comp_id": 685, "tar_path": "eIF4E_P06730.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "eIF4E_P06730_78_lig_smina_out.mol2", "protac_path": "685_protac.mol2", "smiles": "NC1=NC2=C(C(=O)[NH]1)[N+](CC1=CC=CC=C1)=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)NCCCCCC(=O)NC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)[C@@H](O)[C@H]1O", "label": -1}, "1039": {"pro_comp_id": 686, "tar_path": "eIF4E_P06730.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "eIF4E_P06730_79_lig_smina_out.mol2", "protac_path": "686_protac.mol2", "smiles": "NC1=NC2=C(C(=O)[NH]1)[N+](CC1=CC=C(F)C=C1)=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)NCCCCCC(=O)NC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)[C@@H](O)[C@H]1O", "label": -1}, "1040": {"pro_comp_id": 687, "tar_path": "eIF4E_P06730.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "eIF4E_P06730_78_lig_smina_out.mol2", "protac_path": "687_protac.mol2", "smiles": "NC1=NC2=C(C(=O)[NH]1)[N+](CC1=CC=CC=C1)=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)NCCOCCOCCOCCC(=O)NC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)[C@@H](O)[C@H]1O", "label": -1}, "1041": {"pro_comp_id": 688, "tar_path": "eIF4E_P06730.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "eIF4E_P06730_79_lig_smina_out.mol2", "protac_path": "688_protac.mol2", "smiles": "NC1=NC2=C(C(=O)[NH]1)[N+](CC1=CC=C(F)C=C1)=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)NCCOCCOCCOCCC(=O)NC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)[C@@H](O)[C@H]1O", "label": -1}, "1042": {"pro_comp_id": 689, "tar_path": "eIF4E_P06730.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "eIF4E_P06730_78_lig_smina_out.mol2", "protac_path": "689_protac.mol2", "smiles": "NC1=NC2=C(C(=O)[NH]1)[N+](CC1=CC=CC=C1)=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)NCCOCCOCCOCCOCCOCCOCCOCCC(=O)NC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)[C@@H](O)[C@H]1O", "label": -1}, "1043": {"pro_comp_id": 690, "tar_path": "eIF4E_P06730.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "eIF4E_P06730_79_lig_smina_out.mol2", "protac_path": "690_protac.mol2", "smiles": "NC1=NC2=C(C(=O)[NH]1)[N+](CC1=CC=C(F)C=C1)=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)NCCOCCOCCOCCOCCOCCOCCOCCC(=O)NC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)[C@@H](O)[C@H]1O", "label": -1}, "1044": {"pro_comp_id": 691, "tar_path": "eIF4E_P06730.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "eIF4E_P06730_81_lig_smina_out.mol2", "protac_path": "691_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCNP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C4N=C(N)[NH]C5=O)[C@H](O)[C@@H]3O)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1045": {"pro_comp_id": 692, "tar_path": "eIF4E_P06730.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "eIF4E_P06730_78_lig_smina_out.mol2", "protac_path": "692_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCNP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=[N+](CC5=CC=CC=C5)C5=C4N=C(N)[NH]C5=O)[C@H](O)[C@@H]3O)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1046": {"pro_comp_id": 693, "tar_path": "eIF4E_P06730.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "eIF4E_P06730_79_lig_smina_out.mol2", "protac_path": "693_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCNP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=[N+](CC5=CC=C(F)C=C5)C5=C4N=C(N)[NH]C5=O)[C@H](O)[C@@H]3O)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1047": {"pro_comp_id": 694, "tar_path": "CRABP-I_P29762.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_38_lig_smina_out.mol2", "war_path": "CRABP-I_P29762_82_lig_smina_out.mol2", "protac_path": "694_protac.mol2", "smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CC/C1=N\\OCC(=O)NCCOCCOC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CC1=CC=CC=C1", "label": -1}, "1048": {"pro_comp_id": 694, "tar_path": "CRABP-II_P29373.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_38_lig_smina_out.mol2", "war_path": "CRABP-II_P29373_82_lig_smina_out.mol2", "protac_path": "694_protac.mol2", "smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CC/C1=N\\OCC(=O)NCCOCCOC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CC1=CC=CC=C1", "label": -1}, "1049": {"pro_comp_id": 695, "tar_path": "CRABP-I_P29762.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_38_lig_smina_out.mol2", "war_path": "CRABP-I_P29762_82_lig_smina_out.mol2", "protac_path": "695_protac.mol2", "smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CC/C1=N\\OCC(=O)NCCOCCOCCOC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CC1=CC=CC=C1", "label": -1}, "1050": {"pro_comp_id": 695, "tar_path": "CRABP-II_P29373.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_38_lig_smina_out.mol2", "war_path": "CRABP-II_P29373_82_lig_smina_out.mol2", "protac_path": "695_protac.mol2", "smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CC/C1=N\\OCC(=O)NCCOCCOCCOC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CC1=CC=CC=C1", "label": -1}, "1051": {"pro_comp_id": 696, "tar_path": "CRABP-I_P29762.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_38_lig_smina_out.mol2", "war_path": "CRABP-I_P29762_82_lig_smina_out.mol2", "protac_path": "696_protac.mol2", "smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CC/C1=N\\OCC(=O)NCCOCCOCCOCCOC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CC1=CC=CC=C1", "label": -1}, "1052": {"pro_comp_id": 696, "tar_path": "CRABP-II_P29373.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_38_lig_smina_out.mol2", "war_path": "CRABP-II_P29373_82_lig_smina_out.mol2", "protac_path": "696_protac.mol2", "smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CC/C1=N\\OCC(=O)NCCOCCOCCOCCOC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CC1=CC=CC=C1", "label": -1}, "1053": {"pro_comp_id": 697, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "697_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCC(=O)N3CCN(CC[C@H](CSC4=CC=CC=C4)NC4=CC=C(S(=O)(=O)NC(=O)C5=CC=C(N6CCN(CC7=C(C8=CC=C(Cl)C=C8)CCC(C)(C)C7)CC6)C=C5)C=C4S(=O)(=O)C(F)(F)F)CC3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "1054": {"pro_comp_id": 697, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "697_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCC(=O)N3CCN(CC[C@H](CSC4=CC=CC=C4)NC4=CC=C(S(=O)(=O)NC(=O)C5=CC=C(N6CCN(CC7=C(C8=CC=C(Cl)C=C8)CCC(C)(C)C7)CC6)C=C5)C=C4S(=O)(=O)C(F)(F)F)CC3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "1055": {"pro_comp_id": 698, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "698_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "1056": {"pro_comp_id": 698, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "698_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "1057": {"pro_comp_id": 699, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "699_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "1058": {"pro_comp_id": 699, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "699_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "1059": {"pro_comp_id": 700, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "700_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCCCCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "1060": {"pro_comp_id": 700, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "700_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCCCCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "1061": {"pro_comp_id": 701, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "701_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 1}, "1062": {"pro_comp_id": 701, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "701_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "1063": {"pro_comp_id": 701, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "701_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "1064": {"pro_comp_id": 701, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Wee1_P30291_32_lig_smina_out.mol2", "protac_path": "701_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "1065": {"pro_comp_id": 701, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "701_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 1}, "1066": {"pro_comp_id": 702, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "702_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "1067": {"pro_comp_id": 702, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "702_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "1068": {"pro_comp_id": 702, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "Wee1_P30291_32_lig_smina_out.mol2", "protac_path": "702_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "1069": {"pro_comp_id": 702, "tar_path": "PDK1_Q15118.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PDK1_Q15118_32_lig_smina_out.mol2", "protac_path": "702_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "1070": {"pro_comp_id": 703, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "703_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "1071": {"pro_comp_id": 703, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "703_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "1072": {"pro_comp_id": 704, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "704_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "1073": {"pro_comp_id": 704, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "704_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "1074": {"pro_comp_id": 704, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "704_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "1075": {"pro_comp_id": 704, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "704_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "1076": {"pro_comp_id": 705, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "705_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "1077": {"pro_comp_id": 705, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "705_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "1078": {"pro_comp_id": 706, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_55_lig_smina_out.mol2", "protac_path": "706_protac.mol2", "smiles": "CN(C)C(=O)C1=CC2=CN=C(NC3=CC=C(N4CCN(CCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N1C1CCCC1", "label": -1}, "1079": {"pro_comp_id": 706, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_55_lig_smina_out.mol2", "protac_path": "706_protac.mol2", "smiles": "CN(C)C(=O)C1=CC2=CN=C(NC3=CC=C(N4CCN(CCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N1C1CCCC1", "label": -1}, "1080": {"pro_comp_id": 707, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_55_lig_smina_out.mol2", "protac_path": "707_protac.mol2", "smiles": "CN(C)C(=O)C1=CC2=CN=C(NC3=CC=C(N4CCN(CCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N1C1CCCC1", "label": -1}, "1081": {"pro_comp_id": 707, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_55_lig_smina_out.mol2", "protac_path": "707_protac.mol2", "smiles": "CN(C)C(=O)C1=CC2=CN=C(NC3=CC=C(N4CCN(CCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N1C1CCCC1", "label": -1}, "1082": {"pro_comp_id": 708, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_55_lig_smina_out.mol2", "protac_path": "708_protac.mol2", "smiles": "CN(C)C(=O)C1=CC2=CN=C(NC3=CC=C(N4CCN(CCCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N1C1CCCC1", "label": -1}, "1083": {"pro_comp_id": 708, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_55_lig_smina_out.mol2", "protac_path": "708_protac.mol2", "smiles": "CN(C)C(=O)C1=CC2=CN=C(NC3=CC=C(N4CCN(CCCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N1C1CCCC1", "label": -1}, "1084": {"pro_comp_id": 709, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK4_P11802_55_lig_smina_out.mol2", "protac_path": "709_protac.mol2", "smiles": "CN(C)C(=O)C1=CC2=CN=C(NC3=CC=C(N4CCN(CCCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N1C1CCCC1", "label": -1}, "1085": {"pro_comp_id": 709, "tar_path": "BCKDK_O14874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BCKDK_O14874_55_lig_smina_out.mol2", "protac_path": "709_protac.mol2", "smiles": "CN(C)C(=O)C1=CC2=CN=C(NC3=CC=C(N4CCN(CCCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N1C1CCCC1", "label": -1}, "1086": {"pro_comp_id": 709, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK6_Q00534_55_lig_smina_out.mol2", "protac_path": "709_protac.mol2", "smiles": "CN(C)C(=O)C1=CC2=CN=C(NC3=CC=C(N4CCN(CCCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N1C1CCCC1", "label": -1}, "1087": {"pro_comp_id": 709, "tar_path": "PDK1_Q15118.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PDK1_Q15118_55_lig_smina_out.mol2", "protac_path": "709_protac.mol2", "smiles": "CN(C)C(=O)C1=CC2=CN=C(NC3=CC=C(N4CCN(CCCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N1C1CCCC1", "label": -1}, "1088": {"pro_comp_id": 709, "tar_path": "PDK2_Q15119.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PDK2_Q15119_55_lig_smina_out.mol2", "protac_path": "709_protac.mol2", "smiles": "CN(C)C(=O)C1=CC2=CN=C(NC3=CC=C(N4CCN(CCCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N1C1CCCC1", "label": -1}, "1089": {"pro_comp_id": 709, "tar_path": "PDK3_Q15120.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PDK3_Q15120_55_lig_smina_out.mol2", "protac_path": "709_protac.mol2", "smiles": "CN(C)C(=O)C1=CC2=CN=C(NC3=CC=C(N4CCN(CCCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N1C1CCCC1", "label": -1}, "1090": {"pro_comp_id": 709, "tar_path": "COQ8A_Q8NI60.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "COQ8A_Q8NI60_55_lig_smina_out.mol2", "protac_path": "709_protac.mol2", "smiles": "CN(C)C(=O)C1=CC2=CN=C(NC3=CC=C(N4CCN(CCCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N1C1CCCC1", "label": -1}, "1091": {"pro_comp_id": 710, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_54_lig_smina_out.mol2", "protac_path": "710_protac.mol2", "smiles": "CC1=NC2=C(F)C=C(C3=NC(NC4=CC=C(CN5CCN(CCCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=N4)=NC=C3F)C=C2N1C(C)C", "label": -1}, "1092": {"pro_comp_id": 710, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_54_lig_smina_out.mol2", "protac_path": "710_protac.mol2", "smiles": "CC1=NC2=C(F)C=C(C3=NC(NC4=CC=C(CN5CCN(CCCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=N4)=NC=C3F)C=C2N1C(C)C", "label": -1}, "1093": {"pro_comp_id": 711, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_54_lig_smina_out.mol2", "protac_path": "711_protac.mol2", "smiles": "CC1=NC2=C(F)C=C(C3=NC(NC4=CC=C(CN5CCN(CCCCNC(=O)CNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=N4)=NC=C3F)C=C2N1C(C)C", "label": -1}, "1094": {"pro_comp_id": 711, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_54_lig_smina_out.mol2", "protac_path": "711_protac.mol2", "smiles": "CC1=NC2=C(F)C=C(C3=NC(NC4=CC=C(CN5CCN(CCCCNC(=O)CNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=N4)=NC=C3F)C=C2N1C(C)C", "label": -1}, "1096": {"pro_comp_id": 712, "tar_path": "PDEdelta_O43924.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PDEdelta_O43924_83_lig_smina_out.mol2", "protac_path": "712_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCNC(=O)C4=CC=C(CN(CC5CCNCC5)S(=O)(=O)C5=CC=C(S(=O)(=O)N(CC6=CC=C(Cl)C=C6)C6CCCC6)C=C5)C=C4)=C3C2=O)C(=O)N1", "label": -1}, "1097": {"pro_comp_id": 713, "tar_path": "PDEdelta_O43924.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PDEdelta_O43924_83_lig_smina_out.mol2", "protac_path": "713_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCNC(=O)C4=CC=C(CN(CC5CCNCC5)S(=O)(=O)C5=CC=C(S(=O)(=O)N(CC6=CC=C(Cl)C=C6)C6CCCC6)C=C5)C=C4)=C3C2=O)C(=O)N1", "label": -1}, "1098": {"pro_comp_id": 714, "tar_path": "PDEdelta_O43924.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PDEdelta_O43924_83_lig_smina_out.mol2", "protac_path": "714_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOCCNC(=O)C4=CC=C(CN(CC5CCNCC5)S(=O)(=O)C5=CC=C(S(=O)(=O)N(CC6=CC=C(Cl)C=C6)C6CCCC6)C=C5)C=C4)=C3C2=O)C(=O)N1", "label": 1}, "1099": {"pro_comp_id": 715, "tar_path": "PDEdelta_O43924.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PDEdelta_O43924_83_lig_smina_out.mol2", "protac_path": "715_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCNC(=O)C3=CC=C(CN(CC4CCNCC4)S(=O)(=O)C4=CC=C(S(=O)(=O)N(CC5=CC=C(Cl)C=C5)C5CCCC5)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1100": {"pro_comp_id": 716, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_84_lig_smina_out.mol2", "protac_path": "716_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCC4=CN(CCCC(=O)N5CCN(CC#CC6=CC=C(OCCCC7=C(C(=O)O)N=C(N8CCC9=CC=CC(C(=O)NC%10=NC%11=CC=CC=C%11S%10)=C9C8)S7)C(F)=C6)CC5)N=N4)=C3C2=O)C(=O)N1", "label": -1}, "1101": {"pro_comp_id": 717, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_84_lig_smina_out.mol2", "protac_path": "717_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCC4=CN(CCCC(=O)N5CCN(CC#CC6=CC=C(OCCCC7=C(C(=O)O)N=C(N8CCC9=CC=CC(C(=O)NC%10=NC%11=CC=CC=C%11S%10)=C9C8)S7)C(F)=C6)CC5)N=N4)=C3C2=O)C(=O)N1", "label": 1}, "1102": {"pro_comp_id": 718, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_84_lig_smina_out.mol2", "protac_path": "718_protac.mol2", "smiles": "O=C1CCC(N2CC3=C(NC(=O)COCCOCCOCC4=CN(CCCC(=O)N5CCN(CC#CC6=CC=C(OCCCC7=C(C(=O)O)N=C(N8CCC9=CC=CC(C(=O)NC%10=NC%11=CC=CC=C%11S%10)=C9C8)S7)C(F)=C6)CC5)N=N4)C=CC=C3C2=O)C(=O)N1", "label": -1}, "1103": {"pro_comp_id": 719, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "719_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCC(=O)NC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 1}, "1104": {"pro_comp_id": 719, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "719_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCC(=O)NC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 1}, "1105": {"pro_comp_id": 720, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "720_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCC(=O)NC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "1106": {"pro_comp_id": 720, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "720_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCC(=O)NC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "1107": {"pro_comp_id": 721, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_55_lig_smina_out.mol2", "protac_path": "721_protac.mol2", "smiles": "CN(C)C(=O)C1=CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCC(=O)NC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N1C1CCCC1", "label": 1}, "1108": {"pro_comp_id": 721, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_55_lig_smina_out.mol2", "protac_path": "721_protac.mol2", "smiles": "CN(C)C(=O)C1=CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCC(=O)NC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N1C1CCCC1", "label": 0}, "1109": {"pro_comp_id": 722, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_55_lig_smina_out.mol2", "protac_path": "722_protac.mol2", "smiles": "CN(C)C(=O)C1=CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCC(=O)NC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N1C1CCCC1", "label": -1}, "1110": {"pro_comp_id": 722, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_55_lig_smina_out.mol2", "protac_path": "722_protac.mol2", "smiles": "CN(C)C(=O)C1=CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCC(=O)NC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N1C1CCCC1", "label": -1}, "1111": {"pro_comp_id": 723, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_85_lig_smina_out.mol2", "protac_path": "723_protac.mol2", "smiles": "CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(NC(=O)CCCC2=CN(CCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1", "label": 1}, "1112": {"pro_comp_id": 724, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_85_lig_smina_out.mol2", "protac_path": "724_protac.mol2", "smiles": "CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(NC(=O)CCCC2=CN(CCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1", "label": -1}, "1113": {"pro_comp_id": 725, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_85_lig_smina_out.mol2", "protac_path": "725_protac.mol2", "smiles": "CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(NC(=O)CCCC2=CN(CCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1", "label": -1}, "1114": {"pro_comp_id": 726, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_85_lig_smina_out.mol2", "protac_path": "726_protac.mol2", "smiles": "CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(NC(=O)CCCC2=CN(CCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1", "label": -1}, "1115": {"pro_comp_id": 727, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_86_lig_smina_out.mol2", "protac_path": "727_protac.mol2", "smiles": "NC1=CC=CC=C1NC(=O)C1=CC=C(NC(=O)CCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "1116": {"pro_comp_id": 727, "tar_path": "HDAC2_Q92769.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HDAC2_Q92769_86_lig_smina_out.mol2", "protac_path": "727_protac.mol2", "smiles": "NC1=CC=CC=C1NC(=O)C1=CC=C(NC(=O)CCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "1117": {"pro_comp_id": 727, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HDAC3_O15379_86_lig_smina_out.mol2", "protac_path": "727_protac.mol2", "smiles": "NC1=CC=CC=C1NC(=O)C1=CC=C(NC(=O)CCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "1118": {"pro_comp_id": 728, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_86_lig_smina_out.mol2", "protac_path": "728_protac.mol2", "smiles": "NC1=CC=CC=C1NC(=O)C1=CC=C(NC(=O)CCCCCCCCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "1119": {"pro_comp_id": 728, "tar_path": "HDAC2_Q92769.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HDAC2_Q92769_86_lig_smina_out.mol2", "protac_path": "728_protac.mol2", "smiles": "NC1=CC=CC=C1NC(=O)C1=CC=C(NC(=O)CCCCCCCCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "1120": {"pro_comp_id": 728, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HDAC3_O15379_86_lig_smina_out.mol2", "protac_path": "728_protac.mol2", "smiles": "NC1=CC=CC=C1NC(=O)C1=CC=C(NC(=O)CCCCCCCCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "1121": {"pro_comp_id": 729, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_86_lig_smina_out.mol2", "protac_path": "729_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1122": {"pro_comp_id": 729, "tar_path": "HDAC2_Q92769.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC2_Q92769_86_lig_smina_out.mol2", "protac_path": "729_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1123": {"pro_comp_id": 729, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC3_O15379_86_lig_smina_out.mol2", "protac_path": "729_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1124": {"pro_comp_id": 730, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_86_lig_smina_out.mol2", "protac_path": "730_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1125": {"pro_comp_id": 730, "tar_path": "HDAC2_Q92769.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC2_Q92769_86_lig_smina_out.mol2", "protac_path": "730_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1126": {"pro_comp_id": 730, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC3_O15379_86_lig_smina_out.mol2", "protac_path": "730_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1127": {"pro_comp_id": 730, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_86_lig_smina_out.mol2", "protac_path": "730_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1128": {"pro_comp_id": 730, "tar_path": "HDAC2_Q92769.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC2_Q92769_86_lig_smina_out.mol2", "protac_path": "730_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1129": {"pro_comp_id": 730, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC3_O15379_86_lig_smina_out.mol2", "protac_path": "730_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1131": {"pro_comp_id": 732, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_38_lig_smina_out.mol2", "war_path": "ER_P03372_88_lig_smina_out.mol2", "protac_path": "732_protac.mol2", "smiles": "CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CC1=CC=CC=C1)C(=O)NCCOCCOCCNC(=O)CO/N=C1\\CC[C@H]2[C@@H]3CCC4=CC(O)=CC=C4[C@H]3CC[C@]12C", "label": -1}, "1132": {"pro_comp_id": 733, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_38_lig_smina_out.mol2", "war_path": "AR_P10275_89_lig_smina_out.mol2", "protac_path": "733_protac.mol2", "smiles": "CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CC1=CC=CC=C1)C(=O)NCCOCCOCCOCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C", "label": -1}, "1133": {"pro_comp_id": 734, "tar_path": "CRABP-II_P29373.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_38_lig_smina_out.mol2", "war_path": "CRABP-II_P29373_82_lig_smina_out.mol2", "protac_path": "734_protac.mol2", "smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CC/C1=N\\OCC(=O)NCCOCCOCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CC1=CC=CC=C1", "label": -1}, "1134": {"pro_comp_id": 735, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_90_lig_smina_out.mol2", "protac_path": "735_protac.mol2", "smiles": "COC1=CC=CC=C1S(=O)(=O)NC1=CC=C2C3=C(C=C(CCC(=O)NCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C13)C(=O)N2C", "label": -1}, "1135": {"pro_comp_id": 736, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_90_lig_smina_out.mol2", "protac_path": "736_protac.mol2", "smiles": "COC1=CC=CC=C1S(=O)(=O)NC1=CC=C2C3=C(C=C(CCC(=O)NCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C13)C(=O)N2C", "label": -1}, "1138": {"pro_comp_id": 737, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_90_lig_smina_out.mol2", "protac_path": "737_protac.mol2", "smiles": "COC1=CC=CC=C1S(=O)(=O)NC1=CC=C2C3=C(C=C(CCC(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C13)C(=O)N2C", "label": -1}, "1139": {"pro_comp_id": 738, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_90_lig_smina_out.mol2", "protac_path": "738_protac.mol2", "smiles": "COC1=CC=CC=C1S(=O)(=O)NC1=CC=C2C3=C(C=C(CCC(=O)NCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C13)C(=O)N2C", "label": -1}, "1140": {"pro_comp_id": 739, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_90_lig_smina_out.mol2", "protac_path": "739_protac.mol2", "smiles": "COC1=CC=CC=C1S(=O)(=O)NC1=CC=C2C3=C(C=C(CCC(=O)NCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C13)C(=O)N2C", "label": -1}, "1141": {"pro_comp_id": 740, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "740_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 1}, "1142": {"pro_comp_id": 740, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "740_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 1}, "1143": {"pro_comp_id": 741, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "741_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOCCOCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 0}, "1144": {"pro_comp_id": 741, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "741_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOCCOCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 1}, "1145": {"pro_comp_id": 741, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "741_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOCCOCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 1}, "1146": {"pro_comp_id": 741, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "741_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOCCOCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 1}, "1147": {"pro_comp_id": 742, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "742_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCOCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 0}, "1148": {"pro_comp_id": 742, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "742_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCOCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 0}, "1149": {"pro_comp_id": 743, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_39_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "743_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)CCCCCCCN2CCN(C3=CC=C(NC4=NC=C5C(C)=C(C(C)=O)C(=O)N(C6CCCC6)C5=N4)N=C3)CC2)C[C@H]1C(=O)NC1=C(F)C=CC=C1F)C(C)(C)C", "label": 1}, "1150": {"pro_comp_id": 743, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_39_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "743_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)CCCCCCCN2CCN(C3=CC=C(NC4=NC=C5C(C)=C(C(C)=O)C(=O)N(C6CCCC6)C5=N4)N=C3)CC2)C[C@H]1C(=O)NC1=C(F)C=CC=C1F)C(C)(C)C", "label": 1}, "1151": {"pro_comp_id": 744, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_39_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "744_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)COCCOCCOCCN2CCN(C3=CC=C(NC4=NC=C5C(C)=C(C(C)=O)C(=O)N(C6CCCC6)C5=N4)N=C3)CC2)C[C@H]1C(=O)NC1=C(F)C=CC=C1F)C(C)(C)C", "label": 1}, "1152": {"pro_comp_id": 744, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_39_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "744_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)COCCOCCOCCN2CCN(C3=CC=C(NC4=NC=C5C(C)=C(C(C)=O)C(=O)N(C6CCCC6)C5=N4)N=C3)CC2)C[C@H]1C(=O)NC1=C(F)C=CC=C1F)C(C)(C)C", "label": 1}, "1153": {"pro_comp_id": 745, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_39_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "745_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)CCOCCOCCOCCNC(=O)CN2CCN(C3=CC=C(NC4=NC=C5C(C)=C(C(C)=O)C(=O)N(C6CCCC6)C5=N4)N=C3)CC2)C[C@H]1C(=O)NC1=C(F)C=CC=C1F)C(C)(C)C", "label": 0}, "1154": {"pro_comp_id": 745, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_39_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "745_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)CCOCCOCCOCCNC(=O)CN2CCN(C3=CC=C(NC4=NC=C5C(C)=C(C(C)=O)C(=O)N(C6CCCC6)C5=N4)N=C3)CC2)C[C@H]1C(=O)NC1=C(F)C=CC=C1F)C(C)(C)C", "label": 0}, "1155": {"pro_comp_id": 746, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "746_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOCCOCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 1}, "1156": {"pro_comp_id": 746, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "746_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOCCOCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 1}, "1160": {"pro_comp_id": 750, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BTK_E41K_Q06187_24_lig_smina_out.mol2", "protac_path": "750_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCN3CCC(N4N=C(C5=CC=C(OC6=CC=CC=C6)C=C5)C5=C(N)N=CN=C54)CC3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "1161": {"pro_comp_id": 751, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_29_lig_smina_out.mol2", "war_path": "BTK_E41K_Q06187_24_lig_smina_out.mol2", "protac_path": "751_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)C(OCCCCOCCCCN3CCC(N4N=C(C5=CC=C(OC6=CC=CC=C6)C=C5)C5=C(N)N=CN=C54)CC3)=C2)SC=N1", "label": 0}, "1162": {"pro_comp_id": 752, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_29_lig_smina_out.mol2", "war_path": "BTK_E41K_Q06187_24_lig_smina_out.mol2", "protac_path": "752_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)C(OCCCOCCC(=O)N3CCC(N4N=C(C5=CC=C(OC6=CC=CC=C6)C=C5)C5=C(N)N=CN=C54)CC3)=C2)SC=N1", "label": 0}, "1163": {"pro_comp_id": 753, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_E41K_Q06187_24_lig_smina_out.mol2", "protac_path": "753_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(CCOCCOCCOC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CC1", "label": 1}, "1164": {"pro_comp_id": 754, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BTK_E41K_Q06187_24_lig_smina_out.mol2", "protac_path": "754_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(CCOCCOCCOC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)CC3=C2)CC1", "label": 1}, "1165": {"pro_comp_id": 755, "tar_path": "JAK1_P23458.pdb", "e3_ligase_path": "XIAP_P98170.pdb", "e3_lig_path": "XIAP_P98170_40_lig_smina_out.mol2", "war_path": "JAK1_P23458_91_lig_smina_out.mol2", "protac_path": "755_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)CCCCCCCCCN2C=C(NC3=NC=C(Cl)C(NCC4=CC(F)=CC=C4F)=N3)C=N2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "1166": {"pro_comp_id": 755, "tar_path": "JAK2_O60674.pdb", "e3_ligase_path": "XIAP_P98170.pdb", "e3_lig_path": "XIAP_P98170_40_lig_smina_out.mol2", "war_path": "JAK2_O60674_91_lig_smina_out.mol2", "protac_path": "755_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)CCCCCCCCCN2C=C(NC3=NC=C(Cl)C(NCC4=CC(F)=CC=C4F)=N3)C=N2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "1167": {"pro_comp_id": 756, "tar_path": "JAK1_P23458.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "JAK1_P23458_91_lig_smina_out.mol2", "protac_path": "756_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCN3C=C(NC4=NC=C(Cl)C(NCC5=CC(F)=CC=C5F)=N4)C=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1168": {"pro_comp_id": 756, "tar_path": "JAK2_O60674.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "JAK2_O60674_91_lig_smina_out.mol2", "protac_path": "756_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCN3C=C(NC4=NC=C(Cl)C(NCC5=CC(F)=CC=C5F)=N4)C=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1169": {"pro_comp_id": 757, "tar_path": "JAK1_P23458.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "JAK1_P23458_91_lig_smina_out.mol2", "protac_path": "757_protac.mol2", "smiles": "O=C1CCC(N2CC3=C(NC(=O)CCCCCCCCCN4C=C(NC5=NC=C(Cl)C(NCC6=CC(F)=CC=C6F)=N5)C=N4)C=CC=C3C2=O)C(=O)N1", "label": 0}, "1170": {"pro_comp_id": 757, "tar_path": "JAK2_O60674.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "JAK2_O60674_91_lig_smina_out.mol2", "protac_path": "757_protac.mol2", "smiles": "O=C1CCC(N2CC3=C(NC(=O)CCCCCCCCCN4C=C(NC5=NC=C(Cl)C(NCC6=CC(F)=CC=C6F)=N5)C=N4)C=CC=C3C2=O)C(=O)N1", "label": 0}, "1171": {"pro_comp_id": 758, "tar_path": "JAK1_P23458.pdb", "e3_ligase_path": "XIAP_P98170.pdb", "e3_lig_path": "XIAP_P98170_40_lig_smina_out.mol2", "war_path": "JAK1_P23458_91_lig_smina_out.mol2", "protac_path": "758_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)COCCOCCOCCOCCN2C=C(NC3=NC=C(Cl)C(NCC4=CC(F)=CC=C4F)=N3)C=N2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "1172": {"pro_comp_id": 758, "tar_path": "JAK2_O60674.pdb", "e3_ligase_path": "XIAP_P98170.pdb", "e3_lig_path": "XIAP_P98170_40_lig_smina_out.mol2", "war_path": "JAK2_O60674_91_lig_smina_out.mol2", "protac_path": "758_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)COCCOCCOCCOCCN2C=C(NC3=NC=C(Cl)C(NCC4=CC(F)=CC=C4F)=N3)C=N2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "1173": {"pro_comp_id": 759, "tar_path": "JAK1_P23458.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "JAK1_P23458_91_lig_smina_out.mol2", "protac_path": "759_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCN3C=C(NC4=NC=C(Cl)C(NCC5=CC(F)=CC=C5F)=N4)C=N3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "1174": {"pro_comp_id": 759, "tar_path": "JAK2_O60674.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "JAK2_O60674_91_lig_smina_out.mol2", "protac_path": "759_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCN3C=C(NC4=NC=C(Cl)C(NCC5=CC(F)=CC=C5F)=N4)C=N3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "1175": {"pro_comp_id": 760, "tar_path": "JAK1_P23458.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "JAK1_P23458_91_lig_smina_out.mol2", "protac_path": "760_protac.mol2", "smiles": "O=C1CCC(N2CC3=C(NC(=O)COCCOCCOCCOCCN4C=C(NC5=NC=C(Cl)C(NCC6=CC(F)=CC=C6F)=N5)C=N4)C=CC=C3C2=O)C(=O)N1", "label": 0}, "1176": {"pro_comp_id": 760, "tar_path": "JAK2_O60674.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "JAK2_O60674_91_lig_smina_out.mol2", "protac_path": "760_protac.mol2", "smiles": "O=C1CCC(N2CC3=C(NC(=O)COCCOCCOCCOCCN4C=C(NC5=NC=C(Cl)C(NCC6=CC(F)=CC=C6F)=N5)C=N4)C=CC=C3C2=O)C(=O)N1", "label": 0}, "1177": {"pro_comp_id": 761, "tar_path": "JAK1_P23458.pdb", "e3_ligase_path": "XIAP_P98170.pdb", "e3_lig_path": "XIAP_P98170_40_lig_smina_out.mol2", "war_path": "JAK1_P23458_91_lig_smina_out.mol2", "protac_path": "761_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)CCCCCCCCCOC2=CC(F)=CC(CNC3=NC(NC4=CN(C)N=C4)=NC=C3Cl)=C2F)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "1178": {"pro_comp_id": 761, "tar_path": "JAK2_O60674.pdb", "e3_ligase_path": "XIAP_P98170.pdb", "e3_lig_path": "XIAP_P98170_40_lig_smina_out.mol2", "war_path": "JAK2_O60674_91_lig_smina_out.mol2", "protac_path": "761_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)CCCCCCCCCOC2=CC(F)=CC(CNC3=NC(NC4=CN(C)N=C4)=NC=C3Cl)=C2F)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "1179": {"pro_comp_id": 762, "tar_path": "JAK1_P23458.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "JAK1_P23458_91_lig_smina_out.mol2", "protac_path": "762_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCOC3=CC(F)=CC(CNC4=NC(NC5=CN(C)N=C5)=NC=C4Cl)=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1180": {"pro_comp_id": 762, "tar_path": "JAK2_O60674.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "JAK2_O60674_91_lig_smina_out.mol2", "protac_path": "762_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCOC3=CC(F)=CC(CNC4=NC(NC5=CN(C)N=C5)=NC=C4Cl)=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1181": {"pro_comp_id": 763, "tar_path": "JAK1_P23458.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "JAK1_P23458_91_lig_smina_out.mol2", "protac_path": "763_protac.mol2", "smiles": "CN1C=C(NC2=NC=C(Cl)C(NCC3=CC(F)=CC(OCCCCCCCCCC(=O)NC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)=C3F)=N2)C=N1", "label": -1}, "1182": {"pro_comp_id": 763, "tar_path": "JAK2_O60674.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "JAK2_O60674_91_lig_smina_out.mol2", "protac_path": "763_protac.mol2", "smiles": "CN1C=C(NC2=NC=C(Cl)C(NCC3=CC(F)=CC(OCCCCCCCCCC(=O)NC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)=C3F)=N2)C=N1", "label": -1}, "1183": {"pro_comp_id": 764, "tar_path": "JAK1_P23458.pdb", "e3_ligase_path": "XIAP_P98170.pdb", "e3_lig_path": "XIAP_P98170_40_lig_smina_out.mol2", "war_path": "JAK1_P23458_91_lig_smina_out.mol2", "protac_path": "764_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)COCCOCCOCCOCCOC2=CC(F)=CC(CNC3=NC(NC4=CN(C)N=C4)=NC=C3Cl)=C2F)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "1184": {"pro_comp_id": 764, "tar_path": "JAK2_O60674.pdb", "e3_ligase_path": "XIAP_P98170.pdb", "e3_lig_path": "XIAP_P98170_40_lig_smina_out.mol2", "war_path": "JAK2_O60674_91_lig_smina_out.mol2", "protac_path": "764_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)COCCOCCOCCOCCOC2=CC(F)=CC(CNC3=NC(NC4=CN(C)N=C4)=NC=C3Cl)=C2F)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "1185": {"pro_comp_id": 765, "tar_path": "JAK1_P23458.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "JAK1_P23458_91_lig_smina_out.mol2", "protac_path": "765_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOC3=CC(F)=CC(CNC4=NC(NC5=CN(C)N=C5)=NC=C4Cl)=C3F)C(C)(C)C)C=C2)SC=N1", "label": 0}, "1186": {"pro_comp_id": 765, "tar_path": "JAK2_O60674.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "JAK2_O60674_91_lig_smina_out.mol2", "protac_path": "765_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOC3=CC(F)=CC(CNC4=NC(NC5=CN(C)N=C5)=NC=C4Cl)=C3F)C(C)(C)C)C=C2)SC=N1", "label": 0}, "1187": {"pro_comp_id": 766, "tar_path": "JAK1_P23458.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "JAK1_P23458_91_lig_smina_out.mol2", "protac_path": "766_protac.mol2", "smiles": "CN1C=C(NC2=NC=C(Cl)C(NCC3=CC(F)=CC(OCCOCCOCCOCCOCC(=O)NC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)=C3F)=N2)C=N1", "label": -1}, "1188": {"pro_comp_id": 766, "tar_path": "JAK2_O60674.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "JAK2_O60674_91_lig_smina_out.mol2", "protac_path": "766_protac.mol2", "smiles": "CN1C=C(NC2=NC=C(Cl)C(NCC3=CC(F)=CC(OCCOCCOCCOCCOCC(=O)NC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)=C3F)=N2)C=N1", "label": -1}, "1189": {"pro_comp_id": 767, "tar_path": "JAK1_P23458.pdb", "e3_ligase_path": "XIAP_P98170.pdb", "e3_lig_path": "XIAP_P98170_40_lig_smina_out.mol2", "war_path": "JAK1_P23458_91_lig_smina_out.mol2", "protac_path": "767_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)COCCOCCOCCOCCOCCOCCOC2=CC(F)=CC(CNC3=NC(NC4=CN(C)N=C4)=NC=C3Cl)=C2F)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "1190": {"pro_comp_id": 767, "tar_path": "JAK2_O60674.pdb", "e3_ligase_path": "XIAP_P98170.pdb", "e3_lig_path": "XIAP_P98170_40_lig_smina_out.mol2", "war_path": "JAK2_O60674_91_lig_smina_out.mol2", "protac_path": "767_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)COCCOCCOCCOCCOCCOCCOC2=CC(F)=CC(CNC3=NC(NC4=CN(C)N=C4)=NC=C3Cl)=C2F)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "1191": {"pro_comp_id": 768, "tar_path": "JAK1_P23458.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "JAK1_P23458_91_lig_smina_out.mol2", "protac_path": "768_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCOCCOC3=CC(F)=CC(CNC4=NC(NC5=CN(C)N=C5)=NC=C4Cl)=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1192": {"pro_comp_id": 768, "tar_path": "JAK2_O60674.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "JAK2_O60674_91_lig_smina_out.mol2", "protac_path": "768_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCOCCOC3=CC(F)=CC(CNC4=NC(NC5=CN(C)N=C5)=NC=C4Cl)=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1193": {"pro_comp_id": 769, "tar_path": "JAK1_P23458.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "JAK1_P23458_91_lig_smina_out.mol2", "protac_path": "769_protac.mol2", "smiles": "CN1C=C(NC2=NC=C(Cl)C(NCC3=CC(F)=CC(OCCOCCOCCOCCOCCOCCOCC(=O)NC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)=C3F)=N2)C=N1", "label": -1}, "1194": {"pro_comp_id": 769, "tar_path": "JAK2_O60674.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "JAK2_O60674_91_lig_smina_out.mol2", "protac_path": "769_protac.mol2", "smiles": "CN1C=C(NC2=NC=C(Cl)C(NCC3=CC(F)=CC(OCCOCCOCCOCCOCCOCCOCC(=O)NC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)=C3F)=N2)C=N1", "label": -1}, "1195": {"pro_comp_id": 770, "tar_path": "JAK1_P23458.pdb", "e3_ligase_path": "XIAP_P98170.pdb", "e3_lig_path": "XIAP_P98170_40_lig_smina_out.mol2", "war_path": "JAK1_P23458_92_lig_smina_out.mol2", "protac_path": "770_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)CCCCCCCCCN2CCN(CCCOC3=CC=C(C4=CN=C5C=CC=C(C6=CC(F)=C(CN7CCS(=O)(=O)CC7)C(F)=C6)C5=N4)C=C3OC)CC2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "1196": {"pro_comp_id": 770, "tar_path": "JAK2_O60674.pdb", "e3_ligase_path": "XIAP_P98170.pdb", "e3_lig_path": "XIAP_P98170_40_lig_smina_out.mol2", "war_path": "JAK2_O60674_92_lig_smina_out.mol2", "protac_path": "770_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)CCCCCCCCCN2CCN(CCCOC3=CC=C(C4=CN=C5C=CC=C(C6=CC(F)=C(CN7CCS(=O)(=O)CC7)C(F)=C6)C5=N4)C=C3OC)CC2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "1197": {"pro_comp_id": 771, "tar_path": "JAK1_P23458.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "JAK1_P23458_92_lig_smina_out.mol2", "protac_path": "771_protac.mol2", "smiles": "COC1=CC(C2=CN=C3C=CC=C(C4=CC(F)=C(CN5CCS(=O)(=O)CC5)C(F)=C4)C3=N2)=CC=C1OCCCN1CCN(CCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": -1}, "1198": {"pro_comp_id": 771, "tar_path": "JAK2_O60674.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "JAK2_O60674_92_lig_smina_out.mol2", "protac_path": "771_protac.mol2", "smiles": "COC1=CC(C2=CN=C3C=CC=C(C4=CC(F)=C(CN5CCS(=O)(=O)CC5)C(F)=C4)C3=N2)=CC=C1OCCCN1CCN(CCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": -1}, "1199": {"pro_comp_id": 772, "tar_path": "JAK1_P23458.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "JAK1_P23458_92_lig_smina_out.mol2", "protac_path": "772_protac.mol2", "smiles": "COC1=CC(C2=CN=C3C=CC=C(C4=CC(F)=C(CN5CCS(=O)(=O)CC5)C(F)=C4)C3=N2)=CC=C1OCCCN1CCN(CCCCCCCCCC(=O)NC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)CC1", "label": 0}, "1200": {"pro_comp_id": 772, "tar_path": "JAK2_O60674.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "JAK2_O60674_92_lig_smina_out.mol2", "protac_path": "772_protac.mol2", "smiles": "COC1=CC(C2=CN=C3C=CC=C(C4=CC(F)=C(CN5CCS(=O)(=O)CC5)C(F)=C4)C3=N2)=CC=C1OCCCN1CCN(CCCCCCCCCC(=O)NC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)CC1", "label": 0}, "1201": {"pro_comp_id": 773, "tar_path": "JAK1_P23458.pdb", "e3_ligase_path": "XIAP_P98170.pdb", "e3_lig_path": "XIAP_P98170_40_lig_smina_out.mol2", "war_path": "JAK1_P23458_92_lig_smina_out.mol2", "protac_path": "773_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)COCCOCCOCCOCCN2CCN(CCCOC3=CC=C(C4=CN=C5C=CC=C(C6=CC(F)=C(CN7CCS(=O)(=O)CC7)C(F)=C6)C5=N4)C=C3OC)CC2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "1202": {"pro_comp_id": 773, "tar_path": "JAK2_O60674.pdb", "e3_ligase_path": "XIAP_P98170.pdb", "e3_lig_path": "XIAP_P98170_40_lig_smina_out.mol2", "war_path": "JAK2_O60674_92_lig_smina_out.mol2", "protac_path": "773_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)COCCOCCOCCOCCN2CCN(CCCOC3=CC=C(C4=CN=C5C=CC=C(C6=CC(F)=C(CN7CCS(=O)(=O)CC7)C(F)=C6)C5=N4)C=C3OC)CC2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "1203": {"pro_comp_id": 774, "tar_path": "JAK1_P23458.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "JAK1_P23458_92_lig_smina_out.mol2", "protac_path": "774_protac.mol2", "smiles": "COC1=CC(C2=CN=C3C=CC=C(C4=CC(F)=C(CN5CCS(=O)(=O)CC5)C(F)=C4)C3=N2)=CC=C1OCCCN1CCN(CCOCCOCCOCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": 0}, "1204": {"pro_comp_id": 774, "tar_path": "JAK2_O60674.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "JAK2_O60674_92_lig_smina_out.mol2", "protac_path": "774_protac.mol2", "smiles": "COC1=CC(C2=CN=C3C=CC=C(C4=CC(F)=C(CN5CCS(=O)(=O)CC5)C(F)=C4)C3=N2)=CC=C1OCCCN1CCN(CCOCCOCCOCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": 0}, "1205": {"pro_comp_id": 775, "tar_path": "JAK1_P23458.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "JAK1_P23458_92_lig_smina_out.mol2", "protac_path": "775_protac.mol2", "smiles": "COC1=CC(C2=CN=C3C=CC=C(C4=CC(F)=C(CN5CCS(=O)(=O)CC5)C(F)=C4)C3=N2)=CC=C1OCCCN1CCN(CCOCCOCCOCCOCC(=O)NC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)CC1", "label": 0}, "1206": {"pro_comp_id": 775, "tar_path": "JAK2_O60674.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "JAK2_O60674_92_lig_smina_out.mol2", "protac_path": "775_protac.mol2", "smiles": "COC1=CC(C2=CN=C3C=CC=C(C4=CC(F)=C(CN5CCS(=O)(=O)CC5)C(F)=C4)C3=N2)=CC=C1OCCCN1CCN(CCOCCOCCOCCOCC(=O)NC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)CC1", "label": 0}, "1207": {"pro_comp_id": 776, "tar_path": "JAK1_P23458.pdb", "e3_ligase_path": "XIAP_P98170.pdb", "e3_lig_path": "XIAP_P98170_40_lig_smina_out.mol2", "war_path": "JAK1_P23458_92_lig_smina_out.mol2", "protac_path": "776_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)COCCOCCOCCOCCOCCOCCN2CCN(CCCOC3=CC=C(C4=CN=C5C=CC=C(C6=CC(F)=C(CN7CCS(=O)(=O)CC7)C(F)=C6)C5=N4)C=C3OC)CC2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "1208": {"pro_comp_id": 776, "tar_path": "JAK2_O60674.pdb", "e3_ligase_path": "XIAP_P98170.pdb", "e3_lig_path": "XIAP_P98170_40_lig_smina_out.mol2", "war_path": "JAK2_O60674_92_lig_smina_out.mol2", "protac_path": "776_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)COCCOCCOCCOCCOCCOCCN2CCN(CCCOC3=CC=C(C4=CN=C5C=CC=C(C6=CC(F)=C(CN7CCS(=O)(=O)CC7)C(F)=C6)C5=N4)C=C3OC)CC2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "1209": {"pro_comp_id": 777, "tar_path": "JAK1_P23458.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "JAK1_P23458_92_lig_smina_out.mol2", "protac_path": "777_protac.mol2", "smiles": "COC1=CC(C2=CN=C3C=CC=C(C4=CC(F)=C(CN5CCS(=O)(=O)CC5)C(F)=C4)C3=N2)=CC=C1OCCCN1CCN(CCOCCOCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": -1}, "1210": {"pro_comp_id": 777, "tar_path": "JAK2_O60674.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "JAK2_O60674_92_lig_smina_out.mol2", "protac_path": "777_protac.mol2", "smiles": "COC1=CC(C2=CN=C3C=CC=C(C4=CC(F)=C(CN5CCS(=O)(=O)CC5)C(F)=C4)C3=N2)=CC=C1OCCCN1CCN(CCOCCOCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": -1}, "1211": {"pro_comp_id": 778, "tar_path": "JAK1_P23458.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "JAK1_P23458_92_lig_smina_out.mol2", "protac_path": "778_protac.mol2", "smiles": "COC1=CC(C2=CN=C3C=CC=C(C4=CC(F)=C(CN5CCS(=O)(=O)CC5)C(F)=C4)C3=N2)=CC=C1OCCCN1CCN(CCOCCOCCOCCOCCOCCOCC(=O)NC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "1212": {"pro_comp_id": 778, "tar_path": "JAK2_O60674.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "JAK2_O60674_92_lig_smina_out.mol2", "protac_path": "778_protac.mol2", "smiles": "COC1=CC(C2=CN=C3C=CC=C(C4=CC(F)=C(CN5CCS(=O)(=O)CC5)C(F)=C4)C3=N2)=CC=C1OCCCN1CCN(CCOCCOCCOCCOCCOCCOCC(=O)NC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "1213": {"pro_comp_id": 779, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_93_lig_smina_out.mol2", "protac_path": "779_protac.mol2", "smiles": "CC1=NOC(C)=C1C1=CC=C2C(=C1)C(C1=CC=CC=C1)N(CC(=O)NCCC(=O)NC1=CC=CC3=C1CN(C1CCC(=O)NC1=O)C3=O)C(=O)N2C", "label": -1}, "1214": {"pro_comp_id": 780, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_93_lig_smina_out.mol2", "protac_path": "780_protac.mol2", "smiles": "CC1=NOC(C)=C1C1=CC=C2C(=C1)C(C1=CC=CC=C1)N(CC(=O)NCCCC(=O)NC1=CC=CC3=C1CN(C1CCC(=O)NC1=O)C3=O)C(=O)N2C", "label": -1}, "1215": {"pro_comp_id": 781, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_93_lig_smina_out.mol2", "protac_path": "781_protac.mol2", "smiles": "CC1=NOC(C)=C1C1=CC=C2C(=C1)C(C1=CC=CC=C1)N(CC(=O)NCCCCC(=O)NC1=CC=CC3=C1CN(C1CCC(=O)NC1=O)C3=O)C(=O)N2C", "label": -1}, "1216": {"pro_comp_id": 782, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_93_lig_smina_out.mol2", "protac_path": "782_protac.mol2", "smiles": "CC1=NOC(C)=C1C1=CC=C2C(=C1)C(C1=CC=CC=C1)N(CC(=O)NCCCCCC(=O)NC1=CC=CC3=C1CN(C1CCC(=O)NC1=O)C3=O)C(=O)N2C", "label": -1}, "1217": {"pro_comp_id": 783, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_93_lig_smina_out.mol2", "protac_path": "783_protac.mol2", "smiles": "CC1=NOC(C)=C1C1=CC=C2C(=C1)C(C1=CC=CC=C1)N(CC(=O)NCCCCCCC(=O)NC1=CC=CC3=C1CN(C1CCC(=O)NC1=O)C3=O)C(=O)N2C", "label": -1}, "1218": {"pro_comp_id": 784, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_93_lig_smina_out.mol2", "protac_path": "784_protac.mol2", "smiles": "CC1=NOC(C)=C1C1=CC=C2C(=C1)C(C1=CC=CC=C1)N(CC(=O)NCCCCCCCC(=O)NC1=CC=CC3=C1CN(C1CCC(=O)NC1=O)C3=O)C(=O)N2C", "label": -1}, "1219": {"pro_comp_id": 785, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_93_lig_smina_out.mol2", "protac_path": "785_protac.mol2", "smiles": "CC1=NOC(C)=C1C1=CC=C2C(=C1)C(C1=CC=CC=C1)N(CCCCC(=O)NC1=CC=CC3=C1CN(C1CCC(=O)NC1=O)C3=O)C(=O)N2C", "label": -1}, "1220": {"pro_comp_id": 786, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_93_lig_smina_out.mol2", "protac_path": "786_protac.mol2", "smiles": "CC1=NOC(C)=C1C1=CC=C2C(=C1)C(C1=CC=CC=C1)N(CCCCCC(=O)NC1=CC=CC3=C1CN(C1CCC(=O)NC1=O)C3=O)C(=O)N2C", "label": -1}, "1221": {"pro_comp_id": 787, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_93_lig_smina_out.mol2", "protac_path": "787_protac.mol2", "smiles": "CC1=NOC(C)=C1C1=CC=C2C(=C1)C(C1=CC=CC=C1)N(CCCCCCC(=O)NC1=CC=CC3=C1CN(C1CCC(=O)NC1=O)C3=O)C(=O)N2C", "label": -1}, "1222": {"pro_comp_id": 788, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_93_lig_smina_out.mol2", "protac_path": "788_protac.mol2", "smiles": "CC1=NOC(C)=C1C1=CC=C2C(=C1)C(C1=CC=CC=C1)N(CC1=CN(CCOCC(=O)NC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)N=N1)C(=O)N2C", "label": -1}, "1223": {"pro_comp_id": 789, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_93_lig_smina_out.mol2", "protac_path": "789_protac.mol2", "smiles": "CC1=NOC(C)=C1C1=CC=C2C(=C1)C(C1=CC=CC=C1)N(CC1=CN(CCOCCOCC(=O)NC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)N=N1)C(=O)N2C", "label": -1}, "1224": {"pro_comp_id": 790, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_93_lig_smina_out.mol2", "protac_path": "790_protac.mol2", "smiles": "CC1=NOC(C)=C1C1=CC=C2C(=C1)C(C1=CC=CC=C1)N(CC1=CN(CCOCCOCCOCC(=O)NC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)N=N1)C(=O)N2C", "label": -1}, "1225": {"pro_comp_id": 791, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_93_lig_smina_out.mol2", "protac_path": "791_protac.mol2", "smiles": "CC1=NOC(C)=C1C1=CC=C2C(=C1)C(C1=CC=CC=C1)N(CC1=CN(CCOCCOCCOCCOCC(=O)NC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)N=N1)C(=O)N2C", "label": -1}, "1226": {"pro_comp_id": 792, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_93_lig_smina_out.mol2", "protac_path": "792_protac.mol2", "smiles": "CC1=NOC(C)=C1C1=CC=C2C(=C1)C(C1=CC=CC=C1)N(CC1=CN(CCOCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N1)C(=O)N2C", "label": -1}, "1227": {"pro_comp_id": 793, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_93_lig_smina_out.mol2", "protac_path": "793_protac.mol2", "smiles": "CC1=NOC(C)=C1C1=CC=C2C(=C1)C(C1=CC=CC=C1)N(CC1=CN(CCOCCOCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N1)C(=O)N2C", "label": -1}, "1228": {"pro_comp_id": 794, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_93_lig_smina_out.mol2", "protac_path": "794_protac.mol2", "smiles": "CC1=NOC(C)=C1C1=CC=C2C(=C1)C(C1=CC=CC=C1)N(CC1=CN(CCOCCOCCOCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N1)C(=O)N2C", "label": -1}, "1229": {"pro_comp_id": 795, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_93_lig_smina_out.mol2", "protac_path": "795_protac.mol2", "smiles": "CC1=NOC(C)=C1C1=CC=C2C(=C1)C(C1=CC=CC=C1)N(CC1=CN(CCOCCOCCOCCOCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N1)C(=O)N2C", "label": -1}, "1230": {"pro_comp_id": 796, "tar_path": "PBRM1_Q86U86.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "PBRM1_Q86U86_94_lig_smina_out.mol2", "protac_path": "796_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCOCCOCCN3CCN(C4=CC(C5=CC=CC=C5O)=NN=C4N)CC3)=C2)SC=N1", "label": -1}, "1231": {"pro_comp_id": 796, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_94_lig_smina_out.mol2", "protac_path": "796_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCOCCOCCN3CCN(C4=CC(C5=CC=CC=C5O)=NN=C4N)CC3)=C2)SC=N1", "label": 0}, "1232": {"pro_comp_id": 796, "tar_path": "SMARCA4_P51532.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "SMARCA4_P51532_94_lig_smina_out.mol2", "protac_path": "796_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCOCCOCCN3CCN(C4=CC(C5=CC=CC=C5O)=NN=C4N)CC3)=C2)SC=N1", "label": 0}, "1233": {"pro_comp_id": 797, "tar_path": "PBRM1_Q86U86.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "PBRM1_Q86U86_94_lig_smina_out.mol2", "protac_path": "797_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCC3=CC=C(CN4CCN(C5=CC(C6=CC=CC=C6O)=NN=C5N)CC4)C=C3)=C2)SC=N1", "label": -1}, "1234": {"pro_comp_id": 797, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_94_lig_smina_out.mol2", "protac_path": "797_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCC3=CC=C(CN4CCN(C5=CC(C6=CC=CC=C6O)=NN=C5N)CC4)C=C3)=C2)SC=N1", "label": -1}, "1235": {"pro_comp_id": 797, "tar_path": "SMARCA4_P51532.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "SMARCA4_P51532_94_lig_smina_out.mol2", "protac_path": "797_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCC3=CC=C(CN4CCN(C5=CC(C6=CC=CC=C6O)=NN=C5N)CC4)C=C3)=C2)SC=N1", "label": -1}, "1236": {"pro_comp_id": 797, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_94_lig_smina_out.mol2", "protac_path": "797_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCC3=CC=C(CN4CCN(C5=CC(C6=CC=CC=C6O)=NN=C5N)CC4)C=C3)=C2)SC=N1", "label": -1}, "1237": {"pro_comp_id": 798, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_94_lig_smina_out.mol2", "protac_path": "798_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCOC3=CC=C(CN4CCN(C5=CC(C6=CC=CC=C6O)=NN=C5N)CC4)C=C3)=C2)SC=N1", "label": 1}, "1238": {"pro_comp_id": 798, "tar_path": "SMARCA4_P51532.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "SMARCA4_P51532_94_lig_smina_out.mol2", "protac_path": "798_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCOC3=CC=C(CN4CCN(C5=CC(C6=CC=CC=C6O)=NN=C5N)CC4)C=C3)=C2)SC=N1", "label": 1}, "1239": {"pro_comp_id": 798, "tar_path": "PBRM1_Q86U86.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "PBRM1_Q86U86_94_lig_smina_out.mol2", "protac_path": "798_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCOC3=CC=C(CN4CCN(C5=CC(C6=CC=CC=C6O)=NN=C5N)CC4)C=C3)=C2)SC=N1", "label": 1}, "1240": {"pro_comp_id": 799, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK9_P50750_95_lig_smina_out.mol2", "protac_path": "799_protac.mol2", "smiles": "CC(C)(C)C1=CN=C(CSC2=CN=C(NC(=O)C3CCN(CC(=O)NCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)S2)O1", "label": -1}, "1241": {"pro_comp_id": 800, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK9_P50750_96_lig_smina_out.mol2", "protac_path": "800_protac.mol2", "smiles": "N#CC1(CNC2=CC=CC(C3=CC(N[C@H]4CC[C@H](NCC(=O)NCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=NC=C3Cl)=N2)CCOCC1", "label": -1}, "1242": {"pro_comp_id": 801, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK9_P50750_96_lig_smina_out.mol2", "protac_path": "801_protac.mol2", "smiles": "N#CC1(CNC2=CC=CC(C3=CC(N[C@H]4CC[C@H](NCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=NC=C3Cl)=N2)CCOCC1", "label": -1}, "1243": {"pro_comp_id": 802, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK9_P50750_96_lig_smina_out.mol2", "protac_path": "802_protac.mol2", "smiles": "N#CC1(CNC2=CC=CC(C3=CC(N[C@H]4CC[C@H](NCCCCCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=NC=C3Cl)=N2)CCOCC1", "label": -1}, "1244": {"pro_comp_id": 803, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_96_lig_smina_out.mol2", "protac_path": "803_protac.mol2", "smiles": "N#CC1(CNC2=CC=CC(C3=CC(N[C@H]4CC[C@H](NCCCC(=O)NCCCCOC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)=NC=C3Cl)=N2)CCOCC1", "label": -1}, "1245": {"pro_comp_id": 804, "tar_path": "FKBP12_P62942.pdb", "e3_ligase_path": "DCAF16_Q9NXF7.pdb", "e3_lig_path": "DCAF16_Q9NXF7_41_lig_smina_out.mol2", "war_path": "FKBP12_P62942_50_lig_smina_out.mol2", "protac_path": "804_protac.mol2", "smiles": "CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCC1=CC=C(OC)C(OC)=C1)C1=CC=CC(NC(=O)CCOCCOCCNC(=O)COC2=CC=C3C(=C2)CCCN3C(=O)CCl)=C1", "label": -1}, "1246": {"pro_comp_id": 805, "tar_path": "FKBP12_P62942.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FKBP12_P62942_50_lig_smina_out.mol2", "protac_path": "805_protac.mol2", "smiles": "CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCC1=CC=C(OC)C(OC)=C1)C1=CC=CC(NC(=O)CCCC(=O)NCCCCC(=O)NC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=C1", "label": -1}, "1247": {"pro_comp_id": 806, "tar_path": "FKBP12_P62942.pdb", "e3_ligase_path": "DCAF16_Q9NXF7.pdb", "e3_lig_path": "DCAF16_Q9NXF7_41_lig_smina_out.mol2", "war_path": "FKBP12_P62942_50_lig_smina_out.mol2", "protac_path": "806_protac.mol2", "smiles": "CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCC1=CC=C(OC)C(OC)=C1)C1=CC=CC(NC(=O)COC2=CC=C3C(=C2)CCCN3C(=O)CCl)=C1", "label": -1}, "1248": {"pro_comp_id": 807, "tar_path": "FKBP12_P62942.pdb", "e3_ligase_path": "DCAF16_Q9NXF7.pdb", "e3_lig_path": "DCAF16_Q9NXF7_41_lig_smina_out.mol2", "war_path": "FKBP12_P62942_50_lig_smina_out.mol2", "protac_path": "807_protac.mol2", "smiles": "CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCC1=CC=C(OC)C(OC)=C1)C1=CC=CC(NC(=O)CCOCCOCCOCCOCCNC(=O)COC2=CC=C3C(=C2)CCCN3C(=O)CCl)=C1", "label": -1}, "1249": {"pro_comp_id": 808, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "DCAF16_Q9NXF7.pdb", "e3_lig_path": "DCAF16_Q9NXF7_41_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "808_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCOCCOCCNC(=O)COC1=CC=C3C(=C1)CCCN3C(=O)CCl)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "1250": {"pro_comp_id": 809, "tar_path": "IRAK4_Q9NWZ3.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "IRAK4_Q9NWZ3_98_lig_smina_out.mol2", "protac_path": "809_protac.mol2", "smiles": "COC1=CC2=C(OC[C@@H]3CCC(=O)N3)N=CC(C#CCOCCOCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2C=C1C(N)=O", "label": 0}, "1251": {"pro_comp_id": 810, "tar_path": "IRAK4_Q9NWZ3.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "IRAK4_Q9NWZ3_98_lig_smina_out.mol2", "protac_path": "810_protac.mol2", "smiles": "COC1=CC2=C(OC[C@@H]3CCC(=O)N3)N=CC(C#CCCCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2C=C1C(N)=O", "label": 0}, "1252": {"pro_comp_id": 811, "tar_path": "IRAK4_Q9NWZ3.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IRAK4_Q9NWZ3_98_lig_smina_out.mol2", "protac_path": "811_protac.mol2", "smiles": "COC1=CC2=C(OC[C@@H]3CCC(=O)N3)N=CC(C#CCOCCOCCOCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2C=C1C(N)=O", "label": 0}, "1253": {"pro_comp_id": 812, "tar_path": "IRAK4_Q9NWZ3.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IRAK4_Q9NWZ3_98_lig_smina_out.mol2", "protac_path": "812_protac.mol2", "smiles": "COC1=CC2=C(OC[C@@H]3CCC(=O)N3)N=CC(C#CCCCCCCCCCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2C=C1C(N)=O", "label": 0}, "1254": {"pro_comp_id": 813, "tar_path": "IRAK4_Q9NWZ3.pdb", "e3_ligase_path": "XIAP_P98170.pdb", "e3_lig_path": "XIAP_P98170_40_lig_smina_out.mol2", "war_path": "IRAK4_Q9NWZ3_98_lig_smina_out.mol2", "protac_path": "813_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)CCOCCOCCOCC#CC2=CN=C(OC[C@@H]3CCC(=O)N3)C3=CC(OC)=C(C(N)=O)C=C23)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": 0}, "1255": {"pro_comp_id": 814, "tar_path": "IRAK4_Q9NWZ3.pdb", "e3_ligase_path": "XIAP_P98170.pdb", "e3_lig_path": "XIAP_P98170_40_lig_smina_out.mol2", "war_path": "IRAK4_Q9NWZ3_98_lig_smina_out.mol2", "protac_path": "814_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)CCCCCCCCCCC#CC2=CN=C(OC[C@@H]3CCC(=O)N3)C3=CC(OC)=C(C(N)=O)C=C23)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": 0}, "1256": {"pro_comp_id": 815, "tar_path": "IRAK4_Q9NWZ3.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "IRAK4_Q9NWZ3_97_lig_smina_out.mol2", "protac_path": "815_protac.mol2", "smiles": "CC[C@H]1[C@@H](COC2=NC=C(C#CCCCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C3=CC(C(N)=O)=C(OC)C=C23)NC(=O)[C@H]1F", "label": 0}, "1257": {"pro_comp_id": 816, "tar_path": "IRAK4_Q9NWZ3.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "IRAK4_Q9NWZ3_97_lig_smina_out.mol2", "protac_path": "816_protac.mol2", "smiles": "CC[C@H]1[C@@H](COC2=NC=C(C#CCN3CCC4(CC3)CCN(C3=NC=C(C(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)C=N3)CC4)C3=CC(C(N)=O)=C(OC)C=C23)NC(=O)[C@H]1F", "label": 1}, "1258": {"pro_comp_id": 817, "tar_path": "PLK1_P53350.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PLK1_P53350_99_lig_smina_out.mol2", "protac_path": "817_protac.mol2", "smiles": "CC[C@@H]1C(=O)N(C)C2=CN=C(NC3=CC=C(C(=O)NCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3OC)N=C2N1C1CCCC1", "label": 1}, "1259": {"pro_comp_id": 817, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_99_lig_smina_out.mol2", "protac_path": "817_protac.mol2", "smiles": "CC[C@@H]1C(=O)N(C)C2=CN=C(NC3=CC=C(C(=O)NCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3OC)N=C2N1C1CCCC1", "label": 1}, "1260": {"pro_comp_id": 818, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_99_lig_smina_out.mol2", "protac_path": "818_protac.mol2", "smiles": "CC[C@@H]1C(=O)N(C)C2=CN=C(NC3=CC=C(C(=O)NCCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3OC)N=C2N1C1CCCC1", "label": -1}, "1261": {"pro_comp_id": 818, "tar_path": "PLK1_P53350.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PLK1_P53350_99_lig_smina_out.mol2", "protac_path": "818_protac.mol2", "smiles": "CC[C@@H]1C(=O)N(C)C2=CN=C(NC3=CC=C(C(=O)NCCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3OC)N=C2N1C1CCCC1", "label": -1}, "1262": {"pro_comp_id": 819, "tar_path": "CRABP-I_P29762.pdb", "e3_ligase_path": "AhR_P35869.pdb", "e3_lig_path": "AhR_P35869_42_lig_smina_out.mol2", "war_path": "CRABP-I_P29762_82_lig_smina_out.mol2", "protac_path": "819_protac.mol2", "smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CC/C1=N\\OCC(=O)NCCOCCOCCOCC1=CC=C(C2=CC(=O)C3=C(C=CC4=CC=CC=C43)O2)C=C1", "label": -1}, "1263": {"pro_comp_id": 819, "tar_path": "CRABP-II_P29373.pdb", "e3_ligase_path": "AhR_P35869.pdb", "e3_lig_path": "AhR_P35869_42_lig_smina_out.mol2", "war_path": "CRABP-II_P29373_82_lig_smina_out.mol2", "protac_path": "819_protac.mol2", "smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CC/C1=N\\OCC(=O)NCCOCCOCCOCC1=CC=C(C2=CC(=O)C3=C(C=CC4=CC=CC=C43)O2)C=C1", "label": -1}, "1264": {"pro_comp_id": 820, "tar_path": "CRABP-I_P29762.pdb", "e3_ligase_path": "AhR_P35869.pdb", "e3_lig_path": "AhR_P35869_43_lig_smina_out.mol2", "war_path": "CRABP-I_P29762_82_lig_smina_out.mol2", "protac_path": "820_protac.mol2", "smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CC/C1=N\\OCC(=O)NCCOCCOCCOCC1=CC=C(C2=CC(=O)C3=CC=C4C=CC=CC4=C3O2)C=C1", "label": -1}, "1265": {"pro_comp_id": 820, "tar_path": "CRABP-II_P29373.pdb", "e3_ligase_path": "AhR_P35869.pdb", "e3_lig_path": "AhR_P35869_43_lig_smina_out.mol2", "war_path": "CRABP-II_P29373_82_lig_smina_out.mol2", "protac_path": "820_protac.mol2", "smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CC/C1=N\\OCC(=O)NCCOCCOCCOCC1=CC=C(C2=CC(=O)C3=CC=C4C=CC=CC4=C3O2)C=C1", "label": -1}, "1266": {"pro_comp_id": 821, "tar_path": "CRABP-I_P29762.pdb", "e3_ligase_path": "AhR_P35869.pdb", "e3_lig_path": "AhR_P35869_44_lig_smina_out.mol2", "war_path": "CRABP-I_P29762_82_lig_smina_out.mol2", "protac_path": "821_protac.mol2", "smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CC/C1=N\\OCC(=O)NCCOCCOCCNC(=O)C1=CSC(C(=O)C2=C[NH]C3=CC=CC=C23)=N1", "label": -1}, "1267": {"pro_comp_id": 821, "tar_path": "CRABP-II_P29373.pdb", "e3_ligase_path": "AhR_P35869.pdb", "e3_lig_path": "AhR_P35869_44_lig_smina_out.mol2", "war_path": "CRABP-II_P29373_82_lig_smina_out.mol2", "protac_path": "821_protac.mol2", "smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CC/C1=N\\OCC(=O)NCCOCCOCCNC(=O)C1=CSC(C(=O)C2=C[NH]C3=CC=CC=C23)=N1", "label": -1}, "1268": {"pro_comp_id": 822, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "AhR_P35869.pdb", "e3_lig_path": "AhR_P35869_42_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "822_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCOCCOCCOCC1=CC=C(C3=CC(=O)C4=C(C=CC5=CC=CC=C54)O3)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "1269": {"pro_comp_id": 822, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "AhR_P35869.pdb", "e3_lig_path": "AhR_P35869_42_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "822_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCOCCOCCOCC1=CC=C(C3=CC(=O)C4=C(C=CC5=CC=CC=C54)O3)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "1270": {"pro_comp_id": 822, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "AhR_P35869.pdb", "e3_lig_path": "AhR_P35869_42_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "822_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCOCCOCCOCC1=CC=C(C3=CC(=O)C4=C(C=CC5=CC=CC=C54)O3)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "1271": {"pro_comp_id": 823, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "823_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COC3=CC=C(/C=N/NC(=O)C4=CC=C(C(=O)C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1272": {"pro_comp_id": 824, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "824_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCOC3=CC=C(/C=N/NC(=O)C4=CC=C(C(=O)C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1273": {"pro_comp_id": 825, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "825_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCOC3=CC=C(/C=N/NC(=O)C4=CC=C(C(=O)C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "1274": {"pro_comp_id": 826, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "826_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCOC3=CC=C(/C=N/NC(=O)C4=CC=C(C(=O)C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1275": {"pro_comp_id": 827, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "827_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCOC3=CC=C(/C=N/NC(=O)C4=CC=C(C(=O)C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1276": {"pro_comp_id": 828, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "828_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCOC3=CC=C(/C=N/NC(=O)C4=CC=C(C(=O)C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1277": {"pro_comp_id": 829, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "829_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOC3=CC=C(/C=N/NC(=O)C4=CC=C(C(=O)C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1278": {"pro_comp_id": 830, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "830_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOC3=CC=C(/C=N/NC(=O)C4=CC=C(C(=O)C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1279": {"pro_comp_id": 831, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "831_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOC3=CC=C(/C=N/NC(=O)C4=CC=C(C(=O)C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1280": {"pro_comp_id": 832, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "832_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOC3=CC=C(/C=N/NC(=O)C4=CC=C(C(=O)C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1281": {"pro_comp_id": 833, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "833_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCOC3=CC=C(/C=N/NC(=O)C4=CC=C(C(=O)C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1282": {"pro_comp_id": 834, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "834_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCOCCOC3=CC=C(/C=N/NC(=O)C4=CC=C(C(=O)C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1283": {"pro_comp_id": 835, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "835_protac.mol2", "smiles": "O=C(COC1=CC=C(/C=N/NC(=O)C2=CC=C(C(=O)C3=C(C4=CC=C(O)C=C4)SC4=CC(O)=CC=C34)C=C2)C=C1)NCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1284": {"pro_comp_id": 836, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "836_protac.mol2", "smiles": "O=C(CCCOC1=CC=C(/C=N/NC(=O)C2=CC=C(C(=O)C3=C(C4=CC=C(O)C=C4)SC4=CC(O)=CC=C34)C=C2)C=C1)NCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1285": {"pro_comp_id": 837, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "837_protac.mol2", "smiles": "O=C(CCCCOC1=CC=C(/C=N/NC(=O)C2=CC=C(C(=O)C3=C(C4=CC=C(O)C=C4)SC4=CC(O)=CC=C34)C=C2)C=C1)NCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1286": {"pro_comp_id": 838, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "838_protac.mol2", "smiles": "O=C(CCCCCOC1=CC=C(/C=N/NC(=O)C2=CC=C(C(=O)C3=C(C4=CC=C(O)C=C4)SC4=CC(O)=CC=C34)C=C2)C=C1)NCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1287": {"pro_comp_id": 839, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "839_protac.mol2", "smiles": "O=C(CCCCCCOC1=CC=C(/C=N/NC(=O)C2=CC=C(C(=O)C3=C(C4=CC=C(O)C=C4)SC4=CC(O)=CC=C34)C=C2)C=C1)NCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1288": {"pro_comp_id": 840, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "840_protac.mol2", "smiles": "O=C(CCCCCCCOC1=CC=C(/C=N/NC(=O)C2=CC=C(C(=O)C3=C(C4=CC=C(O)C=C4)SC4=CC(O)=CC=C34)C=C2)C=C1)NCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1289": {"pro_comp_id": 841, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "841_protac.mol2", "smiles": "O=C(COCCOC1=CC=C(/C=N/NC(=O)C2=CC=C(C(=O)C3=C(C4=CC=C(O)C=C4)SC4=CC(O)=CC=C34)C=C2)C=C1)NCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1290": {"pro_comp_id": 842, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "842_protac.mol2", "smiles": "O=C(COCCOCCOC1=CC=C(/C=N/NC(=O)C2=CC=C(C(=O)C3=C(C4=CC=C(O)C=C4)SC4=CC(O)=CC=C34)C=C2)C=C1)NCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1291": {"pro_comp_id": 843, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "843_protac.mol2", "smiles": "O=C(COCCOCCOCCOC1=CC=C(/C=N/NC(=O)C2=CC=C(C(=O)C3=C(C4=CC=C(O)C=C4)SC4=CC(O)=CC=C34)C=C2)C=C1)NCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1292": {"pro_comp_id": 844, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "844_protac.mol2", "smiles": "O=C(COCCOCCOCCOCCOC1=CC=C(/C=N/NC(=O)C2=CC=C(C(=O)C3=C(C4=CC=C(O)C=C4)SC4=CC(O)=CC=C34)C=C2)C=C1)NCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1293": {"pro_comp_id": 845, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "845_protac.mol2", "smiles": "O=C(COCCOCCOCCOCCOCCOC1=CC=C(/C=N/NC(=O)C2=CC=C(C(=O)C3=C(C4=CC=C(O)C=C4)SC4=CC(O)=CC=C34)C=C2)C=C1)NCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1294": {"pro_comp_id": 846, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "846_protac.mol2", "smiles": "O=C(COCCOCCOCCOCCOCCOCCOC1=CC=C(/C=N/NC(=O)C2=CC=C(C(=O)C3=C(C4=CC=C(O)C=C4)SC4=CC(O)=CC=C34)C=C2)C=C1)NCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1295": {"pro_comp_id": 847, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "847_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COC3=CC=C(/C=N/NC(=O)C4=CC=C(C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1296": {"pro_comp_id": 848, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "848_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCOC3=CC=C(/C=N/NC(=O)C4=CC=C(C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1297": {"pro_comp_id": 849, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "849_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCOC3=CC=C(/C=N/NC(=O)C4=CC=C(C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1298": {"pro_comp_id": 850, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "850_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCOC3=CC=C(/C=N/NC(=O)C4=CC=C(C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1299": {"pro_comp_id": 851, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "851_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCOC3=CC=C(/C=N/NC(=O)C4=CC=C(C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1300": {"pro_comp_id": 852, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "852_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCOC3=CC=C(/C=N/NC(=O)C4=CC=C(C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1301": {"pro_comp_id": 853, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "853_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOC3=CC=C(/C=N/NC(=O)C4=CC=C(C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1302": {"pro_comp_id": 854, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "854_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOC3=CC=C(/C=N/NC(=O)C4=CC=C(C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1303": {"pro_comp_id": 855, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "855_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOC3=CC=C(/C=N/NC(=O)C4=CC=C(C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1304": {"pro_comp_id": 856, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "856_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOC3=CC=C(/C=N/NC(=O)C4=CC=C(C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1305": {"pro_comp_id": 857, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "857_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCOC3=CC=C(/C=N/NC(=O)C4=CC=C(C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1306": {"pro_comp_id": 858, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "858_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCOCCOC3=CC=C(/C=N/NC(=O)C4=CC=C(C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1307": {"pro_comp_id": 859, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "859_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COC3=CC=C(/C=N/NC(=O)C4=CC=C(OC5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1308": {"pro_comp_id": 860, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "860_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCOC3=CC=C(/C=N/NC(=O)C4=CC=C(OC5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "1309": {"pro_comp_id": 861, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "861_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCOC3=CC=C(/C=N/NC(=O)C4=CC=C(OC5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1310": {"pro_comp_id": 862, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "862_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCOC3=CC=C(/C=N/NC(=O)C4=CC=C(OC5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1311": {"pro_comp_id": 863, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "863_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCOC3=CC=C(/C=N/NC(=O)C4=CC=C(OC5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1312": {"pro_comp_id": 864, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "864_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCOC3=CC=C(/C=N/NC(=O)C4=CC=C(OC5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1313": {"pro_comp_id": 865, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "865_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOC3=CC=C(/C=N/NC(=O)C4=CC=C(OC5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1314": {"pro_comp_id": 866, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "866_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOC3=CC=C(/C=N/NC(=O)C4=CC=C(OC5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1315": {"pro_comp_id": 867, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "867_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOC3=CC=C(/C=N/NC(=O)C4=CC=C(OC5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1316": {"pro_comp_id": 868, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "868_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOC3=CC=C(/C=N/NC(=O)C4=CC=C(OC5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1317": {"pro_comp_id": 869, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "869_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCOC3=CC=C(/C=N/NC(=O)C4=CC=C(OC5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1318": {"pro_comp_id": 870, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "870_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCOCCOC3=CC=C(/C=N/NC(=O)C4=CC=C(OC5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1319": {"pro_comp_id": 871, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "871_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COC3=CC=C(/C=N/NC(=O)C4=CC=CC(C(=O)C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1320": {"pro_comp_id": 872, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "872_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCOC3=CC=C(/C=N/NC(=O)C4=CC=CC(C(=O)C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1321": {"pro_comp_id": 873, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "873_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCOC3=CC=C(/C=N/NC(=O)C4=CC=CC(C(=O)C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1322": {"pro_comp_id": 874, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "874_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCOC3=CC=C(/C=N/NC(=O)C4=CC=CC(C(=O)C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1323": {"pro_comp_id": 875, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "875_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCOC3=CC=C(/C=N/NC(=O)C4=CC=CC(C(=O)C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1324": {"pro_comp_id": 876, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "876_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCOC3=CC=C(/C=N/NC(=O)C4=CC=CC(C(=O)C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1325": {"pro_comp_id": 877, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "877_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOC3=CC=C(/C=N/NC(=O)C4=CC=CC(C(=O)C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1326": {"pro_comp_id": 878, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "878_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOC3=CC=C(/C=N/NC(=O)C4=CC=CC(C(=O)C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1327": {"pro_comp_id": 879, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "879_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOC3=CC=C(/C=N/NC(=O)C4=CC=CC(C(=O)C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1328": {"pro_comp_id": 880, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "880_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOC3=CC=C(/C=N/NC(=O)C4=CC=CC(C(=O)C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1329": {"pro_comp_id": 881, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "881_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCOC3=CC=C(/C=N/NC(=O)C4=CC=CC(C(=O)C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1330": {"pro_comp_id": 882, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "882_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCOCCOC3=CC=C(/C=N/NC(=O)C4=CC=CC(C(=O)C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1331": {"pro_comp_id": 883, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "883_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COC3=CC=C(/C=N/NC(=O)C4=CC=CC(C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1332": {"pro_comp_id": 884, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "884_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCOC3=CC=C(/C=N/NC(=O)C4=CC=CC(C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1333": {"pro_comp_id": 885, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "885_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCOC3=CC=C(/C=N/NC(=O)C4=CC=CC(C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1334": {"pro_comp_id": 886, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "886_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCOC3=CC=C(/C=N/NC(=O)C4=CC=CC(C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1335": {"pro_comp_id": 887, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "887_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCOC3=CC=C(/C=N/NC(=O)C4=CC=CC(C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1336": {"pro_comp_id": 888, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "888_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCOC3=CC=C(/C=N/NC(=O)C4=CC=CC(C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1337": {"pro_comp_id": 889, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "889_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOC3=CC=C(/C=N/NC(=O)C4=CC=CC(C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1338": {"pro_comp_id": 890, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "890_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOC3=CC=C(/C=N/NC(=O)C4=CC=CC(C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1339": {"pro_comp_id": 891, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "891_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOC3=CC=C(/C=N/NC(=O)C4=CC=CC(C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1340": {"pro_comp_id": 892, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "892_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOC3=CC=C(/C=N/NC(=O)C4=CC=CC(C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1341": {"pro_comp_id": 893, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "893_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCOC3=CC=C(/C=N/NC(=O)C4=CC=CC(C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1342": {"pro_comp_id": 894, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "894_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCOCCOC3=CC=C(/C=N/NC(=O)C4=CC=CC(C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1343": {"pro_comp_id": 895, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "895_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COC3=CC=C(/C=N/NC(=O)C4=CC=CC(OC5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1344": {"pro_comp_id": 896, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "896_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCOC3=CC=C(/C=N/NC(=O)C4=CC=CC(OC5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1345": {"pro_comp_id": 897, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "897_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCOC3=CC=C(/C=N/NC(=O)C4=CC=CC(OC5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1346": {"pro_comp_id": 898, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "898_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCOC3=CC=C(/C=N/NC(=O)C4=CC=CC(OC5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1347": {"pro_comp_id": 899, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "899_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCOC3=CC=C(/C=N/NC(=O)C4=CC=CC(OC5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1348": {"pro_comp_id": 900, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "900_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCOC3=CC=C(/C=N/NC(=O)C4=CC=CC(OC5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1349": {"pro_comp_id": 901, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "901_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOC3=CC=C(/C=N/NC(=O)C4=CC=CC(OC5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1350": {"pro_comp_id": 902, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "902_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOC3=CC=C(/C=N/NC(=O)C4=CC=CC(OC5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1351": {"pro_comp_id": 903, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "903_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOC3=CC=C(/C=N/NC(=O)C4=CC=CC(OC5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1352": {"pro_comp_id": 904, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "904_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOC3=CC=C(/C=N/NC(=O)C4=CC=CC(OC5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1353": {"pro_comp_id": 905, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "905_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCOC3=CC=C(/C=N/NC(=O)C4=CC=CC(OC5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1354": {"pro_comp_id": 906, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "906_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCOCCOC3=CC=C(/C=N/NC(=O)C4=CC=CC(OC5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1355": {"pro_comp_id": 907, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "907_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COC3=CC=C(/C=N/NC(=O)C4=C(C5=CC=C(O)C=C5)SC5=CC(O)=CC=C45)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1356": {"pro_comp_id": 908, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "908_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCOC3=CC=C(/C=N/NC(=O)C4=C(C5=CC=C(O)C=C5)SC5=CC(O)=CC=C45)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1357": {"pro_comp_id": 909, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "909_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCOC3=CC=C(/C=N/NC(=O)C4=C(C5=CC=C(O)C=C5)SC5=CC(O)=CC=C45)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1358": {"pro_comp_id": 910, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "910_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCOC3=CC=C(/C=N/NC(=O)C4=C(C5=CC=C(O)C=C5)SC5=CC(O)=CC=C45)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1359": {"pro_comp_id": 911, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "911_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCOC3=CC=C(/C=N/NC(=O)C4=C(C5=CC=C(O)C=C5)SC5=CC(O)=CC=C45)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1360": {"pro_comp_id": 912, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "912_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCOC3=CC=C(/C=N/NC(=O)C4=C(C5=CC=C(O)C=C5)SC5=CC(O)=CC=C45)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1361": {"pro_comp_id": 913, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "913_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOC3=CC=C(/C=N/NC(=O)C4=C(C5=CC=C(O)C=C5)SC5=CC(O)=CC=C45)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1362": {"pro_comp_id": 914, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "914_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOC3=CC=C(/C=N/NC(=O)C4=C(C5=CC=C(O)C=C5)SC5=CC(O)=CC=C45)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1363": {"pro_comp_id": 915, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "915_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOC3=CC=C(/C=N/NC(=O)C4=C(C5=CC=C(O)C=C5)SC5=CC(O)=CC=C45)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1364": {"pro_comp_id": 916, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "916_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOC3=CC=C(/C=N/NC(=O)C4=C(C5=CC=C(O)C=C5)SC5=CC(O)=CC=C45)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1365": {"pro_comp_id": 917, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "917_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCOC3=CC=C(/C=N/NC(=O)C4=C(C5=CC=C(O)C=C5)SC5=CC(O)=CC=C45)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1366": {"pro_comp_id": 918, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "918_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCOCCOC3=CC=C(/C=N/NC(=O)C4=C(C5=CC=C(O)C=C5)SC5=CC(O)=CC=C45)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1367": {"pro_comp_id": 919, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "919_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCOC3=CC=C(CCNC(=O)C4=CC=C(C(=O)C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1368": {"pro_comp_id": 920, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "920_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCOC3=CC=C(CCNC(=O)C4=CC=C(C(=O)C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "1369": {"pro_comp_id": 921, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "921_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCOC3=CC=C(CCNC(=O)C4=CC=C(C(=O)C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1370": {"pro_comp_id": 922, "tar_path": "SGK3_Q96BR1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "SGK3_Q96BR1_101_lig_smina_out.mol2", "protac_path": "922_protac.mol2", "smiles": "CC1=CC=C(F)C(S(=O)(=O)NC2=CC=C(C3=NC(OC[C@H]4CN(CCOCCOCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CCO4)=C4C=N[NH]C4=N3)C=C2)=C1", "label": -1}, "1371": {"pro_comp_id": 923, "tar_path": "SGK3_Q96BR1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "SGK3_Q96BR1_100_lig_smina_out.mol2", "protac_path": "923_protac.mol2", "smiles": "COC1=CC=C(Cl)C(S(=O)(=O)NC2=CC=C(C3=NC(OC[C@H]4CN(CCOCCOCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CCO4)=C4C(C)=N[NH]C4=N3)C=C2)=C1", "label": -1}, "1372": {"pro_comp_id": 924, "tar_path": "SGK3_Q96BR1.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SGK3_Q96BR1_101_lig_smina_out.mol2", "protac_path": "924_protac.mol2", "smiles": "CC1=CC=C(F)C(S(=O)(=O)NC2=CC=C(C3=NC(OC[C@H]4CN(CCOCCOCCOCC(=O)NCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CCO4)=C4C=N[NH]C4=N3)C=C2)=C1", "label": -1}, "1373": {"pro_comp_id": 925, "tar_path": "SGK3_Q96BR1.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SGK3_Q96BR1_100_lig_smina_out.mol2", "protac_path": "925_protac.mol2", "smiles": "COC1=CC=C(Cl)C(S(=O)(=O)NC2=CC=C(C3=NC(OC[C@H]4CN(CCOCCOCCOCC(=O)NCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CCO4)=C4C(C)=N[NH]C4=N3)C=C2)=C1", "label": -1}, "1374": {"pro_comp_id": 926, "tar_path": "SGK3_Q96BR1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "SGK3_Q96BR1_101_lig_smina_out.mol2", "protac_path": "926_protac.mol2", "smiles": "CC1=CC=C(F)C(S(=O)(=O)NC2=CC=C(C3=NC(OC[C@H]4CN(CCOCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CCO4)=C4C=N[NH]C4=N3)C=C2)=C1", "label": -1}, "1375": {"pro_comp_id": 927, "tar_path": "SGK3_Q96BR1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "SGK3_Q96BR1_101_lig_smina_out.mol2", "protac_path": "927_protac.mol2", "smiles": "CC1=CC=C(F)C(S(=O)(=O)NC2=CC=C(C3=NC(OC[C@H]4CN(CCOCCOCCOCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CCO4)=C4C=N[NH]C4=N3)C=C2)=C1", "label": -1}, "1376": {"pro_comp_id": 928, "tar_path": "SGK3_Q96BR1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "SGK3_Q96BR1_101_lig_smina_out.mol2", "protac_path": "928_protac.mol2", "smiles": "CC1=CC=C(F)C(S(=O)(=O)NC2=CC=C(C3=NC(OC[C@H]4CN(CCOCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CCO4)=C4C=N[NH]C4=N3)C=C2)=C1", "label": -1}, "1377": {"pro_comp_id": 929, "tar_path": "SGK3_Q96BR1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "SGK3_Q96BR1_101_lig_smina_out.mol2", "protac_path": "929_protac.mol2", "smiles": "CC1=CC=C(F)C(S(=O)(=O)NC2=CC=C(C3=NC(OC[C@H]4CN(CCCCCCOCCOCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CCO4)=C4C=N[NH]C4=N3)C=C2)=C1", "label": -1}, "1378": {"pro_comp_id": 930, "tar_path": "SGK3_Q96BR1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "SGK3_Q96BR1_101_lig_smina_out.mol2", "protac_path": "930_protac.mol2", "smiles": "CC1=CC=C(F)C(S(=O)(=O)NC2=CC=C(C3=NC(OC[C@H]4CN(CCCCCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CCO4)=C4C=N[NH]C4=N3)C=C2)=C1", "label": -1}, "1379": {"pro_comp_id": 931, "tar_path": "SGK3_Q96BR1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "SGK3_Q96BR1_101_lig_smina_out.mol2", "protac_path": "931_protac.mol2", "smiles": "CC1=CC=C(F)C(S(=O)(=O)NC2=CC=C(C3=NC(OC[C@H]4CN(CCCCCCOCCCCCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CCO4)=C4C=N[NH]C4=N3)C=C2)=C1", "label": -1}, "1380": {"pro_comp_id": 932, "tar_path": "SGK3_Q96BR1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "SGK3_Q96BR1_100_lig_smina_out.mol2", "protac_path": "932_protac.mol2", "smiles": "COC1=CC=C(Cl)C(S(=O)(=O)NC2=CC=C(C3=NC(OC[C@H]4CN(CCCCCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CCO4)=C4C(C)=N[NH]C4=N3)C=C2)=C1", "label": -1}, "1381": {"pro_comp_id": 933, "tar_path": "SGK3_Q96BR1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "SGK3_Q96BR1_100_lig_smina_out.mol2", "protac_path": "933_protac.mol2", "smiles": "COC1=CC=C(Cl)C(S(=O)(=O)NC2=CC=C(C3=NC(OC[C@H]4CN(CCCCCCOCCCCCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CCO4)=C4C(C)=N[NH]C4=N3)C=C2)=C1", "label": -1}, "1382": {"pro_comp_id": 934, "tar_path": "EED_O75530.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EED_O75530_102_lig_smina_out.mol2", "protac_path": "934_protac.mol2", "smiles": "CC1=NC(CCC(=O)NCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1C1=CN=C(NCC2=C(F)C=CC3=C2CCO3)N2C=NN=C12", "label": -1}, "1385": {"pro_comp_id": 935, "tar_path": "EED_O75530.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EED_O75530_102_lig_smina_out.mol2", "protac_path": "935_protac.mol2", "smiles": "CC1=NC(CCC(=O)NCCOC2=CC=C(OCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C=C2)=CC=C1C1=CN=C(NCC2=C(F)C=CC3=C2CCO3)N2C=NN=C12", "label": -1}, "1388": {"pro_comp_id": 936, "tar_path": "EED_O75530.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EED_O75530_103_lig_smina_out.mol2", "protac_path": "936_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCNC(=O)C3=CC=C(C4=CN=C(NCC5=CC=CO5)N5C=NN=C45)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1389": {"pro_comp_id": 936, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_103_lig_smina_out.mol2", "protac_path": "936_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCNC(=O)C3=CC=C(C4=CN=C(NCC5=CC=CO5)N5C=NN=C45)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1391": {"pro_comp_id": 937, "tar_path": "EED_O75530.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EED_O75530_103_lig_smina_out.mol2", "protac_path": "937_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCNC(=O)C3=CC=C(C4=CN=C(NCC5=CC=CO5)N5C=NN=C45)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "1392": {"pro_comp_id": 937, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_103_lig_smina_out.mol2", "protac_path": "937_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCNC(=O)C3=CC=C(C4=CN=C(NCC5=CC=CO5)N5C=NN=C45)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "1394": {"pro_comp_id": 937, "tar_path": "EED_O75530.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EED_O75530_103_lig_smina_out.mol2", "protac_path": "937_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCNC(=O)C3=CC=C(C4=CN=C(NCC5=CC=CO5)N5C=NN=C45)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1395": {"pro_comp_id": 937, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_103_lig_smina_out.mol2", "protac_path": "937_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCNC(=O)C3=CC=C(C4=CN=C(NCC5=CC=CO5)N5C=NN=C45)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1396": {"pro_comp_id": 938, "tar_path": "EED_O75530.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EED_O75530_103_lig_smina_out.mol2", "protac_path": "938_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCNC(=O)C3=CC=C(C4=CN=C(NCC5=CC=CO5)N5C=NN=C45)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1397": {"pro_comp_id": 938, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_103_lig_smina_out.mol2", "protac_path": "938_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCNC(=O)C3=CC=C(C4=CN=C(NCC5=CC=CO5)N5C=NN=C45)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1399": {"pro_comp_id": 939, "tar_path": "EED_O75530.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EED_O75530_103_lig_smina_out.mol2", "protac_path": "939_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCNC(=O)C3=CC=C(C4=CN=C(NCC5=CC=CO5)N5C=NN=C45)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1400": {"pro_comp_id": 939, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_103_lig_smina_out.mol2", "protac_path": "939_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCNC(=O)C3=CC=C(C4=CN=C(NCC5=CC=CO5)N5C=NN=C45)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1402": {"pro_comp_id": 940, "tar_path": "EED_O75530.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EED_O75530_103_lig_smina_out.mol2", "protac_path": "940_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C3=CC=C(C4=CN=C(NCC5=CC=CO5)N5C=NN=C45)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1403": {"pro_comp_id": 940, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_103_lig_smina_out.mol2", "protac_path": "940_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C3=CC=C(C4=CN=C(NCC5=CC=CO5)N5C=NN=C45)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1405": {"pro_comp_id": 941, "tar_path": "EED_O75530.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EED_O75530_103_lig_smina_out.mol2", "protac_path": "941_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCNC(=O)C3=CC=C(C4=CN=C(NCC5=CC=CO5)N5C=NN=C45)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1406": {"pro_comp_id": 941, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_103_lig_smina_out.mol2", "protac_path": "941_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCNC(=O)C3=CC=C(C4=CN=C(NCC5=CC=CO5)N5C=NN=C45)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1408": {"pro_comp_id": 942, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "AKT1_P31749_104_lig_smina_out.mol2", "protac_path": "942_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCCCCCCCCCC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "1409": {"pro_comp_id": 942, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "AKT2_P31751_104_lig_smina_out.mol2", "protac_path": "942_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCCCCCCCCCC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "1410": {"pro_comp_id": 942, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_104_lig_smina_out.mol2", "protac_path": "942_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCCCCCCCCCC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "1411": {"pro_comp_id": 942, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "CDK4_P11802_104_lig_smina_out.mol2", "protac_path": "942_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCCCCCCCCCC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "1412": {"pro_comp_id": 942, "tar_path": "MAPK6_Q16659.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MAPK6_Q16659_104_lig_smina_out.mol2", "protac_path": "942_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCCCCCCCCCC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "1413": {"pro_comp_id": 942, "tar_path": "STK17A_Q9UEE5.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STK17A_Q9UEE5_104_lig_smina_out.mol2", "protac_path": "942_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCCCCCCCCCC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "1414": {"pro_comp_id": 943, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_105_lig_smina_out.mol2", "protac_path": "943_protac.mol2", "smiles": "C=CC(=O)N1CCN(C2=NC(NCCC(=O)NCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=NC3=C(F)C(C4=CC(O)=CC5=CC=CC=C45)=C(Cl)C=C23)CC1", "label": 0}, "1415": {"pro_comp_id": 944, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_105_lig_smina_out.mol2", "protac_path": "944_protac.mol2", "smiles": "C=CC(=O)N1CCN(C2=NC(NCCC(=O)NCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=NC3=C(F)C(C4=CC(O)=CC5=CC=CC=C45)=C(Cl)C=C23)CC1", "label": 0}, "1416": {"pro_comp_id": 945, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_105_lig_smina_out.mol2", "protac_path": "945_protac.mol2", "smiles": "C=CC(=O)N1CCN(C2=NC(NCCCC3=CN(COCCOCCOCCC(=O)NC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)N=N3)=NC3=C(F)C(C4=CC(O)=CC5=CC=CC=C45)=C(Cl)C=C23)CC1", "label": 0}, "1417": {"pro_comp_id": 946, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_105_lig_smina_out.mol2", "protac_path": "946_protac.mol2", "smiles": "C=CC(=O)N1CCN(C2=NC(NCCOCCOCCOCCC3=CN(COCCOCCOCCC(=O)NC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)N=N3)=NC3=C(F)C(C4=CC(O)=CC5=CC=CC=C45)=C(Cl)C=C23)CC1", "label": 0}, "1418": {"pro_comp_id": 947, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_105_lig_smina_out.mol2", "protac_path": "947_protac.mol2", "smiles": "C=CC(=O)N1CCN(C2=NC(NCCOCCOCCOCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=NC3=C(F)C(C4=CC(O)=CC5=CC=CC=C45)=C(Cl)C=C23)CC1", "label": 0}, "1419": {"pro_comp_id": 948, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_105_lig_smina_out.mol2", "protac_path": "948_protac.mol2", "smiles": "C=CC(=O)N1CCN(C2=NC(NCCOCCOCCOCCOCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=NC3=C(F)C(C4=CC(O)=CC5=CC=CC=C45)=C(Cl)C=C23)CC1", "label": 0}, "1420": {"pro_comp_id": 949, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_105_lig_smina_out.mol2", "protac_path": "949_protac.mol2", "smiles": "C=CC(=O)N1CCN(C2=NC(NCCOCCOCCOCCOCCOCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=NC3=C(F)C(C4=CC(O)=CC5=CC=CC=C45)=C(Cl)C=C23)CC1", "label": 0}, "1421": {"pro_comp_id": 950, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_105_lig_smina_out.mol2", "protac_path": "950_protac.mol2", "smiles": "C=CC(=O)N1CCN(C2=NC(NCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=NC3=C(F)C(C4=CC(O)=CC5=CC=CC=C45)=C(Cl)C=C23)CC1", "label": 0}, "1422": {"pro_comp_id": 951, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_105_lig_smina_out.mol2", "protac_path": "951_protac.mol2", "smiles": "C=CC(=O)N1CCN(C2=NC(NCCCCCCCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=NC3=C(F)C(C4=CC(O)=CC5=CC=CC=C45)=C(Cl)C=C23)CC1", "label": 0}, "1423": {"pro_comp_id": 952, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_105_lig_smina_out.mol2", "protac_path": "952_protac.mol2", "smiles": "C=CC(=O)N1CCN(C2=NC(NCCCN(C)CCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=NC3=C(F)C(C4=CC(O)=CC5=CC=CC=C45)=C(Cl)C=C23)CC1", "label": 0}, "1424": {"pro_comp_id": 953, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_105_lig_smina_out.mol2", "protac_path": "953_protac.mol2", "smiles": "C=CC(=O)N1CCN(C2=NC(NCCN3CCN(CCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)=NC3=C(F)C(C4=CC(O)=CC5=CC=CC=C45)=C(Cl)C=C23)CC1", "label": 0}, "1425": {"pro_comp_id": 954, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_105_lig_smina_out.mol2", "protac_path": "954_protac.mol2", "smiles": "C=CC(=O)N1CCN(C2=NC(NCCCN3CCN(CCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)=NC3=C(F)C(C4=CC(O)=CC5=CC=CC=C45)=C(Cl)C=C23)CC1", "label": 0}, "1426": {"pro_comp_id": 955, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_105_lig_smina_out.mol2", "protac_path": "955_protac.mol2", "smiles": "C=CC(=O)N1CCN(C2=NC(NCCCCN3CCN(CCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)=NC3=C(F)C(C4=CC(O)=CC5=CC=CC=C45)=C(Cl)C=C23)CC1", "label": 0}, "1427": {"pro_comp_id": 956, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_105_lig_smina_out.mol2", "protac_path": "956_protac.mol2", "smiles": "C=CC(=O)N1CCN(C2=NC(NCCOCCN3CCN(CCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)=NC3=C(F)C(C4=CC(O)=CC5=CC=CC=C45)=C(Cl)C=C23)CC1", "label": 0}, "1428": {"pro_comp_id": 957, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_105_lig_smina_out.mol2", "protac_path": "957_protac.mol2", "smiles": "C=CC(=O)N1CCN(C2=NC(NCCOCCOCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)=NC3=C(F)C(C4=CC(O)=CC5=CC=CC=C45)=C(Cl)C=C23)CC1", "label": 0}, "1429": {"pro_comp_id": 958, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_105_lig_smina_out.mol2", "protac_path": "958_protac.mol2", "smiles": "C=CC(=O)N1CCN(C2=NC(NCCCN3CCN(CCCNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)=NC3=C(F)C(C4=CC(O)=CC5=CC=CC=C45)=C(Cl)C=C23)CC1", "label": 0}, "1433": {"pro_comp_id": 962, "tar_path": "CRBN_Q96SW2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CRBN_Q96SW2_23_lig_smina_out.mol2", "protac_path": "962_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCC(=O)NCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1434": {"pro_comp_id": 963, "tar_path": "CRBN_Q96SW2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CRBN_Q96SW2_23_lig_smina_out.mol2", "protac_path": "963_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCC(=O)NCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1435": {"pro_comp_id": 964, "tar_path": "CRBN_Q96SW2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CRBN_Q96SW2_23_lig_smina_out.mol2", "protac_path": "964_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCC(=O)NCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1436": {"pro_comp_id": 965, "tar_path": "CRBN_Q96SW2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CRBN_Q96SW2_23_lig_smina_out.mol2", "protac_path": "965_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCOCC(=O)NCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1437": {"pro_comp_id": 966, "tar_path": "CRBN_Q96SW2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CRBN_Q96SW2_23_lig_smina_out.mol2", "protac_path": "966_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)NCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1438": {"pro_comp_id": 967, "tar_path": "CRBN_Q96SW2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CRBN_Q96SW2_23_lig_smina_out.mol2", "protac_path": "967_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCCCOCC(=O)NCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1439": {"pro_comp_id": 968, "tar_path": "CRBN_Q96SW2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CRBN_Q96SW2_23_lig_smina_out.mol2", "protac_path": "968_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCCOCCOCCCCCOCC(=O)NCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C(C)(C)C)C=C2)SC=N1", "label": 0}, "1440": {"pro_comp_id": 969, "tar_path": "CRBN_Q96SW2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "CRBN_Q96SW2_23_lig_smina_out.mol2", "protac_path": "969_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCOCCOCCOCC(=O)NCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)SC=N1", "label": -1}, "1441": {"pro_comp_id": 970, "tar_path": "CRBN_Q96SW2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "CRBN_Q96SW2_23_lig_smina_out.mol2", "protac_path": "970_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCOCCOCCOCCOCCOCC(=O)NCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)SC=N1", "label": -1}, "1442": {"pro_comp_id": 971, "tar_path": "CRBN_Q96SW2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "CRBN_Q96SW2_23_lig_smina_out.mol2", "protac_path": "971_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCCCC(=O)NCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)SC=N1", "label": -1}, "1443": {"pro_comp_id": 972, "tar_path": "CRBN_Q96SW2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "CRBN_Q96SW2_23_lig_smina_out.mol2", "protac_path": "972_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)SCCOCCOCCOCC(=O)NCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)SC=N1", "label": -1}, "1444": {"pro_comp_id": 973, "tar_path": "CRBN_Q96SW2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "CRBN_Q96SW2_23_lig_smina_out.mol2", "protac_path": "973_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)SCCOCCOCCOCCOCCOCC(=O)NCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)SC=N1", "label": -1}, "1445": {"pro_comp_id": 974, "tar_path": "CRBN_Q96SW2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "CRBN_Q96SW2_23_lig_smina_out.mol2", "protac_path": "974_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)SCCCCC(=O)NCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)SC=N1", "label": -1}, "1446": {"pro_comp_id": 975, "tar_path": "FKBP12_P62942.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FKBP12_P62942_107_lig_smina_out.mol2", "protac_path": "975_protac.mol2", "smiles": "CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OCCOCC3=CN(CCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C", "label": 1}, "1447": {"pro_comp_id": 976, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_27_lig_smina_out.mol2", "protac_path": "976_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)CCCC2=CN(CCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C1", "label": -1}, "1448": {"pro_comp_id": 977, "tar_path": "RIPK2_O43353.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_1_lig_smina_out.mol2", "war_path": "RIPK2_O43353_52_lig_smina_out.mol2", "protac_path": "977_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCOCCOCCOCCOC3=CC4=NC=CC(NC5=CC=C6SC=NC6=C5)=C4C=C3S(=O)(=O)C(C)(C)C)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C", "label": 1}, "1449": {"pro_comp_id": 978, "tar_path": "RIPK2_O43353.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "RIPK2_O43353_52_lig_smina_out.mol2", "protac_path": "978_protac.mol2", "smiles": "CC(C)(C)S(=O)(=O)C1=CC2=C(NC3=CC=C4SC=NC4=C3)C=CN=C2C=C1OCCOCCOCCOCCOCC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O", "label": 1}, "1452": {"pro_comp_id": 980, "tar_path": "RIPK2_O43353.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_39_lig_smina_out.mol2", "war_path": "RIPK2_O43353_108_lig_smina_out.mol2", "protac_path": "980_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)C2=CN=C(N3CCN(CCCOC4=CC5=NC=NC(NC6=N[NH]C(C)=C6C)=C5C=C4S(=O)(=O)C(C)(C)C)CC3)C=N2)C[C@H]1C(=O)NC1=C(F)C=CC=C1F)C(C)(C)C", "label": 1}, "1454": {"pro_comp_id": 981, "tar_path": "Cdc20_Q12834.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "Cdc20_Q12834_109_lig_smina_out.mol2", "protac_path": "981_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCC(=O)NCCCOC(=O)NC(NC3=NC=CC=N3)C(Cl)(Cl)Cl)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1455": {"pro_comp_id": 982, "tar_path": "Cdc20_Q12834.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "Cdc20_Q12834_109_lig_smina_out.mol2", "protac_path": "982_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCC(=O)NCCCOC(=O)NC(NC3=NC=CC=N3)C(Cl)(Cl)Cl)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1456": {"pro_comp_id": 983, "tar_path": "Cdc20_Q12834.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "Cdc20_Q12834_109_lig_smina_out.mol2", "protac_path": "983_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCC(=O)NCCCOC(=O)NC(NC3=NC=CC=N3)C(Cl)(Cl)Cl)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1457": {"pro_comp_id": 984, "tar_path": "Cdc20_Q12834.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "Cdc20_Q12834_109_lig_smina_out.mol2", "protac_path": "984_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCC(=O)NCCCOC(=O)NC(NC3=NC=CC=N3)C(Cl)(Cl)Cl)C(C)(C)C)C=C2)SC=N1", "label": 0}, "1458": {"pro_comp_id": 985, "tar_path": "Cdc20_Q12834.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "Cdc20_Q12834_109_lig_smina_out.mol2", "protac_path": "985_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCOCCC(=O)NCCCOC(=O)NC(NC3=NC=CC=N3)C(Cl)(Cl)Cl)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1459": {"pro_comp_id": 986, "tar_path": "Cdc20_Q12834.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "Cdc20_Q12834_109_lig_smina_out.mol2", "protac_path": "986_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCOC(=O)NC(NC3=NC=CC=N3)C(Cl)(Cl)Cl)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1460": {"pro_comp_id": 987, "tar_path": "Cdc20_Q12834.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "Cdc20_Q12834_109_lig_smina_out.mol2", "protac_path": "987_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCOC(=O)NC(NC3=NC=CC=N3)C(Cl)(Cl)Cl)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1461": {"pro_comp_id": 988, "tar_path": "Cdc20_Q12834.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "Cdc20_Q12834_109_lig_smina_out.mol2", "protac_path": "988_protac.mol2", "smiles": "O=C(CCOCCOCCC(=O)NCCCOC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCOC(=O)NC(NC1=NC=CC=N1)C(Cl)(Cl)Cl", "label": -1}, "1462": {"pro_comp_id": 989, "tar_path": "Cdc20_Q12834.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "Cdc20_Q12834_109_lig_smina_out.mol2", "protac_path": "989_protac.mol2", "smiles": "O=C(CCOCCOCCOCCC(=O)NCCCOC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCOC(=O)NC(NC1=NC=CC=N1)C(Cl)(Cl)Cl", "label": -1}, "1463": {"pro_comp_id": 990, "tar_path": "Cdc20_Q12834.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "Cdc20_Q12834_109_lig_smina_out.mol2", "protac_path": "990_protac.mol2", "smiles": "O=C(CCOCCOCCOCCOCCOCCC(=O)NCCCOC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCOC(=O)NC(NC1=NC=CC=N1)C(Cl)(Cl)Cl", "label": -1}, "1464": {"pro_comp_id": 991, "tar_path": "Cdc20_Q12834.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "Cdc20_Q12834_109_lig_smina_out.mol2", "protac_path": "991_protac.mol2", "smiles": "O=C(CCOCCOCCOCCC(=O)NCCOC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCOC(=O)NC(NC1=NC=CC=N1)C(Cl)(Cl)Cl", "label": -1}, "1465": {"pro_comp_id": 992, "tar_path": "Cdc20_Q12834.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "Cdc20_Q12834_109_lig_smina_out.mol2", "protac_path": "992_protac.mol2", "smiles": "O=C(CCOCCOCCOCCOCCOCCOCCC(=O)NCCOC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCOC(=O)NC(NC1=NC=CC=N1)C(Cl)(Cl)Cl", "label": -1}, "1466": {"pro_comp_id": 993, "tar_path": "Cdc20_Q12834.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "Cdc20_Q12834_109_lig_smina_out.mol2", "protac_path": "993_protac.mol2", "smiles": "O=C(CCOCCOCCOCCOCCOCCOCCC(=O)NCCCOC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCOC(=O)NC(NC1=NC=CC=N1)C(Cl)(Cl)Cl", "label": -1}, "1467": {"pro_comp_id": 994, "tar_path": "Cdc20_Q12834.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "Cdc20_Q12834_109_lig_smina_out.mol2", "protac_path": "994_protac.mol2", "smiles": "O=C(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCOC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCOC(=O)NC(NC1=NC=CC=N1)C(Cl)(Cl)Cl", "label": -1}, "1468": {"pro_comp_id": 995, "tar_path": "Cdc20_Q12834.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "Cdc20_Q12834_109_lig_smina_out.mol2", "protac_path": "995_protac.mol2", "smiles": "O=C(CCOCCOCCOCCOCCOCCN1C=C(COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1)NCCCOC(=O)NC(NC1=NC=CC=N1)C(Cl)(Cl)Cl", "label": -1}, "1469": {"pro_comp_id": 996, "tar_path": "VHL_P40337.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "VHL_P40337_110_lig_smina_out.mol2", "protac_path": "996_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1470": {"pro_comp_id": 997, "tar_path": "VHL_P40337.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "VHL_P40337_110_lig_smina_out.mol2", "protac_path": "997_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1471": {"pro_comp_id": 998, "tar_path": "VHL_P40337.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "VHL_P40337_110_lig_smina_out.mol2", "protac_path": "998_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C(C)(C)C)C=C2)SC=N1", "label": 1}, "1472": {"pro_comp_id": 999, "tar_path": "VHL_P40337.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "VHL_P40337_110_lig_smina_out.mol2", "protac_path": "999_protac.mol2", "smiles": "CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1OCCOCCOCCOCCOCCOC1=CC(C2=C(C)N=CS2)=CC=C1CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(C)=O)C(C)(C)C)C(C)(C)C", "label": -1}, "1473": {"pro_comp_id": 1000, "tar_path": "VHL_P40337.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_13_lig_smina_out.mol2", "war_path": "VHL_P40337_111_lig_smina_out.mol2", "protac_path": "1000_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(C#N)CC3)C(C)(C)C)C(OCCOCCOCCOCCOCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(C#N)CC3)C(C)(C)C)=C2)SC=N1", "label": -1}, "1474": {"pro_comp_id": 1001, "tar_path": "VHL_P40337.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "VHL_P40337_110_lig_smina_out.mol2", "protac_path": "1001_protac.mol2", "smiles": "CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1OCCOCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C)C(C)(C)C", "label": -1}, "1475": {"pro_comp_id": 1002, "tar_path": "VHL_P40337.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "VHL_P40337_111_lig_smina_out.mol2", "protac_path": "1002_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(C#N)CC3)C(C)(C)C)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1476": {"pro_comp_id": 1003, "tar_path": "TRKC_Q16288.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TRKC_Q16288_112_lig_smina_out.mol2", "protac_path": "1003_protac.mol2", "smiles": "CC[C@H](C)[C@H](N)C1=CN([C@@H](CC2=CC=C(O)C=C2)C(=O)N2CCN(C3=NC(NCCOCCOCCOCC4=CN(CCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)=NC(N4CCN(C(=O)[C@H](CC5=CC=C(O)C=C5)N5C=C([C@@H](N)[C@@H](C)CC)N=N5)CC4)=N3)CC2)N=N1", "label": 0}, "1477": {"pro_comp_id": 1004, "tar_path": "TRKC_Q16288.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_46_lig_smina_out.mol2", "war_path": "TRKC_Q16288_112_lig_smina_out.mol2", "protac_path": "1004_protac.mol2", "smiles": "CC[C@H](C)[C@H](N)C1=CN([C@@H](CC2=CC=C(O)C=C2)C(=O)N2CCN(C3=NC(NCCOCCOCCOCC4=CN(CCOCCOCCOCCNC(=O)CN5CCN(C(=O)N6C(C7=CC=C(OC)C=C7OC(C)C)=N[C@@H](C7=CC=C(Cl)C=C7)[C@H]6C6=CC=C(Cl)C=C6)CC5=O)N=N4)=NC(N4CCN(C(=O)[C@H](CC5=CC=C(O)C=C5)N5C=C([C@@H](N)[C@@H](C)CC)N=N5)CC4)=N3)CC2)N=N1", "label": -1}, "1478": {"pro_comp_id": 1005, "tar_path": "TRKC_Q16288.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_46_lig_smina_out.mol2", "war_path": "TRKC_Q16288_112_lig_smina_out.mol2", "protac_path": "1005_protac.mol2", "smiles": "CC[C@H](C)[C@H](N)C1=CN([C@@H](CC2=CC=C(O)C=C2)C(=O)N2CCN(C3=NC(NCCOCCOCCOCC4=CN(CCOCCOCCOCCOCCOCCNC(=O)CN5CCN(C(=O)N6C(C7=CC=C(OC)C=C7OC(C)C)=N[C@@H](C7=CC=C(Cl)C=C7)[C@H]6C6=CC=C(Cl)C=C6)CC5=O)N=N4)=NC(N4CCN(C(=O)[C@H](CC5=CC=C(O)C=C5)N5C=C([C@@H](N)[C@@H](C)CC)N=N5)CC4)=N3)CC2)N=N1", "label": -1}, "1480": {"pro_comp_id": 1007, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_85_lig_smina_out.mol2", "protac_path": "1007_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCN4C=C(CCCCN(CC5=CC=C(C(=O)NO)C=C5)C(=O)NC5=CC=CC=C5)N=N4)=C3C2=O)C(=O)N1", "label": -1}, "1481": {"pro_comp_id": 1008, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_85_lig_smina_out.mol2", "protac_path": "1008_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCN4C=C(CCCCN(CC5=CC=C(C(=O)NO)C=C5)C(=O)NC5=CC=CC=C5)N=N4)=C3C2=O)C(=O)N1", "label": 1}, "1482": {"pro_comp_id": 1009, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_85_lig_smina_out.mol2", "protac_path": "1009_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCN4C=C(CCCCN(CC5=CC=C(C(=O)NO)C=C5)C(=O)NC5=CC=CC=C5)N=N4)=C3C2=O)C(=O)N1", "label": -1}, "1483": {"pro_comp_id": 1010, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_85_lig_smina_out.mol2", "protac_path": "1010_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOCCN4C=C(CCCCN(CC5=CC=C(C(=O)NO)C=C5)C(=O)NC5=CC=CC=C5)N=N4)=C3C2=O)C(=O)N1", "label": -1}, "1484": {"pro_comp_id": 1011, "tar_path": "CRBN_Q96SW2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CRBN_Q96SW2_23_lig_smina_out.mol2", "protac_path": "1011_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C(C)(C)C)C=C2)SC=N1", "label": 1}, "1485": {"pro_comp_id": 1012, "tar_path": "CRBN_Q96SW2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CRBN_Q96SW2_23_lig_smina_out.mol2", "protac_path": "1012_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C(C)(C)C)C=C2)SC=N1", "label": 1}, "1486": {"pro_comp_id": 1013, "tar_path": "CRBN_Q96SW2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CRBN_Q96SW2_23_lig_smina_out.mol2", "protac_path": "1013_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C(C)(C)C)C=C2)SC=N1", "label": 0}, "1487": {"pro_comp_id": 1014, "tar_path": "CRBN_Q96SW2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CRBN_Q96SW2_23_lig_smina_out.mol2", "protac_path": "1014_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNC(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C(C)(C)C)C=C2)SC=N1", "label": 1}, "1488": {"pro_comp_id": 1015, "tar_path": "CRBN_Q96SW2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CRBN_Q96SW2_44_lig_smina_out.mol2", "protac_path": "1015_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C(C)(C)C)C=C2)SC=N1", "label": 0}, "1489": {"pro_comp_id": 1016, "tar_path": "CRBN_Q96SW2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CRBN_Q96SW2_23_lig_smina_out.mol2", "protac_path": "1016_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C(C)(C)C)C=C2)SC=N1", "label": 0}, "1507": {"pro_comp_id": 1034, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_38_lig_smina_out.mol2", "war_path": "ER_P03372_7_lig_smina_out.mol2", "protac_path": "1034_protac.mol2", "smiles": "CC/C(=C(\\C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C(=O)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CC2=CC=CC=C2)C=C1)C1=CC=CC=C1", "label": -1}, "1508": {"pro_comp_id": 1035, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_38_lig_smina_out.mol2", "war_path": "ER_P03372_7_lig_smina_out.mol2", "protac_path": "1035_protac.mol2", "smiles": "CC/C(=C(\\C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C(=O)CCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CC2=CC=CC=C2)C=C1)C1=CC=CC=C1", "label": -1}, "1509": {"pro_comp_id": 1036, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_38_lig_smina_out.mol2", "war_path": "ER_P03372_7_lig_smina_out.mol2", "protac_path": "1036_protac.mol2", "smiles": "CC/C(=C(\\C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C(=O)CCCCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CC2=CC=CC=C2)C=C1)C1=CC=CC=C1", "label": -1}, "1510": {"pro_comp_id": 1037, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "XIAP_P98170.pdb", "e3_lig_path": "XIAP_P98170_48_lig_smina_out.mol2", "war_path": "ER_P03372_7_lig_smina_out.mol2", "protac_path": "1037_protac.mol2", "smiles": "CC/C(=C(\\C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C(=O)COCCOCCOC2=CC=CC(C(=O)C3=CSC([C@@H]4CCCN4C(=O)[C@@H](NC(=O)[C@H](C)NC)C4CCCCC4)=N3)=C2)C=C1)C1=CC=CC=C1", "label": -1}, "1511": {"pro_comp_id": 1038, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "XIAP_P98170.pdb", "e3_lig_path": "XIAP_P98170_48_lig_smina_out.mol2", "war_path": "ER_P03372_7_lig_smina_out.mol2", "protac_path": "1038_protac.mol2", "smiles": "CC/C(=C(\\C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C(=O)COCCOCCOCCOC2=CC=CC(C(=O)C3=CSC([C@@H]4CCCN4C(=O)[C@@H](NC(=O)[C@H](C)NC)C4CCCCC4)=N3)=C2)C=C1)C1=CC=CC=C1", "label": 1}, "1512": {"pro_comp_id": 1038, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "XIAP_P98170.pdb", "e3_lig_path": "XIAP_P98170_48_lig_smina_out.mol2", "war_path": "ER_P03372_7_lig_smina_out.mol2", "protac_path": "1038_protac.mol2", "smiles": "CC/C(=C(\\C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C(=O)COCCOCCOCCOC2=CC=CC(C(=O)C3=CSC([C@@H]4CCCN4C(=O)[C@@H](NC(=O)[C@H](C)NC)C4CCCCC4)=N3)=C2)C=C1)C1=CC=CC=C1", "label": 1}, "1513": {"pro_comp_id": 1039, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "XIAP_P98170.pdb", "e3_lig_path": "XIAP_P98170_48_lig_smina_out.mol2", "war_path": "ER_P03372_7_lig_smina_out.mol2", "protac_path": "1039_protac.mol2", "smiles": "CC/C(=C(\\C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C(=O)COCCOCCOCCOCCOC2=CC=CC(C(=O)C3=CSC([C@@H]4CCCN4C(=O)[C@@H](NC(=O)[C@H](C)NC)C4CCCCC4)=N3)=C2)C=C1)C1=CC=CC=C1", "label": -1}, "1514": {"pro_comp_id": 1040, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "XIAP_P98170.pdb", "e3_lig_path": "XIAP_P98170_48_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "1040_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=CC(OCCOCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)=C2)=CS1)C1CCCCC1", "label": -1}, "1515": {"pro_comp_id": 1040, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_48_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "1040_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=CC(OCCOCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)=C2)=CS1)C1CCCCC1", "label": -1}, "1517": {"pro_comp_id": 1042, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_38_lig_smina_out.mol2", "war_path": "ER_P03372_7_lig_smina_out.mol2", "protac_path": "1042_protac.mol2", "smiles": "CC/C(=C(\\C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C(=O)COCCOCCOCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CC2=CC=CC=C2)C=C1)C1=CC=CC=C1", "label": -1}, "1525": {"pro_comp_id": 1050, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_48_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "1050_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=CC(OCCOCCOCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)=C2)=CS1)C1CCCCC1", "label": -1}, "1526": {"pro_comp_id": 1051, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "XIAP_P98170.pdb", "e3_lig_path": "XIAP_P98170_54_lig_smina_out.mol2", "war_path": "ER_P03372_7_lig_smina_out.mol2", "protac_path": "1051_protac.mol2", "smiles": "CC/C(=C(\\C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C(=O)COCCOCCOCCNC(=O)C2=CC(C3=CN=CC([C@@H]4CCCN4C(=O)[C@@H](NC(=O)[C@H](C)NC)C4CCCCC4)=C3)=CC=C2F)C=C1)C1=CC=CC=C1", "label": 0}, "1527": {"pro_comp_id": 1052, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "XIAP_P98170.pdb", "e3_lig_path": "XIAP_P98170_55_lig_smina_out.mol2", "war_path": "ER_P03372_7_lig_smina_out.mol2", "protac_path": "1052_protac.mol2", "smiles": "CC/C(=C(\\C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C(=O)COCCOCCOCCNC(=O)C2=CC=CC3=C2C=CN3C2=CN=CC([C@@H]3CCCN3C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)C)=C2)C=C1)C1=CC=CC=C1", "label": 1}, "1528": {"pro_comp_id": 1053, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "XIAP_P98170.pdb", "e3_lig_path": "XIAP_P98170_49_lig_smina_out.mol2", "war_path": "ER_P03372_7_lig_smina_out.mol2", "protac_path": "1053_protac.mol2", "smiles": "CC/C(=C(\\C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C(=O)COCCOCCOCCOC2=CC=CC(O[C@H]3C[C@@H](C(=O)N[C@@H]4CCCC5=CC=CC=C54)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C4CCCCC4)C3)=C2)C=C1)C1=CC=CC=C1", "label": 1}, "1529": {"pro_comp_id": 1054, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "XIAP_P98170.pdb", "e3_lig_path": "XIAP_P98170_49_lig_smina_out.mol2", "war_path": "ER_P03372_7_lig_smina_out.mol2", "protac_path": "1054_protac.mol2", "smiles": "CC/C(=C(\\C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C(=O)COCCOCCOCCOC2=CC=C(O[C@H]3C[C@@H](C(=O)N[C@@H]4CCCC5=CC=CC=C54)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C4CCCCC4)C3)C=C2)C=C1)C1=CC=CC=C1", "label": 1}, "1530": {"pro_comp_id": 1055, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "XIAP_P98170.pdb", "e3_lig_path": "XIAP_P98170_51_lig_smina_out.mol2", "war_path": "ER_P03372_7_lig_smina_out.mol2", "protac_path": "1055_protac.mol2", "smiles": "CC/C(=C(\\C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C(=O)COCCOCCOCCOC2=CC=CC(CCN3C[C@@H]4CC[C@H]3[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC)C3CCCCC3)C4)=C2)C=C1)C1=CC=CC=C1", "label": 0}, "1531": {"pro_comp_id": 1056, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "XIAP_P98170.pdb", "e3_lig_path": "XIAP_P98170_49_lig_smina_out.mol2", "war_path": "ER_P03372_7_lig_smina_out.mol2", "protac_path": "1056_protac.mol2", "smiles": "CC/C(=C(\\C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C(=O)COCCOCCOCCOC2=CC=CC=C2O[C@H]2C[C@@H](C(=O)N[C@@H]3CCCC4=CC=CC=C43)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C3CCCCC3)C2)C=C1)C1=CC=CC=C1", "label": 1}, "1532": {"pro_comp_id": 1057, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "XIAP_P98170.pdb", "e3_lig_path": "XIAP_P98170_51_lig_smina_out.mol2", "war_path": "ER_P03372_7_lig_smina_out.mol2", "protac_path": "1057_protac.mol2", "smiles": "CC/C(=C(\\C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C(=O)COCCOCCOCCOC2=CC=C(CCN3C[C@@H]4CC[C@H]3[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC)C3CCCCC3)C4)C=C2)C=C1)C1=CC=CC=C1", "label": 0}, "1533": {"pro_comp_id": 1058, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "XIAP_P98170.pdb", "e3_lig_path": "XIAP_P98170_57_lig_smina_out.mol2", "war_path": "ER_P03372_7_lig_smina_out.mol2", "protac_path": "1058_protac.mol2", "smiles": "CC/C(=C(\\C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C(=O)COCCOCCOCCOC2=CC=CC(C(=O)C3=CN=CC([C@@H]4CCCN4C(=O)[C@@H](NC(=O)[C@H](C)NC)C4CCCCC4)=C3)=C2)C=C1)C1=CC=CC=C1", "label": 1}, "1534": {"pro_comp_id": 1059, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "XIAP_P98170.pdb", "e3_lig_path": "XIAP_P98170_53_lig_smina_out.mol2", "war_path": "ER_P03372_7_lig_smina_out.mol2", "protac_path": "1059_protac.mol2", "smiles": "CC/C(=C(\\C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C(=O)COCCOCCOCCOCC(=O)N2CCC([C@H](NC(=O)[C@H](C)NC)C(=O)N3CCC[C@H]3C3=NC4=C(C5=CC=CC=C5)N=CC=C4S3)CC2)C=C1)C1=CC=CC=C1", "label": 1}, "1535": {"pro_comp_id": 1060, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "XIAP_P98170.pdb", "e3_lig_path": "XIAP_P98170_56_lig_smina_out.mol2", "war_path": "ER_P03372_7_lig_smina_out.mol2", "protac_path": "1060_protac.mol2", "smiles": "CC/C(=C(\\C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C(=O)COCCOCCOCCOCC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N2CCC[C@H]2C(=O)NC2=C(C3=CC=CC=C3)N=NS2)C=C1)C1=CC=CC=C1", "label": 1}, "1536": {"pro_comp_id": 1061, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "XIAP_P98170.pdb", "e3_lig_path": "XIAP_P98170_50_lig_smina_out.mol2", "war_path": "ER_P03372_7_lig_smina_out.mol2", "protac_path": "1061_protac.mol2", "smiles": "CC/C(=C(\\C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C(=O)COCCOCCOCCOC2=CC=CC(O[C@@H]3C[C@@H](C(=O)N[C@@H]4CCCC5=CC=CC=C54)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C4CCCCC4)C3)=C2)C=C1)C1=CC=CC=C1", "label": 0}, "1537": {"pro_comp_id": 1062, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "XIAP_P98170.pdb", "e3_lig_path": "XIAP_P98170_52_lig_smina_out.mol2", "war_path": "ER_P03372_7_lig_smina_out.mol2", "protac_path": "1062_protac.mol2", "smiles": "CC/C(=C(\\C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C(=O)COCCOCCOCCOC2=CC=C(O[C@H]3C[C@@H](C4=NC(C5=CC=C(F)C6=CC=CC=C56)=CS4)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C4CCCCC4)C3)C=C2)C=C1)C1=CC=CC=C1", "label": 0}, "1538": {"pro_comp_id": 1063, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_38_lig_smina_out.mol2", "war_path": "AR_P10275_117_lig_smina_out.mol2", "protac_path": "1063_protac.mol2", "smiles": "CC1=C(C#N)C(C2=CC=C(C#N)C=C2)=C(C)N1CC1=CC=C(C(=O)NCCOCCOCCOCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CC2=CC=CC=C2)C=C1", "label": 0}, "1539": {"pro_comp_id": 1064, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_38_lig_smina_out.mol2", "war_path": "AR_P10275_13_lig_smina_out.mol2", "protac_path": "1064_protac.mol2", "smiles": "CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CC1=CC=CC=C1)C(=O)NCCOCCOCCOCCNC(=O)C1=CC=C(S(=O)(=O)CC(C)(O)C(=O)NC2=CC=C(C#N)C(C(F)(F)F)=C2)C=C1", "label": 0}, "1540": {"pro_comp_id": 1065, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_38_lig_smina_out.mol2", "war_path": "AR_P10275_118_lig_smina_out.mol2", "protac_path": "1065_protac.mol2", "smiles": "CC1=NN(C2=CC=C(C#N)C(C(F)(F)F)=C2)C(C)=C1CC1=CC=C(C(=O)NCCOCCOCCOCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CC2=CC=CC=C2)C=C1", "label": 0}, "1541": {"pro_comp_id": 1066, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_38_lig_smina_out.mol2", "war_path": "AR_P10275_119_lig_smina_out.mol2", "protac_path": "1066_protac.mol2", "smiles": "CC1=NN(C2=CC=C(C#N)C(Cl)=C2)C(C)=C1CCC1=CC=C(C(=O)NCCOCCOCCOCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CC2=CC=CC=C2)C=C1", "label": 0}, "1542": {"pro_comp_id": 1067, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_38_lig_smina_out.mol2", "war_path": "AR_P10275_120_lig_smina_out.mol2", "protac_path": "1067_protac.mol2", "smiles": "CC1=NN(C2=CC=C(C#N)C=C2Cl)C(C)=C1CC1=CC=C(C(=O)NCCOCCOCCOCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CC2=CC=CC=C2)C=C1", "label": 0}, "1544": {"pro_comp_id": 1069, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_48_lig_smina_out.mol2", "war_path": "AR_P10275_117_lig_smina_out.mol2", "protac_path": "1069_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=CC(OCCOCCOCCNC(=O)C3=CC=C(CN4C(C)=C(C#N)C(C5=CC=C(C#N)C=C5)=C4C)C=C3)=C2)=CS1)C1CCCCC1", "label": -1}, "1545": {"pro_comp_id": 1070, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_48_lig_smina_out.mol2", "war_path": "AR_P10275_117_lig_smina_out.mol2", "protac_path": "1070_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=CC(OCCOCCOCCOCC#CC3=CC=C(CN4C(C)=C(C#N)C(C5=CC=C(C#N)C=C5)=C4C)C=C3)=C2)=CS1)C1CCCCC1", "label": -1}, "1546": {"pro_comp_id": 1071, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_48_lig_smina_out.mol2", "war_path": "AR_P10275_117_lig_smina_out.mol2", "protac_path": "1071_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=CC(OCCOCCOCCOCCCC3=CC=C(CN4C(C)=C(C#N)C(C5=CC=C(C#N)C=C5)=C4C)C=C3)=C2)=CS1)C1CCCCC1", "label": -1}, "1547": {"pro_comp_id": 1072, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_48_lig_smina_out.mol2", "war_path": "AR_P10275_117_lig_smina_out.mol2", "protac_path": "1072_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=CC(OCCOCCOCCOCCOC3=CC=C(CN4C(C)=C(C#N)C(C5=CC=C(C#N)C=C5)=C4C)C=C3)=C2)=CS1)C1CCCCC1", "label": -1}, "1548": {"pro_comp_id": 1073, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_48_lig_smina_out.mol2", "war_path": "AR_P10275_117_lig_smina_out.mol2", "protac_path": "1073_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=CC(OCCOCCOCCOCCOC3=CC=CC(CN4C(C)=C(C#N)C(C5=CC=C(C#N)C=C5)=C4C)=C3)=C2)=CS1)C1CCCCC1", "label": -1}, "1549": {"pro_comp_id": 1074, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_48_lig_smina_out.mol2", "war_path": "AR_P10275_117_lig_smina_out.mol2", "protac_path": "1074_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=CC(OCCOCCOCCOC3=CC=C(CN4C(C)=C(C#N)C(C5=CC=C(C#N)C=C5)=C4C)C=C3)=C2)=CS1)C1CCCCC1", "label": -1}, "1550": {"pro_comp_id": 1075, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_48_lig_smina_out.mol2", "war_path": "AR_P10275_117_lig_smina_out.mol2", "protac_path": "1075_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=CC(OCCOCCOCCOCCOCCOC3=CC=C(CN4C(C)=C(C#N)C(C5=CC=C(C#N)C=C5)=C4C)C=C3)=C2)=CS1)C1CCCCC1", "label": -1}, "1551": {"pro_comp_id": 1076, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_48_lig_smina_out.mol2", "war_path": "AR_P10275_117_lig_smina_out.mol2", "protac_path": "1076_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=CC(OCCOCCOCCOCCOC3=CC=CC=C3CN3C(C)=C(C#N)C(C4=CC=C(C#N)C=C4)=C3C)=C2)=CS1)C1CCCCC1", "label": -1}, "1552": {"pro_comp_id": 1077, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_48_lig_smina_out.mol2", "war_path": "AR_P10275_117_lig_smina_out.mol2", "protac_path": "1077_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=CC(OCCOC3=CC=C(OCCOC4=CC=C(CN5C(C)=C(C#N)C(C6=CC=C(C#N)C=C6)=C5C)C=C4)C=C3)=C2)=CS1)C1CCCCC1", "label": 0}, "1553": {"pro_comp_id": 1078, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_48_lig_smina_out.mol2", "war_path": "AR_P10275_117_lig_smina_out.mol2", "protac_path": "1078_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=CC(OCCOC3=CC=CC(OCCOC4=CC=C(CN5C(C)=C(C#N)C(C6=CC=C(C#N)C=C6)=C5C)C=C4)=C3)=C2)=CS1)C1CCCCC1", "label": 0}, "1554": {"pro_comp_id": 1079, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_48_lig_smina_out.mol2", "war_path": "AR_P10275_117_lig_smina_out.mol2", "protac_path": "1079_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=CC(OCCOC3=CC=CC=C3OCCOC3=CC=C(CN4C(C)=C(C#N)C(C5=CC=C(C#N)C=C5)=C4C)C=C3)=C2)=CS1)C1CCCCC1", "label": 0}, "1555": {"pro_comp_id": 1080, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_121_lig_smina_out.mol2", "protac_path": "1080_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(CNC(=O)CCCCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)C=C4)C=C23)=C1F", "label": -1}, "1556": {"pro_comp_id": 1081, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_122_lig_smina_out.mol2", "protac_path": "1081_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(N2C=C(C3=CN=CN=C3)C3=NC(N(C)C4CCN(C(=O)CCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C32)=C1F", "label": 0}, "1557": {"pro_comp_id": 1081, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_122_lig_smina_out.mol2", "protac_path": "1081_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(N2C=C(C3=CN=CN=C3)C3=NC(N(C)C4CCN(C(=O)CCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C32)=C1F", "label": -1}, "1558": {"pro_comp_id": 1082, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_121_lig_smina_out.mol2", "protac_path": "1082_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(CNC(=O)CCCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)C=C4)C=C23)=C1F", "label": -1}, "1559": {"pro_comp_id": 1083, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_121_lig_smina_out.mol2", "protac_path": "1083_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(CNC(=O)CCCCCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)C=C4)C=C23)=C1F", "label": -1}, "1560": {"pro_comp_id": 1084, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_121_lig_smina_out.mol2", "protac_path": "1084_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(CNC(=O)CCOCCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)C=C4)C=C23)=C1F", "label": -1}, "1561": {"pro_comp_id": 1085, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_121_lig_smina_out.mol2", "protac_path": "1085_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(CNC(=O)CCCCCCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)C=C4)C=C23)=C1F", "label": -1}, "1562": {"pro_comp_id": 1086, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_121_lig_smina_out.mol2", "protac_path": "1086_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(CNC(=O)CCCCCCCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)C=C4)C=C23)=C1F", "label": -1}, "1563": {"pro_comp_id": 1087, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_121_lig_smina_out.mol2", "protac_path": "1087_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(CNC(=O)CCOCCOCCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)C=C4)C=C23)=C1F", "label": -1}, "1564": {"pro_comp_id": 1088, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_121_lig_smina_out.mol2", "protac_path": "1088_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(CNC(=O)CCOCCOCCOCCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)C=C4)C=C23)=C1F", "label": -1}, "1565": {"pro_comp_id": 1089, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_121_lig_smina_out.mol2", "protac_path": "1089_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(CNC(=O)CCOCCOCCOCCOCCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)C=C4)C=C23)=C1F", "label": -1}, "1566": {"pro_comp_id": 1090, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_121_lig_smina_out.mol2", "protac_path": "1090_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(CNC(=O)CCOCCOCCOCCOCCOCCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)C=C4)C=C23)=C1F", "label": -1}, "1567": {"pro_comp_id": 1091, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_122_lig_smina_out.mol2", "protac_path": "1091_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(N2C=C(C3=CN=CN=C3)C3=NC(N(C)C4CCN(C(=O)CCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C32)=C1F", "label": -1}, "1568": {"pro_comp_id": 1092, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_122_lig_smina_out.mol2", "protac_path": "1092_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(N2C=C(C3=CN=CN=C3)C3=NC(N(C)C4CCN(C(=O)CCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C32)=C1F", "label": -1}, "1569": {"pro_comp_id": 1093, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_122_lig_smina_out.mol2", "protac_path": "1093_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(N2C=C(C3=CN=CN=C3)C3=NC(N(C)C4CCN(C(=O)CCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C32)=C1F", "label": -1}, "1570": {"pro_comp_id": 1094, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_122_lig_smina_out.mol2", "protac_path": "1094_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(N2C=C(C3=CN=CN=C3)C3=NC(N(C)C4CCN(C(=O)CCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C32)=C1F", "label": -1}, "1571": {"pro_comp_id": 1095, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_122_lig_smina_out.mol2", "protac_path": "1095_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(N2C=C(C3=CN=CN=C3)C3=NC(N(C)C4CCN(C(=O)CCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C32)=C1F", "label": -1}, "1572": {"pro_comp_id": 1096, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_122_lig_smina_out.mol2", "protac_path": "1096_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(N2C=C(C3=CN=CN=C3)C3=NC(N(C)C4CCN(C(=O)CCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C32)=C1F", "label": -1}, "1573": {"pro_comp_id": 1097, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_122_lig_smina_out.mol2", "protac_path": "1097_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(N2C=C(C3=CN=CN=C3)C3=NC(N(C)C4CCN(C(=O)CCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C32)=C1F", "label": -1}, "1574": {"pro_comp_id": 1098, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_122_lig_smina_out.mol2", "protac_path": "1098_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(N2C=C(C3=CN=CN=C3)C3=NC(N(C)C4CCN(C(=O)CCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C32)=C1F", "label": 1}, "1575": {"pro_comp_id": 1098, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_122_lig_smina_out.mol2", "protac_path": "1098_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(N2C=C(C3=CN=CN=C3)C3=NC(N(C)C4CCN(C(=O)CCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C32)=C1F", "label": -1}, "1576": {"pro_comp_id": 1099, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_122_lig_smina_out.mol2", "protac_path": "1099_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(N2C=C(C3=CN=CN=C3)C3=NC(N(C)C4CCN(C(=O)CCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C32)=C1F", "label": 1}, "1577": {"pro_comp_id": 1099, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_122_lig_smina_out.mol2", "protac_path": "1099_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(N2C=C(C3=CN=CN=C3)C3=NC(N(C)C4CCN(C(=O)CCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C32)=C1F", "label": -1}, "1578": {"pro_comp_id": 1100, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_121_lig_smina_out.mol2", "protac_path": "1100_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(CNC(=O)CCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)C=C4)C=C23)=C1F", "label": -1}, "1579": {"pro_comp_id": 1101, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_121_lig_smina_out.mol2", "protac_path": "1101_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(CNC(=O)CCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)C=C4)C=C23)=C1F", "label": -1}, "1580": {"pro_comp_id": 1102, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_121_lig_smina_out.mol2", "protac_path": "1102_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(CNC(=O)CCOCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)C=C4)C=C23)=C1F", "label": -1}, "1581": {"pro_comp_id": 1103, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_122_lig_smina_out.mol2", "protac_path": "1103_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(N2C=C(C3=CN=CN=C3)C3=NC(N(C)C4CCN(C(=O)CCOCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)=CC=C32)=C1F", "label": -1}, "1582": {"pro_comp_id": 1104, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_122_lig_smina_out.mol2", "protac_path": "1104_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(N2C=C(C3=CN=CN=C3)C3=NC(N(C)C4CCN(C(=O)CCOCCOCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)=CC=C32)=C1F", "label": -1}, "1583": {"pro_comp_id": 1105, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_122_lig_smina_out.mol2", "protac_path": "1105_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(N2C=C(C3=CN=CN=C3)C3=NC(N(C)C4CCN(C(=O)CCOCCOCCOCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)=CC=C32)=C1F", "label": -1}, "1584": {"pro_comp_id": 1106, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_122_lig_smina_out.mol2", "protac_path": "1106_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(N2C=C(C3=CN=CN=C3)C3=NC(N(C)C4CCN(C(=O)CCOCCOCCOCCOCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)=CC=C32)=C1F", "label": -1}, "1585": {"pro_comp_id": 1106, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_122_lig_smina_out.mol2", "protac_path": "1106_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(N2C=C(C3=CN=CN=C3)C3=NC(N(C)C4CCN(C(=O)CCOCCOCCOCCOCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)=CC=C32)=C1F", "label": 0}, "1586": {"pro_comp_id": 1107, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_122_lig_smina_out.mol2", "protac_path": "1107_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(N2C=C(C3=CN=CN=C3)C3=NC(N(C)C4CCN(C(=O)CCOCCOCCOCCOCCOCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)=CC=C32)=C1F", "label": -1}, "1587": {"pro_comp_id": 1108, "tar_path": "HMGCR_P04035.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HMGCR_P04035_123_lig_smina_out.mol2", "protac_path": "1108_protac.mol2", "smiles": "CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCC3=CN(CCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O", "label": 0}, "1588": {"pro_comp_id": 1109, "tar_path": "HMGCR_P04035.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HMGCR_P04035_123_lig_smina_out.mol2", "protac_path": "1109_protac.mol2", "smiles": "CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCCC3=CN(CCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O", "label": 0}, "1589": {"pro_comp_id": 1110, "tar_path": "HMGCR_P04035.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HMGCR_P04035_123_lig_smina_out.mol2", "protac_path": "1110_protac.mol2", "smiles": "CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCCCC3=CN(CCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O", "label": 0}, "1590": {"pro_comp_id": 1111, "tar_path": "HMGCR_P04035.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HMGCR_P04035_123_lig_smina_out.mol2", "protac_path": "1111_protac.mol2", "smiles": "CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCC3=CN(CCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O", "label": 0}, "1591": {"pro_comp_id": 1112, "tar_path": "HMGCR_P04035.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HMGCR_P04035_123_lig_smina_out.mol2", "protac_path": "1112_protac.mol2", "smiles": "CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCCC3=CN(CCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O", "label": 0}, "1592": {"pro_comp_id": 1113, "tar_path": "HMGCR_P04035.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HMGCR_P04035_123_lig_smina_out.mol2", "protac_path": "1113_protac.mol2", "smiles": "CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCCCC3=CN(CCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O", "label": 0}, "1593": {"pro_comp_id": 1114, "tar_path": "HMGCR_P04035.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HMGCR_P04035_123_lig_smina_out.mol2", "protac_path": "1114_protac.mol2", "smiles": "CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCC3=CN(CCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O", "label": 0}, "1594": {"pro_comp_id": 1115, "tar_path": "HMGCR_P04035.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HMGCR_P04035_123_lig_smina_out.mol2", "protac_path": "1115_protac.mol2", "smiles": "CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCCC3=CN(CCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O", "label": 0}, "1595": {"pro_comp_id": 1116, "tar_path": "HMGCR_P04035.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HMGCR_P04035_123_lig_smina_out.mol2", "protac_path": "1116_protac.mol2", "smiles": "CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCCCC3=CN(CCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O", "label": 0}, "1596": {"pro_comp_id": 1117, "tar_path": "HMGCR_P04035.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HMGCR_P04035_123_lig_smina_out.mol2", "protac_path": "1117_protac.mol2", "smiles": "CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCC3=CN(CCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O", "label": 0}, "1597": {"pro_comp_id": 1118, "tar_path": "HMGCR_P04035.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HMGCR_P04035_123_lig_smina_out.mol2", "protac_path": "1118_protac.mol2", "smiles": "CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCCC3=CN(CCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O", "label": 0}, "1598": {"pro_comp_id": 1119, "tar_path": "HMGCR_P04035.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HMGCR_P04035_123_lig_smina_out.mol2", "protac_path": "1119_protac.mol2", "smiles": "CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCCCC3=CN(CCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O", "label": 0}, "1599": {"pro_comp_id": 1120, "tar_path": "HMGCR_P04035.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HMGCR_P04035_123_lig_smina_out.mol2", "protac_path": "1120_protac.mol2", "smiles": "CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCC3=CN(CCOCCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O", "label": 0}, "1600": {"pro_comp_id": 1121, "tar_path": "HMGCR_P04035.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HMGCR_P04035_123_lig_smina_out.mol2", "protac_path": "1121_protac.mol2", "smiles": "CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCCC3=CN(CCOCCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O", "label": 0}, "1601": {"pro_comp_id": 1122, "tar_path": "HMGCR_P04035.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HMGCR_P04035_123_lig_smina_out.mol2", "protac_path": "1122_protac.mol2", "smiles": "CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCCCC3=CN(CCOCCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O", "label": 0}, "1602": {"pro_comp_id": 1123, "tar_path": "HMGCR_P04035.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HMGCR_P04035_123_lig_smina_out.mol2", "protac_path": "1123_protac.mol2", "smiles": "CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCC3=CN(CCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O", "label": -1}, "1603": {"pro_comp_id": 1124, "tar_path": "HMGCR_P04035.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HMGCR_P04035_123_lig_smina_out.mol2", "protac_path": "1124_protac.mol2", "smiles": "CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCC3=CN(CCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O", "label": 0}, "1604": {"pro_comp_id": 1125, "tar_path": "HMGCR_P04035.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HMGCR_P04035_123_lig_smina_out.mol2", "protac_path": "1125_protac.mol2", "smiles": "CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCC3=CN(CCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O", "label": 0}, "1605": {"pro_comp_id": 1126, "tar_path": "HMGCR_P04035.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HMGCR_P04035_123_lig_smina_out.mol2", "protac_path": "1126_protac.mol2", "smiles": "CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCCC3=CN(CCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O", "label": 0}, "1606": {"pro_comp_id": 1127, "tar_path": "HMGCR_P04035.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HMGCR_P04035_123_lig_smina_out.mol2", "protac_path": "1127_protac.mol2", "smiles": "CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCCCC3=CN(CCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O", "label": 0}, "1607": {"pro_comp_id": 1128, "tar_path": "HMGCR_P04035.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HMGCR_P04035_123_lig_smina_out.mol2", "protac_path": "1128_protac.mol2", "smiles": "CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCCCCC3=CN(CCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O", "label": 0}, "1608": {"pro_comp_id": 1129, "tar_path": "HMGCR_P04035.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HMGCR_P04035_123_lig_smina_out.mol2", "protac_path": "1129_protac.mol2", "smiles": "CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCCCCCC3=CN(CCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O", "label": 0}, "1609": {"pro_comp_id": 1130, "tar_path": "HMGCR_P04035.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "HMGCR_P04035_123_lig_smina_out.mol2", "protac_path": "1130_protac.mol2", "smiles": "CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCC3=CN(CCOCCOCCOCCNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O", "label": 0}, "1610": {"pro_comp_id": 1131, "tar_path": "HMGCR_P04035.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "HMGCR_P04035_123_lig_smina_out.mol2", "protac_path": "1131_protac.mol2", "smiles": "CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCCC3=CN(CCOCCOCCOCCNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O", "label": 0}, "1611": {"pro_comp_id": 1132, "tar_path": "HMGCR_P04035.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "HMGCR_P04035_123_lig_smina_out.mol2", "protac_path": "1132_protac.mol2", "smiles": "CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCCCC3=CN(CCOCCOCCOCCNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O", "label": 0}, "1612": {"pro_comp_id": 1133, "tar_path": "HMGCR_P04035.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "HMGCR_P04035_123_lig_smina_out.mol2", "protac_path": "1133_protac.mol2", "smiles": "CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCC3=CN(CCOCCOCCOCCOCCNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O", "label": 0}, "1613": {"pro_comp_id": 1134, "tar_path": "HMGCR_P04035.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "HMGCR_P04035_123_lig_smina_out.mol2", "protac_path": "1134_protac.mol2", "smiles": "CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCCC3=CN(CCOCCOCCOCCOCCNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O", "label": 0}, "1614": {"pro_comp_id": 1135, "tar_path": "HMGCR_P04035.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "HMGCR_P04035_123_lig_smina_out.mol2", "protac_path": "1135_protac.mol2", "smiles": "CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCCCC3=CN(CCOCCOCCOCCOCCNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O", "label": 0}, "1615": {"pro_comp_id": 1136, "tar_path": "HMGCR_P04035.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "HMGCR_P04035_123_lig_smina_out.mol2", "protac_path": "1136_protac.mol2", "smiles": "CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCC3=CN(CCOCC#CC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O", "label": 0}, "1616": {"pro_comp_id": 1137, "tar_path": "HMGCR_P04035.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "HMGCR_P04035_123_lig_smina_out.mol2", "protac_path": "1137_protac.mol2", "smiles": "CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCC3=CN(CCCOCC#CC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O", "label": 0}, "1617": {"pro_comp_id": 1138, "tar_path": "HMGCR_P04035.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "HMGCR_P04035_123_lig_smina_out.mol2", "protac_path": "1138_protac.mol2", "smiles": "CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCC3=CN(CCCCOCC#CC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O", "label": 0}, "1618": {"pro_comp_id": 1139, "tar_path": "HMGCR_P04035.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "HMGCR_P04035_123_lig_smina_out.mol2", "protac_path": "1139_protac.mol2", "smiles": "CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCC3=CN(CCCCCOCC#CC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O", "label": 0}, "1619": {"pro_comp_id": 1140, "tar_path": "HMGCR_P04035.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "HMGCR_P04035_123_lig_smina_out.mol2", "protac_path": "1140_protac.mol2", "smiles": "CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCC3=CN(CCCCCCOCC#CC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O", "label": 0}, "1620": {"pro_comp_id": 1141, "tar_path": "HMGCR_P04035.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "HMGCR_P04035_123_lig_smina_out.mol2", "protac_path": "1141_protac.mol2", "smiles": "CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCC3=CN(CCCCCCCOCC#CC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O", "label": 0}, "1621": {"pro_comp_id": 1142, "tar_path": "HMGCR_P04035.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "HMGCR_P04035_123_lig_smina_out.mol2", "protac_path": "1142_protac.mol2", "smiles": "CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCC3=CN(CCOCCCC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O", "label": 0}, "1622": {"pro_comp_id": 1143, "tar_path": "HMGCR_P04035.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "HMGCR_P04035_123_lig_smina_out.mol2", "protac_path": "1143_protac.mol2", "smiles": "CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCC3=CN(CCCOCCCC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O", "label": 0}, "1623": {"pro_comp_id": 1144, "tar_path": "HMGCR_P04035.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "HMGCR_P04035_123_lig_smina_out.mol2", "protac_path": "1144_protac.mol2", "smiles": "CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCC3=CN(CCCCOCCCC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O", "label": 0}, "1624": {"pro_comp_id": 1145, "tar_path": "HMGCR_P04035.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "HMGCR_P04035_123_lig_smina_out.mol2", "protac_path": "1145_protac.mol2", "smiles": "CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCC3=CN(CCCCCOCCCC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O", "label": 0}, "1625": {"pro_comp_id": 1146, "tar_path": "HMGCR_P04035.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "HMGCR_P04035_123_lig_smina_out.mol2", "protac_path": "1146_protac.mol2", "smiles": "CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCC3=CN(CCCCCCOCCCC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O", "label": 0}, "1626": {"pro_comp_id": 1147, "tar_path": "HMGCR_P04035.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "HMGCR_P04035_123_lig_smina_out.mol2", "protac_path": "1147_protac.mol2", "smiles": "CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCC3=CN(CCCCCCCOCCCC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O", "label": 0}, "1627": {"pro_comp_id": 1148, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MEK1_Q02750_124_lig_smina_out.mol2", "protac_path": "1148_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCNCCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1628": {"pro_comp_id": 1148, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MEK2_P36507_124_lig_smina_out.mol2", "protac_path": "1148_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCNCCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1629": {"pro_comp_id": 1149, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MEK1_Q02750_124_lig_smina_out.mol2", "protac_path": "1149_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNCCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1630": {"pro_comp_id": 1149, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MEK2_P36507_124_lig_smina_out.mol2", "protac_path": "1149_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNCCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1631": {"pro_comp_id": 1150, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MEK1_Q02750_124_lig_smina_out.mol2", "protac_path": "1150_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNCCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1632": {"pro_comp_id": 1150, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MEK2_P36507_124_lig_smina_out.mol2", "protac_path": "1150_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNCCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1633": {"pro_comp_id": 1151, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MEK1_Q02750_124_lig_smina_out.mol2", "protac_path": "1151_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCNCCCONC(=O)C4=CC=C(F)C(F)=C4NC4=CC=C(I)C=C4F)=C3C2=O)C(=O)N1", "label": -1}, "1634": {"pro_comp_id": 1151, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MEK2_P36507_124_lig_smina_out.mol2", "protac_path": "1151_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCNCCCONC(=O)C4=CC=C(F)C(F)=C4NC4=CC=C(I)C=C4F)=C3C2=O)C(=O)N1", "label": -1}, "1635": {"pro_comp_id": 1152, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MEK1_Q02750_124_lig_smina_out.mol2", "protac_path": "1152_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCNCCCONC(=O)C4=CC=C(F)C(F)=C4NC4=CC=C(I)C=C4F)=C3C2=O)C(=O)N1", "label": -1}, "1636": {"pro_comp_id": 1152, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MEK2_P36507_124_lig_smina_out.mol2", "protac_path": "1152_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCNCCCONC(=O)C4=CC=C(F)C(F)=C4NC4=CC=C(I)C=C4F)=C3C2=O)C(=O)N1", "label": -1}, "1637": {"pro_comp_id": 1153, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MEK2_P36507_124_lig_smina_out.mol2", "protac_path": "1153_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNCCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": 1}, "1638": {"pro_comp_id": 1153, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MEK1_Q02750_124_lig_smina_out.mol2", "protac_path": "1153_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNCCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": 1}, "1639": {"pro_comp_id": 1154, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_85_lig_smina_out.mol2", "protac_path": "1154_protac.mol2", "smiles": "CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCN2C=C(CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1", "label": 1}, "1640": {"pro_comp_id": 1155, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_85_lig_smina_out.mol2", "protac_path": "1155_protac.mol2", "smiles": "CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCCN2C=C(CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1", "label": 1}, "1641": {"pro_comp_id": 1156, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_85_lig_smina_out.mol2", "protac_path": "1156_protac.mol2", "smiles": "CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCCCN2C=C(CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1", "label": 1}, "1642": {"pro_comp_id": 1157, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_85_lig_smina_out.mol2", "protac_path": "1157_protac.mol2", "smiles": "CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCCCCN2C=C(CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1", "label": 1}, "1643": {"pro_comp_id": 1157, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_85_lig_smina_out.mol2", "protac_path": "1157_protac.mol2", "smiles": "CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCCCCN2C=C(CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1", "label": 1}, "1644": {"pro_comp_id": 1158, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_85_lig_smina_out.mol2", "protac_path": "1158_protac.mol2", "smiles": "CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCCCCCN2C=C(CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1", "label": 0}, "1645": {"pro_comp_id": 1159, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_85_lig_smina_out.mol2", "protac_path": "1159_protac.mol2", "smiles": "CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCN2C=C(CCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1", "label": 1}, "1646": {"pro_comp_id": 1160, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_85_lig_smina_out.mol2", "protac_path": "1160_protac.mol2", "smiles": "CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCCN2C=C(CCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1", "label": 1}, "1647": {"pro_comp_id": 1161, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_85_lig_smina_out.mol2", "protac_path": "1161_protac.mol2", "smiles": "CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCCCN2C=C(CCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1", "label": 0}, "1648": {"pro_comp_id": 1162, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_85_lig_smina_out.mol2", "protac_path": "1162_protac.mol2", "smiles": "CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCN2C=C(CCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1", "label": 1}, "1649": {"pro_comp_id": 1163, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_85_lig_smina_out.mol2", "protac_path": "1163_protac.mol2", "smiles": "CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCCN2C=C(CCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1", "label": 0}, "1650": {"pro_comp_id": 1164, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_85_lig_smina_out.mol2", "protac_path": "1164_protac.mol2", "smiles": "CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCCCN2C=C(CCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1", "label": 0}, "1651": {"pro_comp_id": 1165, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_85_lig_smina_out.mol2", "protac_path": "1165_protac.mol2", "smiles": "CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCN2C=C(CNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)N=N2)C=C1", "label": 1}, "1652": {"pro_comp_id": 1166, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_85_lig_smina_out.mol2", "protac_path": "1166_protac.mol2", "smiles": "CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCCN2C=C(CNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)N=N2)C=C1", "label": 1}, "1653": {"pro_comp_id": 1167, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_85_lig_smina_out.mol2", "protac_path": "1167_protac.mol2", "smiles": "CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCCCN2C=C(CNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)N=N2)C=C1", "label": 1}, "1654": {"pro_comp_id": 1168, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_85_lig_smina_out.mol2", "protac_path": "1168_protac.mol2", "smiles": "CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCCCCN2C=C(CNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)N=N2)C=C1", "label": 1}, "1655": {"pro_comp_id": 1169, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_85_lig_smina_out.mol2", "protac_path": "1169_protac.mol2", "smiles": "CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCCCCCN2C=C(CNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)N=N2)C=C1", "label": 1}, "1656": {"pro_comp_id": 1170, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_85_lig_smina_out.mol2", "protac_path": "1170_protac.mol2", "smiles": "CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCN2C=C(CCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)N=N2)C=C1", "label": 1}, "1657": {"pro_comp_id": 1171, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_85_lig_smina_out.mol2", "protac_path": "1171_protac.mol2", "smiles": "CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCCN2C=C(CCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)N=N2)C=C1", "label": 1}, "1658": {"pro_comp_id": 1172, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_85_lig_smina_out.mol2", "protac_path": "1172_protac.mol2", "smiles": "CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCN2C=C(CCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N2)C=C1", "label": -1}, "1659": {"pro_comp_id": 1173, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_85_lig_smina_out.mol2", "protac_path": "1173_protac.mol2", "smiles": "CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCCN2C=C(CCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N2)C=C1", "label": -1}, "1660": {"pro_comp_id": 1174, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_85_lig_smina_out.mol2", "protac_path": "1174_protac.mol2", "smiles": "CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCCCN2C=C(CCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N2)C=C1", "label": -1}, "1661": {"pro_comp_id": 1175, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_85_lig_smina_out.mol2", "protac_path": "1175_protac.mol2", "smiles": "CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCCCCN2C=C(CCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N2)C=C1", "label": -1}, "1662": {"pro_comp_id": 1176, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_85_lig_smina_out.mol2", "protac_path": "1176_protac.mol2", "smiles": "CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCCCCCN2C=C(CCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N2)C=C1", "label": -1}, "1663": {"pro_comp_id": 1177, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_85_lig_smina_out.mol2", "protac_path": "1177_protac.mol2", "smiles": "CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCCCCCCN2C=C(CCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N2)C=C1", "label": -1}, "1664": {"pro_comp_id": 1178, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_85_lig_smina_out.mol2", "protac_path": "1178_protac.mol2", "smiles": "CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCCCCCCCN2C=C(CCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N2)C=C1", "label": -1}, "1665": {"pro_comp_id": 1179, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_85_lig_smina_out.mol2", "protac_path": "1179_protac.mol2", "smiles": "CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCCCCCCCCN2C=C(CCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N2)C=C1", "label": -1}, "1666": {"pro_comp_id": 1180, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_85_lig_smina_out.mol2", "protac_path": "1180_protac.mol2", "smiles": "CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCCCCCCCCCN2C=C(CCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N2)C=C1", "label": -1}, "1667": {"pro_comp_id": 1181, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_85_lig_smina_out.mol2", "protac_path": "1181_protac.mol2", "smiles": "CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCCCCCCCCCCN2C=C(CCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N2)C=C1", "label": 1}, "1668": {"pro_comp_id": 1182, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_85_lig_smina_out.mol2", "protac_path": "1182_protac.mol2", "smiles": "CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCCCCCCCCCCCN2C=C(CCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N2)C=C1", "label": 1}, "1669": {"pro_comp_id": 1183, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_85_lig_smina_out.mol2", "protac_path": "1183_protac.mol2", "smiles": "CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCCN2C=C(CCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N2)C=C1", "label": -1}, "1670": {"pro_comp_id": 1184, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_85_lig_smina_out.mol2", "protac_path": "1184_protac.mol2", "smiles": "CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCCN2C=C(CCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N2)C=C1", "label": -1}, "1671": {"pro_comp_id": 1185, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_85_lig_smina_out.mol2", "protac_path": "1185_protac.mol2", "smiles": "CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCOCCN2C=C(CCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N2)C=C1", "label": -1}, "1672": {"pro_comp_id": 1186, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_85_lig_smina_out.mol2", "protac_path": "1186_protac.mol2", "smiles": "CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCOCCOCCN2C=C(CCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N2)C=C1", "label": -1}, "1673": {"pro_comp_id": 1187, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_125_lig_smina_out.mol2", "protac_path": "1187_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=C2SC(C(=N)NC2CCS(=O)(=O)CC2)=C3)=CC=C1OCC(=O)NCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1674": {"pro_comp_id": 1188, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_125_lig_smina_out.mol2", "protac_path": "1188_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=C2SC(C(=N)NC2CCS(=O)(=O)CC2)=C3)=CC=C1OCC(=O)NCCCCCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1675": {"pro_comp_id": 1189, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_125_lig_smina_out.mol2", "protac_path": "1189_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=C2SC(C(=N)NC2CCS(=O)(=O)CC2)=C3)=CC=C1OCC(=O)NCCCOCCOCCOCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1676": {"pro_comp_id": 1190, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_125_lig_smina_out.mol2", "protac_path": "1190_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=C2SC(C(=N)NC2CCS(=O)(=O)CC2)=C3)=CC=C1OCC(=O)NCCCCCCOC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1677": {"pro_comp_id": 1191, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_125_lig_smina_out.mol2", "protac_path": "1191_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=C2SC(C(=N)NC2CCS(=O)(=O)CC2)=C3)=CC=C1OCC(=O)N1CCC(C2CCN(C(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1", "label": -1}, "1678": {"pro_comp_id": 1192, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_125_lig_smina_out.mol2", "protac_path": "1192_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=C2SC(C(=N)NC2CCS(=O)(=O)CC2)=C3)=CC=C1OCC(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C", "label": -1}, "1679": {"pro_comp_id": 1193, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_125_lig_smina_out.mol2", "protac_path": "1193_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=C2SC(C(=N)NC2CCS(=O)(=O)CC2)=C3)=CC=C1OCC(=O)NCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C", "label": -1}, "1680": {"pro_comp_id": 1194, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_125_lig_smina_out.mol2", "protac_path": "1194_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=C2SC(C(=N)NC2CCS(=O)(=O)CC2)=C3)=CC=C1OCC(=O)NCCCCCCCCNC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1", "label": -1}, "1681": {"pro_comp_id": 1195, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_125_lig_smina_out.mol2", "protac_path": "1195_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=C2SC(C(=N)NC2CCS(=O)(=O)CC2)=C3)=CC=C1OCC(=O)NCCCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1682": {"pro_comp_id": 1196, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_125_lig_smina_out.mol2", "protac_path": "1196_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=C2SC(C(=N)NC2CCS(=O)(=O)CC2)=C3)=CC=C1OCC(=O)NCCCCCCCCNC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1683": {"pro_comp_id": 1196, "tar_path": "BRD7_Q9NPI1.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD7_Q9NPI1_125_lig_smina_out.mol2", "protac_path": "1196_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=C2SC(C(=N)NC2CCS(=O)(=O)CC2)=C3)=CC=C1OCC(=O)NCCCCCCCCNC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1684": {"pro_comp_id": 1196, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_125_lig_smina_out.mol2", "protac_path": "1196_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=C2SC(C(=N)NC2CCS(=O)(=O)CC2)=C3)=CC=C1OCC(=O)NCCCCCCCCNC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1685": {"pro_comp_id": 1197, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_125_lig_smina_out.mol2", "protac_path": "1197_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN(C)CC(=O)NCCCCCCNC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1", "label": -1}, "1686": {"pro_comp_id": 1198, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_125_lig_smina_out.mol2", "protac_path": "1198_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN(C)CC(=O)NCCCCCCCCNC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1687": {"pro_comp_id": 1199, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_125_lig_smina_out.mol2", "protac_path": "1199_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN(C)CC(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C", "label": -1}, "1688": {"pro_comp_id": 1200, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_125_lig_smina_out.mol2", "protac_path": "1200_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN(C)CC(=O)NCCCCCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1689": {"pro_comp_id": 1201, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_125_lig_smina_out.mol2", "protac_path": "1201_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN(C)CC(=O)NCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1690": {"pro_comp_id": 1201, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_125_lig_smina_out.mol2", "protac_path": "1201_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN(C)CC(=O)NCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1691": {"pro_comp_id": 1201, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_125_lig_smina_out.mol2", "protac_path": "1201_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN(C)CC(=O)NCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1692": {"pro_comp_id": 1202, "tar_path": "Htt_P42858.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_38_lig_smina_out.mol2", "war_path": "Htt_P42858_126_lig_smina_out.mol2", "protac_path": "1202_protac.mol2", "smiles": "CC1=CC=C2N=C(C3=CC=C(NCCOCCOCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CC4=CC=CC=C4)C=C3)SC2=C1", "label": -1}, "1693": {"pro_comp_id": 1203, "tar_path": "Htt_P42858.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_38_lig_smina_out.mol2", "war_path": "Htt_P42858_127_lig_smina_out.mol2", "protac_path": "1203_protac.mol2", "smiles": "CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CC1=CC=CC=C1)C(=O)NCCOCCOCCOC1=CC=C2N=C(/N=N/C3=CC=C(N(C)C)C=C3)SC2=C1", "label": -1}, "1694": {"pro_comp_id": 1204, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK2_P24941_128_lig_smina_out.mol2", "protac_path": "1204_protac.mol2", "smiles": "NC(=O)C1=C(F)C=CC=C1NC1=NC(NC2CCN(S(=O)(=O)CCNC(=O)CCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=NC=C1Br", "label": -1}, "1695": {"pro_comp_id": 1205, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK2_P24941_128_lig_smina_out.mol2", "protac_path": "1205_protac.mol2", "smiles": "NC(=O)C1=C(F)C=CC=C1NC1=NC(NC2CCN(S(=O)(=O)CCNC(=O)CCOCCOCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=NC=C1Br", "label": -1}, "1696": {"pro_comp_id": 1206, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK2_P24941_128_lig_smina_out.mol2", "protac_path": "1206_protac.mol2", "smiles": "NC(=O)C1=C(F)C=CC=C1NC1=NC(NC2CCN(S(=O)(=O)CCNC(=O)CCOCCOCCOCCOCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=NC=C1Br", "label": -1}, "1697": {"pro_comp_id": 1207, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK2_P24941_128_lig_smina_out.mol2", "protac_path": "1207_protac.mol2", "smiles": "NC(=O)C1=C(F)C=CC=C1NC1=NC(NC2CCN(S(=O)(=O)CCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=NC=C1Br", "label": -1}, "1698": {"pro_comp_id": 1208, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK2_P24941_128_lig_smina_out.mol2", "protac_path": "1208_protac.mol2", "smiles": "NC(=O)C1=C(F)C=CC=C1NC1=NC(NC2CCN(S(=O)(=O)CCNC(=O)CCCCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=NC=C1Br", "label": -1}, "1699": {"pro_comp_id": 1209, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK2_P24941_128_lig_smina_out.mol2", "protac_path": "1209_protac.mol2", "smiles": "NC(=O)C1=C(F)C=CC=C1NC1=NC(NC2CCN(S(=O)(=O)CCNC(=O)CCCCCCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=NC=C1Br", "label": -1}, "1700": {"pro_comp_id": 1210, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK2_P24941_128_lig_smina_out.mol2", "protac_path": "1210_protac.mol2", "smiles": "NC(=O)C1=C(F)C=CC=C1NC1=NC(NC2CCN(S(=O)(=O)CCNC(=O)CCCCCCCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=NC=C1Br", "label": -1}, "1701": {"pro_comp_id": 1210, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK4_P11802_128_lig_smina_out.mol2", "protac_path": "1210_protac.mol2", "smiles": "NC(=O)C1=C(F)C=CC=C1NC1=NC(NC2CCN(S(=O)(=O)CCNC(=O)CCCCCCCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=NC=C1Br", "label": -1}, "1702": {"pro_comp_id": 1210, "tar_path": "CDK5_Q00535.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK5_Q00535_128_lig_smina_out.mol2", "protac_path": "1210_protac.mol2", "smiles": "NC(=O)C1=C(F)C=CC=C1NC1=NC(NC2CCN(S(=O)(=O)CCNC(=O)CCCCCCCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=NC=C1Br", "label": -1}, "1703": {"pro_comp_id": 1210, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK6_Q00534_128_lig_smina_out.mol2", "protac_path": "1210_protac.mol2", "smiles": "NC(=O)C1=C(F)C=CC=C1NC1=NC(NC2CCN(S(=O)(=O)CCNC(=O)CCCCCCCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=NC=C1Br", "label": -1}, "1704": {"pro_comp_id": 1210, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AURKA_O14965_128_lig_smina_out.mol2", "protac_path": "1210_protac.mol2", "smiles": "NC(=O)C1=C(F)C=CC=C1NC1=NC(NC2CCN(S(=O)(=O)CCNC(=O)CCCCCCCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=NC=C1Br", "label": -1}, "1705": {"pro_comp_id": 1210, "tar_path": "CDK1_P06493.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK1_P06493_128_lig_smina_out.mol2", "protac_path": "1210_protac.mol2", "smiles": "NC(=O)C1=C(F)C=CC=C1NC1=NC(NC2CCN(S(=O)(=O)CCNC(=O)CCCCCCCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=NC=C1Br", "label": -1}, "1706": {"pro_comp_id": 1210, "tar_path": "MAPK8_P45983.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MAPK8_P45983_128_lig_smina_out.mol2", "protac_path": "1210_protac.mol2", "smiles": "NC(=O)C1=C(F)C=CC=C1NC1=NC(NC2CCN(S(=O)(=O)CCNC(=O)CCCCCCCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=NC=C1Br", "label": -1}, "1707": {"pro_comp_id": 1210, "tar_path": "MAPK9_P45984.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MAPK9_P45984_128_lig_smina_out.mol2", "protac_path": "1210_protac.mol2", "smiles": "NC(=O)C1=C(F)C=CC=C1NC1=NC(NC2CCN(S(=O)(=O)CCNC(=O)CCCCCCCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=NC=C1Br", "label": -1}, "1708": {"pro_comp_id": 1210, "tar_path": "CDK7_P50613.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK7_P50613_128_lig_smina_out.mol2", "protac_path": "1210_protac.mol2", "smiles": "NC(=O)C1=C(F)C=CC=C1NC1=NC(NC2CCN(S(=O)(=O)CCNC(=O)CCCCCCCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=NC=C1Br", "label": -1}, "1709": {"pro_comp_id": 1210, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_128_lig_smina_out.mol2", "protac_path": "1210_protac.mol2", "smiles": "NC(=O)C1=C(F)C=CC=C1NC1=NC(NC2CCN(S(=O)(=O)CCNC(=O)CCCCCCCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=NC=C1Br", "label": -1}, "1710": {"pro_comp_id": 1210, "tar_path": "MAPK10_P53779.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MAPK10_P53779_128_lig_smina_out.mol2", "protac_path": "1210_protac.mol2", "smiles": "NC(=O)C1=C(F)C=CC=C1NC1=NC(NC2CCN(S(=O)(=O)CCNC(=O)CCCCCCCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=NC=C1Br", "label": -1}, "1711": {"pro_comp_id": 1210, "tar_path": "CDK16_Q00536.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK16_Q00536_128_lig_smina_out.mol2", "protac_path": "1210_protac.mol2", "smiles": "NC(=O)C1=C(F)C=CC=C1NC1=NC(NC2CCN(S(=O)(=O)CCNC(=O)CCCCCCCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=NC=C1Br", "label": -1}, "1712": {"pro_comp_id": 1210, "tar_path": "CDK17_Q00537.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK17_Q00537_128_lig_smina_out.mol2", "protac_path": "1210_protac.mol2", "smiles": "NC(=O)C1=C(F)C=CC=C1NC1=NC(NC2CCN(S(=O)(=O)CCNC(=O)CCCCCCCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=NC=C1Br", "label": -1}, "1713": {"pro_comp_id": 1210, "tar_path": "RPS6KA1_Q15418.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "RPS6KA1_Q15418_128_lig_smina_out.mol2", "protac_path": "1210_protac.mol2", "smiles": "NC(=O)C1=C(F)C=CC=C1NC1=NC(NC2CCN(S(=O)(=O)CCNC(=O)CCCCCCCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=NC=C1Br", "label": -1}, "1714": {"pro_comp_id": 1210, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_128_lig_smina_out.mol2", "protac_path": "1210_protac.mol2", "smiles": "NC(=O)C1=C(F)C=CC=C1NC1=NC(NC2CCN(S(=O)(=O)CCNC(=O)CCCCCCCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=NC=C1Br", "label": -1}, "1715": {"pro_comp_id": 1211, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK2_P24941_129_lig_smina_out.mol2", "protac_path": "1211_protac.mol2", "smiles": "NC(=O)C1=C(F)C=CC=C1NC1=NC(NC2=CC=C(S(=O)(=O)NCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=NC=C1Br", "label": -1}, "1716": {"pro_comp_id": 1211, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AURKA_O14965_129_lig_smina_out.mol2", "protac_path": "1211_protac.mol2", "smiles": "NC(=O)C1=C(F)C=CC=C1NC1=NC(NC2=CC=C(S(=O)(=O)NCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=NC=C1Br", "label": -1}, "1717": {"pro_comp_id": 1211, "tar_path": "NUAK1_O60285.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "NUAK1_O60285_129_lig_smina_out.mol2", "protac_path": "1211_protac.mol2", "smiles": "NC(=O)C1=C(F)C=CC=C1NC1=NC(NC2=CC=C(S(=O)(=O)NCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=NC=C1Br", "label": -1}, "1718": {"pro_comp_id": 1211, "tar_path": "CDK1_P06493.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK1_P06493_129_lig_smina_out.mol2", "protac_path": "1211_protac.mol2", "smiles": "NC(=O)C1=C(F)C=CC=C1NC1=NC(NC2=CC=C(S(=O)(=O)NCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=NC=C1Br", "label": -1}, "1719": {"pro_comp_id": 1211, "tar_path": "FER_P16591.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FER_P16591_129_lig_smina_out.mol2", "protac_path": "1211_protac.mol2", "smiles": "NC(=O)C1=C(F)C=CC=C1NC1=NC(NC2=CC=C(S(=O)(=O)NCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=NC=C1Br", "label": -1}, "1720": {"pro_comp_id": 1211, "tar_path": "TTK_P33981.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TTK_P33981_129_lig_smina_out.mol2", "protac_path": "1211_protac.mol2", "smiles": "NC(=O)C1=C(F)C=CC=C1NC1=NC(NC2=CC=C(S(=O)(=O)NCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=NC=C1Br", "label": -1}, "1721": {"pro_comp_id": 1211, "tar_path": "MAPK8_P45983.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MAPK8_P45983_129_lig_smina_out.mol2", "protac_path": "1211_protac.mol2", "smiles": "NC(=O)C1=C(F)C=CC=C1NC1=NC(NC2=CC=C(S(=O)(=O)NCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=NC=C1Br", "label": -1}, "1722": {"pro_comp_id": 1211, "tar_path": "MAPK9_P45984.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MAPK9_P45984_129_lig_smina_out.mol2", "protac_path": "1211_protac.mol2", "smiles": "NC(=O)C1=C(F)C=CC=C1NC1=NC(NC2=CC=C(S(=O)(=O)NCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=NC=C1Br", "label": -1}, "1723": {"pro_comp_id": 1211, "tar_path": "CLK1_P49759.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CLK1_P49759_129_lig_smina_out.mol2", "protac_path": "1211_protac.mol2", "smiles": "NC(=O)C1=C(F)C=CC=C1NC1=NC(NC2=CC=C(S(=O)(=O)NCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=NC=C1Br", "label": -1}, "1724": {"pro_comp_id": 1211, "tar_path": "GSK3A_P49840.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK3A_P49840_129_lig_smina_out.mol2", "protac_path": "1211_protac.mol2", "smiles": "NC(=O)C1=C(F)C=CC=C1NC1=NC(NC2=CC=C(S(=O)(=O)NCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=NC=C1Br", "label": -1}, "1725": {"pro_comp_id": 1211, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_129_lig_smina_out.mol2", "protac_path": "1211_protac.mol2", "smiles": "NC(=O)C1=C(F)C=CC=C1NC1=NC(NC2=CC=C(S(=O)(=O)NCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=NC=C1Br", "label": -1}, "1726": {"pro_comp_id": 1211, "tar_path": "CDK7_P50613.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK7_P50613_129_lig_smina_out.mol2", "protac_path": "1211_protac.mol2", "smiles": "NC(=O)C1=C(F)C=CC=C1NC1=NC(NC2=CC=C(S(=O)(=O)NCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=NC=C1Br", "label": -1}, "1727": {"pro_comp_id": 1211, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK9_P50750_129_lig_smina_out.mol2", "protac_path": "1211_protac.mol2", "smiles": "NC(=O)C1=C(F)C=CC=C1NC1=NC(NC2=CC=C(S(=O)(=O)NCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=NC=C1Br", "label": -1}, "1728": {"pro_comp_id": 1211, "tar_path": "RPS6KA3_P51812.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "RPS6KA3_P51812_129_lig_smina_out.mol2", "protac_path": "1211_protac.mol2", "smiles": "NC(=O)C1=C(F)C=CC=C1NC1=NC(NC2=CC=C(S(=O)(=O)NCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=NC=C1Br", "label": -1}, "1729": {"pro_comp_id": 1211, "tar_path": "PRKAA2_P54646.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PRKAA2_P54646_129_lig_smina_out.mol2", "protac_path": "1211_protac.mol2", "smiles": "NC(=O)C1=C(F)C=CC=C1NC1=NC(NC2=CC=C(S(=O)(=O)NCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=NC=C1Br", "label": -1}, "1730": {"pro_comp_id": 1211, "tar_path": "CDK5_Q00535.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK5_Q00535_129_lig_smina_out.mol2", "protac_path": "1211_protac.mol2", "smiles": "NC(=O)C1=C(F)C=CC=C1NC1=NC(NC2=CC=C(S(=O)(=O)NCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=NC=C1Br", "label": -1}, "1731": {"pro_comp_id": 1211, "tar_path": "CDK16_Q00536.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK16_Q00536_129_lig_smina_out.mol2", "protac_path": "1211_protac.mol2", "smiles": "NC(=O)C1=C(F)C=CC=C1NC1=NC(NC2=CC=C(S(=O)(=O)NCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=NC=C1Br", "label": -1}, "1732": {"pro_comp_id": 1211, "tar_path": "CDK17_Q00537.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK17_Q00537_129_lig_smina_out.mol2", "protac_path": "1211_protac.mol2", "smiles": "NC(=O)C1=C(F)C=CC=C1NC1=NC(NC2=CC=C(S(=O)(=O)NCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=NC=C1Br", "label": -1}, "1733": {"pro_comp_id": 1211, "tar_path": "PRKAA1_Q13131.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PRKAA1_Q13131_129_lig_smina_out.mol2", "protac_path": "1211_protac.mol2", "smiles": "NC(=O)C1=C(F)C=CC=C1NC1=NC(NC2=CC=C(S(=O)(=O)NCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=NC=C1Br", "label": -1}, "1734": {"pro_comp_id": 1211, "tar_path": "PTK2B_Q14289.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PTK2B_Q14289_129_lig_smina_out.mol2", "protac_path": "1211_protac.mol2", "smiles": "NC(=O)C1=C(F)C=CC=C1NC1=NC(NC2=CC=C(S(=O)(=O)NCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=NC=C1Br", "label": -1}, "1735": {"pro_comp_id": 1211, "tar_path": "STK38_Q15208.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STK38_Q15208_129_lig_smina_out.mol2", "protac_path": "1211_protac.mol2", "smiles": "NC(=O)C1=C(F)C=CC=C1NC1=NC(NC2=CC=C(S(=O)(=O)NCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=NC=C1Br", "label": -1}, "1736": {"pro_comp_id": 1211, "tar_path": "RPS6KA1_Q15418.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "RPS6KA1_Q15418_129_lig_smina_out.mol2", "protac_path": "1211_protac.mol2", "smiles": "NC(=O)C1=C(F)C=CC=C1NC1=NC(NC2=CC=C(S(=O)(=O)NCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=NC=C1Br", "label": -1}, "1737": {"pro_comp_id": 1211, "tar_path": "MAP3K11_Q16584.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MAP3K11_Q16584_129_lig_smina_out.mol2", "protac_path": "1211_protac.mol2", "smiles": "NC(=O)C1=C(F)C=CC=C1NC1=NC(NC2=CC=C(S(=O)(=O)NCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=NC=C1Br", "label": -1}, "1738": {"pro_comp_id": 1211, "tar_path": "AAK1_Q2M2I8.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AAK1_Q2M2I8_129_lig_smina_out.mol2", "protac_path": "1211_protac.mol2", "smiles": "NC(=O)C1=C(F)C=CC=C1NC1=NC(NC2=CC=C(S(=O)(=O)NCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=NC=C1Br", "label": -1}, "1739": {"pro_comp_id": 1211, "tar_path": "AURKB_Q96GD4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AURKB_Q96GD4_129_lig_smina_out.mol2", "protac_path": "1211_protac.mol2", "smiles": "NC(=O)C1=C(F)C=CC=C1NC1=NC(NC2=CC=C(S(=O)(=O)NCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=NC=C1Br", "label": -1}, "1740": {"pro_comp_id": 1211, "tar_path": "STK33_Q9BYT3.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STK33_Q9BYT3_129_lig_smina_out.mol2", "protac_path": "1211_protac.mol2", "smiles": "NC(=O)C1=C(F)C=CC=C1NC1=NC(NC2=CC=C(S(=O)(=O)NCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=NC=C1Br", "label": -1}, "1741": {"pro_comp_id": 1211, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_129_lig_smina_out.mol2", "protac_path": "1211_protac.mol2", "smiles": "NC(=O)C1=C(F)C=CC=C1NC1=NC(NC2=CC=C(S(=O)(=O)NCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=NC=C1Br", "label": -1}, "1742": {"pro_comp_id": 1211, "tar_path": "IRAK3_Q9Y616.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IRAK3_Q9Y616_129_lig_smina_out.mol2", "protac_path": "1211_protac.mol2", "smiles": "NC(=O)C1=C(F)C=CC=C1NC1=NC(NC2=CC=C(S(=O)(=O)NCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=NC=C1Br", "label": -1}, "1743": {"pro_comp_id": 1212, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK2_P24941_130_lig_smina_out.mol2", "protac_path": "1212_protac.mol2", "smiles": "CC1=CC(S(=O)(=O)NCCOCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=CC=C1NC1=NC=C(Br)C(NC2=CC=CC(F)=C2C(N)=O)=N1", "label": -1}, "1744": {"pro_comp_id": 1212, "tar_path": "CDK5_Q00535.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK5_Q00535_130_lig_smina_out.mol2", "protac_path": "1212_protac.mol2", "smiles": "CC1=CC(S(=O)(=O)NCCOCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=CC=C1NC1=NC=C(Br)C(NC2=CC=CC(F)=C2C(N)=O)=N1", "label": -1}, "1745": {"pro_comp_id": 1212, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AURKA_O14965_130_lig_smina_out.mol2", "protac_path": "1212_protac.mol2", "smiles": "CC1=CC(S(=O)(=O)NCCOCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=CC=C1NC1=NC=C(Br)C(NC2=CC=CC(F)=C2C(N)=O)=N1", "label": -1}, "1746": {"pro_comp_id": 1212, "tar_path": "CDK1_P06493.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK1_P06493_130_lig_smina_out.mol2", "protac_path": "1212_protac.mol2", "smiles": "CC1=CC(S(=O)(=O)NCCOCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=CC=C1NC1=NC=C(Br)C(NC2=CC=CC(F)=C2C(N)=O)=N1", "label": -1}, "1747": {"pro_comp_id": 1212, "tar_path": "TTK_P33981.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TTK_P33981_130_lig_smina_out.mol2", "protac_path": "1212_protac.mol2", "smiles": "CC1=CC(S(=O)(=O)NCCOCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=CC=C1NC1=NC=C(Br)C(NC2=CC=CC(F)=C2C(N)=O)=N1", "label": -1}, "1748": {"pro_comp_id": 1212, "tar_path": "MAPK8_P45983.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MAPK8_P45983_130_lig_smina_out.mol2", "protac_path": "1212_protac.mol2", "smiles": "CC1=CC(S(=O)(=O)NCCOCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=CC=C1NC1=NC=C(Br)C(NC2=CC=CC(F)=C2C(N)=O)=N1", "label": -1}, "1749": {"pro_comp_id": 1212, "tar_path": "MAPK9_P45984.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MAPK9_P45984_130_lig_smina_out.mol2", "protac_path": "1212_protac.mol2", "smiles": "CC1=CC(S(=O)(=O)NCCOCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=CC=C1NC1=NC=C(Br)C(NC2=CC=CC(F)=C2C(N)=O)=N1", "label": -1}, "1750": {"pro_comp_id": 1212, "tar_path": "RPS6KA3_P51812.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "RPS6KA3_P51812_130_lig_smina_out.mol2", "protac_path": "1212_protac.mol2", "smiles": "CC1=CC(S(=O)(=O)NCCOCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=CC=C1NC1=NC=C(Br)C(NC2=CC=CC(F)=C2C(N)=O)=N1", "label": -1}, "1751": {"pro_comp_id": 1212, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_130_lig_smina_out.mol2", "protac_path": "1212_protac.mol2", "smiles": "CC1=CC(S(=O)(=O)NCCOCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=CC=C1NC1=NC=C(Br)C(NC2=CC=CC(F)=C2C(N)=O)=N1", "label": -1}, "1752": {"pro_comp_id": 1212, "tar_path": "RPS6KA1_Q15418.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "RPS6KA1_Q15418_130_lig_smina_out.mol2", "protac_path": "1212_protac.mol2", "smiles": "CC1=CC(S(=O)(=O)NCCOCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=CC=C1NC1=NC=C(Br)C(NC2=CC=CC(F)=C2C(N)=O)=N1", "label": -1}, "1753": {"pro_comp_id": 1212, "tar_path": "AURKB_Q96GD4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AURKB_Q96GD4_130_lig_smina_out.mol2", "protac_path": "1212_protac.mol2", "smiles": "CC1=CC(S(=O)(=O)NCCOCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=CC=C1NC1=NC=C(Br)C(NC2=CC=CC(F)=C2C(N)=O)=N1", "label": -1}, "1754": {"pro_comp_id": 1212, "tar_path": "STK33_Q9BYT3.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STK33_Q9BYT3_130_lig_smina_out.mol2", "protac_path": "1212_protac.mol2", "smiles": "CC1=CC(S(=O)(=O)NCCOCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=CC=C1NC1=NC=C(Br)C(NC2=CC=CC(F)=C2C(N)=O)=N1", "label": -1}, "1755": {"pro_comp_id": 1213, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK2_P24941_131_lig_smina_out.mol2", "protac_path": "1213_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Br)C(NC3=CC=CC(F)=C3C(N)=O)=N2)=CC=C1S(=O)(=O)NCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1756": {"pro_comp_id": 1213, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AURKA_O14965_131_lig_smina_out.mol2", "protac_path": "1213_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Br)C(NC3=CC=CC(F)=C3C(N)=O)=N2)=CC=C1S(=O)(=O)NCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1757": {"pro_comp_id": 1213, "tar_path": "NUAK1_O60285.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "NUAK1_O60285_131_lig_smina_out.mol2", "protac_path": "1213_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Br)C(NC3=CC=CC(F)=C3C(N)=O)=N2)=CC=C1S(=O)(=O)NCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1758": {"pro_comp_id": 1213, "tar_path": "RPS6KA4_O75676.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "RPS6KA4_O75676_131_lig_smina_out.mol2", "protac_path": "1213_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Br)C(NC3=CC=CC(F)=C3C(N)=O)=N2)=CC=C1S(=O)(=O)NCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1759": {"pro_comp_id": 1213, "tar_path": "CDK1_P06493.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK1_P06493_131_lig_smina_out.mol2", "protac_path": "1213_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Br)C(NC3=CC=CC(F)=C3C(N)=O)=N2)=CC=C1S(=O)(=O)NCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1760": {"pro_comp_id": 1213, "tar_path": "FER_P16591.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FER_P16591_131_lig_smina_out.mol2", "protac_path": "1213_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Br)C(NC3=CC=CC(F)=C3C(N)=O)=N2)=CC=C1S(=O)(=O)NCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1761": {"pro_comp_id": 1213, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Wee1_P30291_131_lig_smina_out.mol2", "protac_path": "1213_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Br)C(NC3=CC=CC(F)=C3C(N)=O)=N2)=CC=C1S(=O)(=O)NCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1762": {"pro_comp_id": 1213, "tar_path": "TTK_P33981.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TTK_P33981_131_lig_smina_out.mol2", "protac_path": "1213_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Br)C(NC3=CC=CC(F)=C3C(N)=O)=N2)=CC=C1S(=O)(=O)NCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1763": {"pro_comp_id": 1213, "tar_path": "TEC_P42680.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TEC_P42680_131_lig_smina_out.mol2", "protac_path": "1213_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Br)C(NC3=CC=CC(F)=C3C(N)=O)=N2)=CC=C1S(=O)(=O)NCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1764": {"pro_comp_id": 1213, "tar_path": "MAPK8_P45983.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MAPK8_P45983_131_lig_smina_out.mol2", "protac_path": "1213_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Br)C(NC3=CC=CC(F)=C3C(N)=O)=N2)=CC=C1S(=O)(=O)NCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1765": {"pro_comp_id": 1213, "tar_path": "MAPK9_P45984.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MAPK9_P45984_131_lig_smina_out.mol2", "protac_path": "1213_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Br)C(NC3=CC=CC(F)=C3C(N)=O)=N2)=CC=C1S(=O)(=O)NCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1766": {"pro_comp_id": 1213, "tar_path": "CLK1_P49759.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CLK1_P49759_131_lig_smina_out.mol2", "protac_path": "1213_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Br)C(NC3=CC=CC(F)=C3C(N)=O)=N2)=CC=C1S(=O)(=O)NCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1767": {"pro_comp_id": 1213, "tar_path": "GSK3A_P49840.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK3A_P49840_131_lig_smina_out.mol2", "protac_path": "1213_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Br)C(NC3=CC=CC(F)=C3C(N)=O)=N2)=CC=C1S(=O)(=O)NCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1768": {"pro_comp_id": 1213, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_131_lig_smina_out.mol2", "protac_path": "1213_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Br)C(NC3=CC=CC(F)=C3C(N)=O)=N2)=CC=C1S(=O)(=O)NCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1769": {"pro_comp_id": 1213, "tar_path": "CDK7_P50613.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK7_P50613_131_lig_smina_out.mol2", "protac_path": "1213_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Br)C(NC3=CC=CC(F)=C3C(N)=O)=N2)=CC=C1S(=O)(=O)NCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1770": {"pro_comp_id": 1213, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK9_P50750_131_lig_smina_out.mol2", "protac_path": "1213_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Br)C(NC3=CC=CC(F)=C3C(N)=O)=N2)=CC=C1S(=O)(=O)NCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1771": {"pro_comp_id": 1213, "tar_path": "RPS6KA3_P51812.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "RPS6KA3_P51812_131_lig_smina_out.mol2", "protac_path": "1213_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Br)C(NC3=CC=CC(F)=C3C(N)=O)=N2)=CC=C1S(=O)(=O)NCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1772": {"pro_comp_id": 1213, "tar_path": "NEK3_P51956.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "NEK3_P51956_131_lig_smina_out.mol2", "protac_path": "1213_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Br)C(NC3=CC=CC(F)=C3C(N)=O)=N2)=CC=C1S(=O)(=O)NCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1773": {"pro_comp_id": 1213, "tar_path": "NEK4_P51957.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "NEK4_P51957_131_lig_smina_out.mol2", "protac_path": "1213_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Br)C(NC3=CC=CC(F)=C3C(N)=O)=N2)=CC=C1S(=O)(=O)NCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1774": {"pro_comp_id": 1213, "tar_path": "PRKAA2_P54646.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PRKAA2_P54646_131_lig_smina_out.mol2", "protac_path": "1213_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Br)C(NC3=CC=CC(F)=C3C(N)=O)=N2)=CC=C1S(=O)(=O)NCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1775": {"pro_comp_id": 1213, "tar_path": "CDK5_Q00535.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK5_Q00535_131_lig_smina_out.mol2", "protac_path": "1213_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Br)C(NC3=CC=CC(F)=C3C(N)=O)=N2)=CC=C1S(=O)(=O)NCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1776": {"pro_comp_id": 1213, "tar_path": "CDK16_Q00536.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK16_Q00536_131_lig_smina_out.mol2", "protac_path": "1213_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Br)C(NC3=CC=CC(F)=C3C(N)=O)=N2)=CC=C1S(=O)(=O)NCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1777": {"pro_comp_id": 1213, "tar_path": "CDK17_Q00537.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK17_Q00537_131_lig_smina_out.mol2", "protac_path": "1213_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Br)C(NC3=CC=CC(F)=C3C(N)=O)=N2)=CC=C1S(=O)(=O)NCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1778": {"pro_comp_id": 1213, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_131_lig_smina_out.mol2", "protac_path": "1213_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Br)C(NC3=CC=CC(F)=C3C(N)=O)=N2)=CC=C1S(=O)(=O)NCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1779": {"pro_comp_id": 1213, "tar_path": "PRKAA1_Q13131.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PRKAA1_Q13131_131_lig_smina_out.mol2", "protac_path": "1213_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Br)C(NC3=CC=CC(F)=C3C(N)=O)=N2)=CC=C1S(=O)(=O)NCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1780": {"pro_comp_id": 1213, "tar_path": "PTK2B_Q14289.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PTK2B_Q14289_131_lig_smina_out.mol2", "protac_path": "1213_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Br)C(NC3=CC=CC(F)=C3C(N)=O)=N2)=CC=C1S(=O)(=O)NCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1781": {"pro_comp_id": 1213, "tar_path": "STK38_Q15208.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STK38_Q15208_131_lig_smina_out.mol2", "protac_path": "1213_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Br)C(NC3=CC=CC(F)=C3C(N)=O)=N2)=CC=C1S(=O)(=O)NCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1782": {"pro_comp_id": 1213, "tar_path": "RPS6KA1_Q15418.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "RPS6KA1_Q15418_131_lig_smina_out.mol2", "protac_path": "1213_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Br)C(NC3=CC=CC(F)=C3C(N)=O)=N2)=CC=C1S(=O)(=O)NCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1783": {"pro_comp_id": 1213, "tar_path": "MAP3K11_Q16584.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MAP3K11_Q16584_131_lig_smina_out.mol2", "protac_path": "1213_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Br)C(NC3=CC=CC(F)=C3C(N)=O)=N2)=CC=C1S(=O)(=O)NCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1784": {"pro_comp_id": 1213, "tar_path": "AAK1_Q2M2I8.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AAK1_Q2M2I8_131_lig_smina_out.mol2", "protac_path": "1213_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Br)C(NC3=CC=CC(F)=C3C(N)=O)=N2)=CC=C1S(=O)(=O)NCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1785": {"pro_comp_id": 1213, "tar_path": "NEK9_Q8TD19.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "NEK9_Q8TD19_131_lig_smina_out.mol2", "protac_path": "1213_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Br)C(NC3=CC=CC(F)=C3C(N)=O)=N2)=CC=C1S(=O)(=O)NCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1786": {"pro_comp_id": 1213, "tar_path": "STK35_Q8TDR2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STK35_Q8TDR2_131_lig_smina_out.mol2", "protac_path": "1213_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Br)C(NC3=CC=CC(F)=C3C(N)=O)=N2)=CC=C1S(=O)(=O)NCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1787": {"pro_comp_id": 1213, "tar_path": "AURKB_Q96GD4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AURKB_Q96GD4_131_lig_smina_out.mol2", "protac_path": "1213_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Br)C(NC3=CC=CC(F)=C3C(N)=O)=N2)=CC=C1S(=O)(=O)NCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1788": {"pro_comp_id": 1213, "tar_path": "NEK1_Q96PY6.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "NEK1_Q96PY6_131_lig_smina_out.mol2", "protac_path": "1213_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Br)C(NC3=CC=CC(F)=C3C(N)=O)=N2)=CC=C1S(=O)(=O)NCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1789": {"pro_comp_id": 1213, "tar_path": "STK33_Q9BYT3.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STK33_Q9BYT3_131_lig_smina_out.mol2", "protac_path": "1213_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Br)C(NC3=CC=CC(F)=C3C(N)=O)=N2)=CC=C1S(=O)(=O)NCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1790": {"pro_comp_id": 1213, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_131_lig_smina_out.mol2", "protac_path": "1213_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Br)C(NC3=CC=CC(F)=C3C(N)=O)=N2)=CC=C1S(=O)(=O)NCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1791": {"pro_comp_id": 1213, "tar_path": "TBK1_Q9UHD2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TBK1_Q9UHD2_131_lig_smina_out.mol2", "protac_path": "1213_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Br)C(NC3=CC=CC(F)=C3C(N)=O)=N2)=CC=C1S(=O)(=O)NCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1792": {"pro_comp_id": 1213, "tar_path": "IRAK3_Q9Y616.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IRAK3_Q9Y616_131_lig_smina_out.mol2", "protac_path": "1213_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Br)C(NC3=CC=CC(F)=C3C(N)=O)=N2)=CC=C1S(=O)(=O)NCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1793": {"pro_comp_id": 1214, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_132_lig_smina_out.mol2", "protac_path": "1214_protac.mol2", "smiles": "CCS(=O)(=O)NC1=CC=C(OC2=CC=C(F)C=C2F)C(C2=CN(C)C(=O)C3=C2C=C(C(=O)NCC2=CN(CCOCC(=O)NC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)N=N2)[NH]3)=C1", "label": -1}, "1794": {"pro_comp_id": 1215, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_132_lig_smina_out.mol2", "protac_path": "1215_protac.mol2", "smiles": "CCS(=O)(=O)NC1=CC=C(OC2=CC=C(F)C=C2F)C(C2=CN(C)C(=O)C3=C2C=C(C(=O)NCC2=CN(CCOCCOCC(=O)NC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)N=N2)[NH]3)=C1", "label": -1}, "1795": {"pro_comp_id": 1216, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_132_lig_smina_out.mol2", "protac_path": "1216_protac.mol2", "smiles": "CCS(=O)(=O)NC1=CC=C(OC2=CC=C(F)C=C2F)C(C2=CN(C)C(=O)C3=C2C=C(C(=O)NCC2=CN(CCOCCOCCOCC(=O)NC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)N=N2)[NH]3)=C1", "label": -1}, "1796": {"pro_comp_id": 1217, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_132_lig_smina_out.mol2", "protac_path": "1217_protac.mol2", "smiles": "CCS(=O)(=O)NC1=CC=C(OC2=CC=C(F)C=C2F)C(C2=CN(C)C(=O)C3=C2C=C(C(=O)NCC2=CN(CCOCCOCCOCCOCC(=O)NC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)N=N2)[NH]3)=C1", "label": -1}, "1797": {"pro_comp_id": 1218, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_133_lig_smina_out.mol2", "protac_path": "1218_protac.mol2", "smiles": "C=CC(=O)NC1=CC(NC2=NC=CC(C3=CN(C)C4=CC=CC=C34)=N2)=C(OC)C=C1N(C)CCN(C)CCOCCOCC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1798": {"pro_comp_id": 1219, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_133_lig_smina_out.mol2", "protac_path": "1219_protac.mol2", "smiles": "C=CC(=O)NC1=CC(NC2=NC=CC(C3=CN(C)C4=CC=CC=C34)=N2)=C(OC)C=C1N(C)CCN(C)CCOCCOCCOCC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1799": {"pro_comp_id": 1220, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_133_lig_smina_out.mol2", "protac_path": "1220_protac.mol2", "smiles": "C=CC(=O)NC1=CC(NC2=NC=CC(C3=CN(C)C4=CC=CC=C34)=N2)=C(OC)C=C1N(C)CCN(C)CCOCCOCCOCCOCC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O", "label": 0}, "1800": {"pro_comp_id": 1221, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD2_P25440_134_lig_smina_out.mol2", "protac_path": "1221_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCOCCOCCOCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "1801": {"pro_comp_id": 1221, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD3_Q15059_134_lig_smina_out.mol2", "protac_path": "1221_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCOCCOCCOCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "1802": {"pro_comp_id": 1221, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_134_lig_smina_out.mol2", "protac_path": "1221_protac.mol2", "smiles": "CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCOCCOCCOCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2", "label": -1}, "1803": {"pro_comp_id": 1222, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_C481S_Q06187_135_lig_smina_out.mol2", "protac_path": "1222_protac.mol2", "smiles": "CC1=C(NC(=O)C2=CC=C(C(C)(C)C)C=C2)C=CC=C1C1=CN(C)C(=O)C(NC2=CC=C(C(=O)N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=N1", "label": -1}, "1804": {"pro_comp_id": 1222, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_C481S_Q06187_135_lig_smina_out.mol2", "protac_path": "1222_protac.mol2", "smiles": "CC1=C(NC(=O)C2=CC=C(C(C)(C)C)C=C2)C=CC=C1C1=CN(C)C(=O)C(NC2=CC=C(C(=O)N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=N1", "label": -1}, "1805": {"pro_comp_id": 1223, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_C481S_Q06187_135_lig_smina_out.mol2", "protac_path": "1223_protac.mol2", "smiles": "CC1=C(NC(=O)C2=CC=C(C(C)(C)C)C=C2)C=CC=C1C1=CN(C)C(=O)C(NC2=CC=C(C(=O)N3CCN(CCCCCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=N1", "label": -1}, "1806": {"pro_comp_id": 1223, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_C481S_Q06187_135_lig_smina_out.mol2", "protac_path": "1223_protac.mol2", "smiles": "CC1=C(NC(=O)C2=CC=C(C(C)(C)C)C=C2)C=CC=C1C1=CN(C)C(=O)C(NC2=CC=C(C(=O)N3CCN(CCCCCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=N1", "label": -1}, "1807": {"pro_comp_id": 1223, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_C481S_Q06187_135_lig_smina_out.mol2", "protac_path": "1223_protac.mol2", "smiles": "CC1=C(NC(=O)C2=CC=C(C(C)(C)C)C=C2)C=CC=C1C1=CN(C)C(=O)C(NC2=CC=C(C(=O)N3CCN(CCCCCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=N1", "label": -1}, "1808": {"pro_comp_id": 1224, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_C481S_Q06187_135_lig_smina_out.mol2", "protac_path": "1224_protac.mol2", "smiles": "CC1=C(NC(=O)C2=CC=C(C(C)(C)C)C=C2)C=CC=C1C1=CN(C)C(=O)C(NC2=CC=C(C(=O)N3CCN(CCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=N1", "label": -1}, "1809": {"pro_comp_id": 1225, "tar_path": "SLC9A1_P19634.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "SLC9A1_P19634_136_lig_smina_out.mol2", "protac_path": "1225_protac.mol2", "smiles": "CC1=CC(C2=CC=C(C(=O)NCCOCCOCCOCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2N2CCC(C3=C(C)N=C[NH]3)CC2)=CC=C1F", "label": -1}, "1810": {"pro_comp_id": 1226, "tar_path": "SLC9A1_P19634.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SLC9A1_P19634_136_lig_smina_out.mol2", "protac_path": "1226_protac.mol2", "smiles": "CC1=CC(C2=CC=C(C(=O)NCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2N2CCC(C3=C(C)N=C[NH]3)CC2)=CC=C1F", "label": -1}, "1815": {"pro_comp_id": 1227, "tar_path": "SLC9A1_P19634.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "SLC9A1_P19634_136_lig_smina_out.mol2", "protac_path": "1227_protac.mol2", "smiles": "CC1=CC(C2=CC=C(C(=O)NCCOCCCOCCCOCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2N2CCC(C3=C(C)N=C[NH]3)CC2)=CC=C1F", "label": -1}, "1816": {"pro_comp_id": 1228, "tar_path": "SLC9A1_P19634.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "SLC9A1_P19634_136_lig_smina_out.mol2", "protac_path": "1228_protac.mol2", "smiles": "CC1=CC(C2=CC=C(C(=O)NCCOCCOCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2N2CCC(C3=C(C)N=C[NH]3)CC2)=CC=C1F", "label": -1}, "1817": {"pro_comp_id": 1229, "tar_path": "SLC9A1_P19634.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "SLC9A1_P19634_136_lig_smina_out.mol2", "protac_path": "1229_protac.mol2", "smiles": "CC1=CC(C2=CC=C(C(=O)NCCCCCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2N2CCC(C3=C(C)N=C[NH]3)CC2)=CC=C1F", "label": -1}, "1818": {"pro_comp_id": 1230, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FLT3_P36888_36_lig_smina_out.mol2", "protac_path": "1230_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN4C(=N3)SC3=CC(OCCN5CCN(CCOCCOCCNC(=O)CNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)=CC=C34)C=C2)=NO1", "label": -1}, "1819": {"pro_comp_id": 1230, "tar_path": "GAK_O14976.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GAK_O14976_36_lig_smina_out.mol2", "protac_path": "1230_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN4C(=N3)SC3=CC(OCCN5CCN(CCOCCOCCNC(=O)CNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)=CC=C34)C=C2)=NO1", "label": -1}, "1820": {"pro_comp_id": 1230, "tar_path": "LCK_P06239.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "LCK_P06239_36_lig_smina_out.mol2", "protac_path": "1230_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN4C(=N3)SC3=CC(OCCN5CCN(CCOCCOCCNC(=O)CNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)=CC=C34)C=C2)=NO1", "label": -1}, "1821": {"pro_comp_id": 1230, "tar_path": "Src_P12931.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Src_P12931_36_lig_smina_out.mol2", "protac_path": "1230_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN4C(=N3)SC3=CC(OCCN5CCN(CCOCCOCCNC(=O)CNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)=CC=C34)C=C2)=NO1", "label": -1}, "1822": {"pro_comp_id": 1230, "tar_path": "FER_P16591.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FER_P16591_36_lig_smina_out.mol2", "protac_path": "1230_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN4C(=N3)SC3=CC(OCCN5CCN(CCOCCOCCNC(=O)CNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)=CC=C34)C=C2)=NO1", "label": -1}, "1823": {"pro_comp_id": 1230, "tar_path": "BLK_P51451.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BLK_P51451_36_lig_smina_out.mol2", "protac_path": "1230_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN4C(=N3)SC3=CC(OCCN5CCN(CCOCCOCCNC(=O)CNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)=CC=C34)C=C2)=NO1", "label": -1}, "1824": {"pro_comp_id": 1230, "tar_path": "IRAK1_P51617.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IRAK1_P51617_36_lig_smina_out.mol2", "protac_path": "1230_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN4C(=N3)SC3=CC(OCCN5CCN(CCOCCOCCNC(=O)CNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)=CC=C34)C=C2)=NO1", "label": -1}, "1825": {"pro_comp_id": 1230, "tar_path": "CDK5_Q00535.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK5_Q00535_36_lig_smina_out.mol2", "protac_path": "1230_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN4C(=N3)SC3=CC(OCCN5CCN(CCOCCOCCNC(=O)CNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)=CC=C34)C=C2)=NO1", "label": -1}, "1826": {"pro_comp_id": 1230, "tar_path": "MAP4K2_Q12851.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MAP4K2_Q12851_36_lig_smina_out.mol2", "protac_path": "1230_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN4C(=N3)SC3=CC(OCCN5CCN(CCOCCOCCNC(=O)CNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)=CC=C34)C=C2)=NO1", "label": -1}, "1827": {"pro_comp_id": 1230, "tar_path": "RIPK1_Q13546.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "RIPK1_Q13546_36_lig_smina_out.mol2", "protac_path": "1230_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN4C(=N3)SC3=CC(OCCN5CCN(CCOCCOCCNC(=O)CNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)=CC=C34)C=C2)=NO1", "label": -1}, "1828": {"pro_comp_id": 1230, "tar_path": "p38alpha_Q16539.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "p38alpha_Q16539_36_lig_smina_out.mol2", "protac_path": "1230_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN4C(=N3)SC3=CC(OCCN5CCN(CCOCCOCCNC(=O)CNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)=CC=C34)C=C2)=NO1", "label": -1}, "1829": {"pro_comp_id": 1231, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FLT3_P36888_36_lig_smina_out.mol2", "protac_path": "1231_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN4C(=N3)SC3=CC(OCCOCCOCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)=CC=C34)C=C2)=NO1", "label": 0}, "1830": {"pro_comp_id": 1232, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FLT3_P36888_36_lig_smina_out.mol2", "protac_path": "1232_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN4C(=N3)SC3=CC(OCCOCCOCCOCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)=CC=C34)C=C2)=NO1", "label": -1}, "1831": {"pro_comp_id": 1233, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FLT3_P36888_36_lig_smina_out.mol2", "protac_path": "1233_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN4C(=N3)SC3=CC(OCCN5CCN(C(=O)CCC(=O)NCCCCNC(=O)COC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)=CC=C34)C=C2)=NO1", "label": 0}, "1832": {"pro_comp_id": 1234, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FLT3_P36888_36_lig_smina_out.mol2", "protac_path": "1234_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN4C(=N3)SC3=CC(OCCN5CCN(C(=O)CCC(=O)NCCCCCCCCNC(=O)COC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)=CC=C34)C=C2)=NO1", "label": 0}, "1833": {"pro_comp_id": 1235, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FLT3_P36888_36_lig_smina_out.mol2", "protac_path": "1235_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN4C(=N3)SC3=CC(OCCN5CCN(C(=O)CCC(=O)NCCCOCCOCCOCCCNC(=O)COC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)=CC=C34)C=C2)=NO1", "label": 0}, "1834": {"pro_comp_id": 1236, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FLT3_P36888_36_lig_smina_out.mol2", "protac_path": "1236_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN4C(=N3)SC3=CC(OCCN5CCN(CC(=O)NCCCCNC(=O)COC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)=CC=C34)C=C2)=NO1", "label": 0}, "1835": {"pro_comp_id": 1237, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FLT3_P36888_36_lig_smina_out.mol2", "protac_path": "1237_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN4C(=N3)SC3=CC(OCCN5CCN(CC(=O)NCCCCCCCCNC(=O)COC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)=CC=C34)C=C2)=NO1", "label": 0}, "1836": {"pro_comp_id": 1238, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FLT3_P36888_36_lig_smina_out.mol2", "protac_path": "1238_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN4C(=N3)SC3=CC(OCCN5CCN(CC(=O)NCCCOCCOCCOCCCNC(=O)COC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)=CC=C34)C=C2)=NO1", "label": 0}, "1837": {"pro_comp_id": 1239, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_471_lig_smina_out.mol2", "protac_path": "1239_protac.mol2", "smiles": "COC1=CC(NC2=C(C#N)C=NC3=CC(OCCCN4CCN(CCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=C(OC)C=C23)=C(Cl)C=C1Cl", "label": -1}, "1838": {"pro_comp_id": 1240, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_137_lig_smina_out.mol2", "protac_path": "1240_protac.mol2", "smiles": "CN1C=C(C2=CC=CC(N3C=CC4=CC(C5CC5)=CC(F)=C4C3=O)=C2CO)C=C(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=N2)C1=O", "label": -1}, "1839": {"pro_comp_id": 1241, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Wee1_P30291_138_lig_smina_out.mol2", "protac_path": "1241_protac.mol2", "smiles": "C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CCCNC(=O)CCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1", "label": -1}, "1840": {"pro_comp_id": 1242, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Wee1_P30291_138_lig_smina_out.mol2", "protac_path": "1242_protac.mol2", "smiles": "C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1", "label": -1}, "1841": {"pro_comp_id": 1243, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Wee1_P30291_138_lig_smina_out.mol2", "protac_path": "1243_protac.mol2", "smiles": "C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1", "label": -1}, "1842": {"pro_comp_id": 1244, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Wee1_P30291_138_lig_smina_out.mol2", "protac_path": "1244_protac.mol2", "smiles": "C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1", "label": -1}, "1843": {"pro_comp_id": 1244, "tar_path": "PAK4_O96013.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PAK4_O96013_138_lig_smina_out.mol2", "protac_path": "1244_protac.mol2", "smiles": "C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1", "label": -1}, "1844": {"pro_comp_id": 1244, "tar_path": "PRKCI_P41743.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PRKCI_P41743_138_lig_smina_out.mol2", "protac_path": "1244_protac.mol2", "smiles": "C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1", "label": -1}, "1845": {"pro_comp_id": 1244, "tar_path": "PDK1_Q15118.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PDK1_Q15118_138_lig_smina_out.mol2", "protac_path": "1244_protac.mol2", "smiles": "C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1", "label": -1}, "1846": {"pro_comp_id": 1244, "tar_path": "PDK2_Q15119.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PDK2_Q15119_138_lig_smina_out.mol2", "protac_path": "1244_protac.mol2", "smiles": "C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1", "label": -1}, "1847": {"pro_comp_id": 1244, "tar_path": "PDK3_Q15120.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PDK3_Q15120_138_lig_smina_out.mol2", "protac_path": "1244_protac.mol2", "smiles": "C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1", "label": -1}, "1848": {"pro_comp_id": 1244, "tar_path": "COQ8A_Q8NI60.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "COQ8A_Q8NI60_138_lig_smina_out.mol2", "protac_path": "1244_protac.mol2", "smiles": "C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1", "label": -1}, "1849": {"pro_comp_id": 1244, "tar_path": "TBCK_Q8TEA7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TBCK_Q8TEA7_138_lig_smina_out.mol2", "protac_path": "1244_protac.mol2", "smiles": "C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1", "label": -1}, "1850": {"pro_comp_id": 1244, "tar_path": "MKNK2_Q9HBH9.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MKNK2_Q9HBH9_138_lig_smina_out.mol2", "protac_path": "1244_protac.mol2", "smiles": "C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1", "label": -1}, "1851": {"pro_comp_id": 1245, "tar_path": "PD-L1_Q9NZQ7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PD-L1_Q9NZQ7_139_lig_smina_out.mol2", "protac_path": "1245_protac.mol2", "smiles": "CC1=C(COC2=CC=C(CN3CCCCC3C(=O)NCCNC(=O)CCCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2Br)C=CC=C1C1=CC=CC=C1", "label": -1}, "1852": {"pro_comp_id": 1246, "tar_path": "PD-L1_Q9NZQ7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PD-L1_Q9NZQ7_139_lig_smina_out.mol2", "protac_path": "1246_protac.mol2", "smiles": "CC1=C(COC2=CC=C(CN3CCCCC3C(=O)N3CCN(C(=O)CCCC(=O)NC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2Br)C=CC=C1C1=CC=CC=C1", "label": -1}, "1853": {"pro_comp_id": 1247, "tar_path": "PD-L1_Q9NZQ7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PD-L1_Q9NZQ7_139_lig_smina_out.mol2", "protac_path": "1247_protac.mol2", "smiles": "CC1=C(COC2=CC=C(CN3CCCCC3C(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2Br)C=CC=C1C1=CC=CC=C1", "label": -1}, "1854": {"pro_comp_id": 1248, "tar_path": "PD-L1_Q9NZQ7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PD-L1_Q9NZQ7_140_lig_smina_out.mol2", "protac_path": "1248_protac.mol2", "smiles": "CC1=C(COC2=CC(OCC3=CC=CC(C#N)=C3)=C(CN3CCCCC3C(=O)NCCNC(=O)CCCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2Cl)C=CC=C1C1=CC=CC=C1", "label": -1}, "1855": {"pro_comp_id": 1249, "tar_path": "PD-L1_Q9NZQ7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PD-L1_Q9NZQ7_140_lig_smina_out.mol2", "protac_path": "1249_protac.mol2", "smiles": "CC1=C(COC2=CC(OCC3=CC=CC(C#N)=C3)=C(CN3CCCCC3C(=O)NCCCCNC(=O)CCCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2Cl)C=CC=C1C1=CC=CC=C1", "label": -1}, "1856": {"pro_comp_id": 1250, "tar_path": "PD-L1_Q9NZQ7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PD-L1_Q9NZQ7_140_lig_smina_out.mol2", "protac_path": "1250_protac.mol2", "smiles": "CC1=C(COC2=CC(OCC3=CC=CC(C#N)=C3)=C(CN3CCCCC3C(=O)NCCCNC(=O)CCCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2Cl)C=CC=C1C1=CC=CC=C1", "label": -1}, "1857": {"pro_comp_id": 1251, "tar_path": "PD-L1_Q9NZQ7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PD-L1_Q9NZQ7_140_lig_smina_out.mol2", "protac_path": "1251_protac.mol2", "smiles": "CC1=C(COC2=CC(OCC3=CC=CC(C#N)=C3)=C(CN3CCCCC3C(=O)NCCCCCNC(=O)CCCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2Cl)C=CC=C1C1=CC=CC=C1", "label": -1}, "1858": {"pro_comp_id": 1252, "tar_path": "PD-L1_Q9NZQ7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "PD-L1_Q9NZQ7_140_lig_smina_out.mol2", "protac_path": "1252_protac.mol2", "smiles": "CC1=C(COC2=CC(OCC3=CC=CC(C#N)=C3)=C(CN3CCCCC3C(=O)NCCNC(=O)CCCC(=O)NC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)C=C2Cl)C=CC=C1C1=CC=CC=C1", "label": -1}, "1859": {"pro_comp_id": 1253, "tar_path": "PD-L1_Q9NZQ7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PD-L1_Q9NZQ7_140_lig_smina_out.mol2", "protac_path": "1253_protac.mol2", "smiles": "CC1=C(COC2=CC(OCC3=CC=CC(C#N)=C3)=C(CN3CCCCC3C(=O)N3CCN(C(=O)CCCC(=O)NC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2Cl)C=CC=C1C1=CC=CC=C1", "label": -1}, "1860": {"pro_comp_id": 1254, "tar_path": "PD-L1_Q9NZQ7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PD-L1_Q9NZQ7_140_lig_smina_out.mol2", "protac_path": "1254_protac.mol2", "smiles": "CC1=C(COC2=CC(OCC3=CC=CC(C#N)=C3)=C(CN3CCCCC3C(=O)N3CCN(C(=O)CCC(=O)NC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2Cl)C=CC=C1C1=CC=CC=C1", "label": -1}, "1861": {"pro_comp_id": 1255, "tar_path": "PD-L1_Q9NZQ7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PD-L1_Q9NZQ7_140_lig_smina_out.mol2", "protac_path": "1255_protac.mol2", "smiles": "CC1=C(COC2=CC(OCC3=CC=CC(C#N)=C3)=C(CN3CCCCC3C(=O)NCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2Cl)C=CC=C1C1=CC=CC=C1", "label": -1}, "1862": {"pro_comp_id": 1256, "tar_path": "PD-L1_Q9NZQ7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PD-L1_Q9NZQ7_140_lig_smina_out.mol2", "protac_path": "1256_protac.mol2", "smiles": "CC1=C(COC2=CC(OCC3=CC=CC(C#N)=C3)=C(CN3CCCCC3C(=O)NCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2Cl)C=CC=C1C1=CC=CC=C1", "label": -1}, "1863": {"pro_comp_id": 1257, "tar_path": "PD-L1_Q9NZQ7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PD-L1_Q9NZQ7_140_lig_smina_out.mol2", "protac_path": "1257_protac.mol2", "smiles": "CC1=C(COC2=CC(OCC3=CC=CC(C#N)=C3)=C(CN3CCCCC3C(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2Cl)C=CC=C1C1=CC=CC=C1", "label": -1}, "1864": {"pro_comp_id": 1258, "tar_path": "PD-L1_Q9NZQ7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PD-L1_Q9NZQ7_140_lig_smina_out.mol2", "protac_path": "1258_protac.mol2", "smiles": "CC1=C(COC2=CC(OCC3=CC=CC(C#N)=C3)=C(CN3CCCCC3C(=O)NCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2Cl)C=CC=C1C1=CC=CC=C1", "label": -1}, "1865": {"pro_comp_id": 1259, "tar_path": "PD-L1_Q9NZQ7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PD-L1_Q9NZQ7_140_lig_smina_out.mol2", "protac_path": "1259_protac.mol2", "smiles": "CC1=C(COC2=CC(OCC3=CC=CC(C#N)=C3)=C(CN3CCCCC3C(=O)NCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2Cl)C=CC=C1C1=CC=CC=C1", "label": -1}, "1866": {"pro_comp_id": 1260, "tar_path": "PD-L1_Q9NZQ7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PD-L1_Q9NZQ7_140_lig_smina_out.mol2", "protac_path": "1260_protac.mol2", "smiles": "CC1=C(COC2=CC(OCC3=CC=CC(C#N)=C3)=C(CN3CCCCC3C(=O)NCCNC(=O)CCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2Cl)C=CC=C1C1=CC=CC=C1", "label": -1}, "1867": {"pro_comp_id": 1261, "tar_path": "PD-L1_Q9NZQ7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PD-L1_Q9NZQ7_140_lig_smina_out.mol2", "protac_path": "1261_protac.mol2", "smiles": "CC1=C(COC2=CC(OCC3=CC=CC(C#N)=C3)=C(CN3CCCCC3C(=O)NCCNC(=O)COCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2Cl)C=CC=C1C1=CC=CC=C1", "label": -1}, "1868": {"pro_comp_id": 1262, "tar_path": "PD-L1_Q9NZQ7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PD-L1_Q9NZQ7_74_lig_smina_out.mol2", "protac_path": "1262_protac.mol2", "smiles": "CC1=C(COC2=CC(OCC3=CC=CC(C#N)=C3)=C(CN3CCCCC3C(=O)NCCNC(=O)CCCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2Cl)C=CC=C1C1=CC=C2OCCOC2=C1", "label": -1}, "1869": {"pro_comp_id": 1263, "tar_path": "PD-L1_Q9NZQ7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "PD-L1_Q9NZQ7_74_lig_smina_out.mol2", "protac_path": "1263_protac.mol2", "smiles": "CC1=C(COC2=CC(OCC3=CC=CC(C#N)=C3)=C(CN3CCCCC3C(=O)NCCNC(=O)CCCC(=O)NC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)C=C2Cl)C=CC=C1C1=CC=C2OCCOC2=C1", "label": -1}, "1870": {"pro_comp_id": 1264, "tar_path": "PD-L1_Q9NZQ7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PD-L1_Q9NZQ7_74_lig_smina_out.mol2", "protac_path": "1264_protac.mol2", "smiles": "CC1=C(COC2=CC(OCC3=CC=CC(C#N)=C3)=C(CN3CCCCC3C(=O)NCCNC(=O)COCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2Cl)C=CC=C1C1=CC=C2OCCOC2=C1", "label": -1}, "1871": {"pro_comp_id": 1265, "tar_path": "PD-L1_Q9NZQ7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PD-L1_Q9NZQ7_74_lig_smina_out.mol2", "protac_path": "1265_protac.mol2", "smiles": "CC1=C(COC2=CC(OCC3=CC=CC(C#N)=C3)=C(CN3CCCCC3C(=O)NCCNC(=O)CCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2Cl)C=CC=C1C1=CC=C2OCCOC2=C1", "label": -1}, "1872": {"pro_comp_id": 1266, "tar_path": "PD-L1_Q9NZQ7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PD-L1_Q9NZQ7_74_lig_smina_out.mol2", "protac_path": "1266_protac.mol2", "smiles": "CC1=C(COC2=CC(OCC3=CC=CC(C#N)=C3)=C(CN3CCCCC3C(=O)N3CCN(C(=O)CCCC(=O)NC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2Cl)C=CC=C1C1=CC=C2OCCOC2=C1", "label": -1}, "1873": {"pro_comp_id": 1267, "tar_path": "PD-L1_Q9NZQ7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PD-L1_Q9NZQ7_74_lig_smina_out.mol2", "protac_path": "1267_protac.mol2", "smiles": "CC1=C(COC2=CC(OCC3=CC=CC(C#N)=C3)=C(CN3CCCCC3C(=O)N3CCN(C(=O)CCC(=O)NC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2Cl)C=CC=C1C1=CC=C2OCCOC2=C1", "label": -1}, "1874": {"pro_comp_id": 1268, "tar_path": "PD-L1_Q9NZQ7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PD-L1_Q9NZQ7_74_lig_smina_out.mol2", "protac_path": "1268_protac.mol2", "smiles": "CC1=C(COC2=CC(OCC3=CC=CC(C#N)=C3)=C(CN3CCCCC3C(=O)NCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2Cl)C=CC=C1C1=CC=C2OCCOC2=C1", "label": -1}, "1875": {"pro_comp_id": 1269, "tar_path": "PD-L1_Q9NZQ7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PD-L1_Q9NZQ7_74_lig_smina_out.mol2", "protac_path": "1269_protac.mol2", "smiles": "CC1=C(COC2=CC(OCC3=CC=CC(C#N)=C3)=C(CN3CCCCC3C(=O)NCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2Cl)C=CC=C1C1=CC=C2OCCOC2=C1", "label": -1}, "1876": {"pro_comp_id": 1270, "tar_path": "PD-L1_Q9NZQ7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PD-L1_Q9NZQ7_74_lig_smina_out.mol2", "protac_path": "1270_protac.mol2", "smiles": "CC1=C(COC2=CC(OCC3=CC=CC(C#N)=C3)=C(CN3CCCCC3C(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2Cl)C=CC=C1C1=CC=C2OCCOC2=C1", "label": -1}, "1877": {"pro_comp_id": 1271, "tar_path": "PD-L1_Q9NZQ7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PD-L1_Q9NZQ7_74_lig_smina_out.mol2", "protac_path": "1271_protac.mol2", "smiles": "CC1=C(COC2=CC(OCC3=CC=CC(C#N)=C3)=C(CN3CCCCC3C(=O)NCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2Cl)C=CC=C1C1=CC=C2OCCOC2=C1", "label": -1}, "1878": {"pro_comp_id": 1272, "tar_path": "PD-L1_Q9NZQ7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PD-L1_Q9NZQ7_74_lig_smina_out.mol2", "protac_path": "1272_protac.mol2", "smiles": "CC1=C(COC2=CC(OCC3=CC=CC(C#N)=C3)=C(CN3CCCCC3C(=O)NCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2Cl)C=CC=C1C1=CC=C2OCCOC2=C1", "label": -1}, "1879": {"pro_comp_id": 1273, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_48_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "1273_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=CC(OCCOCCOCC3=CN(CCCC(=O)N4CCN(CC[C@H](CSC5=CC=CC=C5)NC5=CC=C(S(=O)(=O)NC(=O)C6=CC=C(N7CCN(CC8=C(C9=CC=C(Cl)C=C9)CCC(C)(C)C8)CC7)C=C6)C=C5S(=O)(=O)C(F)(F)F)CC4)N=N3)=C2)=CS1)C1CCCCC1", "label": -1}, "1880": {"pro_comp_id": 1274, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_48_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "1274_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=CC(OCCOCCOCCOCC3=CN(CCCC(=O)N4CCN(CC[C@H](CSC5=CC=CC=C5)NC5=CC=C(S(=O)(=O)NC(=O)C6=CC=C(N7CCN(CC8=C(C9=CC=C(Cl)C=C9)CCC(C)(C)C8)CC7)C=C6)C=C5S(=O)(=O)C(F)(F)F)CC4)N=N3)=C2)=CS1)C1CCCCC1", "label": -1}, "1881": {"pro_comp_id": 1275, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_48_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "1275_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=CC(OCCOCCOCC(=O)N3CCN(CC[C@H](CSC4=CC=CC=C4)NC4=CC=C(S(=O)(=O)NC(=O)C5=CC=C(N6CCN(CC7=C(C8=CC=C(Cl)C=C8)CCC(C)(C)C7)CC6)C=C5)C=C4S(=O)(=O)C(F)(F)F)CC3)=C2)=CS1)C1CCCCC1", "label": -1}, "1882": {"pro_comp_id": 1276, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_48_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "1276_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=CC(OCCOCCOCCOCCOCC(=O)N3CCN(CC[C@H](CSC4=CC=CC=C4)NC4=CC=C(S(=O)(=O)NC(=O)C5=CC=C(N6CCN(CC7=C(C8=CC=C(Cl)C=C8)CCC(C)(C)C7)CC6)C=C5)C=C4S(=O)(=O)C(F)(F)F)CC3)=C2)=CS1)C1CCCCC1", "label": -1}, "1883": {"pro_comp_id": 1277, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_48_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "1277_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=CC(OCCCC(=O)N3CCN(CC[C@H](CSC4=CC=CC=C4)NC4=CC=C(S(=O)(=O)NC(=O)C5=CC=C(N6CCN(CC7=C(C8=CC=C(Cl)C=C8)CCC(C)(C)C7)CC6)C=C5)C=C4S(=O)(=O)C(F)(F)F)CC3)=C2)=CS1)C1CCCCC1", "label": -1}, "1884": {"pro_comp_id": 1278, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_48_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "1278_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=CC(OCCCCC(=O)N3CCN(CC[C@H](CSC4=CC=CC=C4)NC4=CC=C(S(=O)(=O)NC(=O)C5=CC=C(N6CCN(CC7=C(C8=CC=C(Cl)C=C8)CCC(C)(C)C7)CC6)C=C5)C=C4S(=O)(=O)C(F)(F)F)CC3)=C2)=CS1)C1CCCCC1", "label": -1}, "1885": {"pro_comp_id": 1279, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_48_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "1279_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=CC(OCCCCCC(=O)N3CCN(CC[C@H](CSC4=CC=CC=C4)NC4=CC=C(S(=O)(=O)NC(=O)C5=CC=C(N6CCN(CC7=C(C8=CC=C(Cl)C=C8)CCC(C)(C)C7)CC6)C=C5)C=C4S(=O)(=O)C(F)(F)F)CC3)=C2)=CS1)C1CCCCC1", "label": -1}, "1886": {"pro_comp_id": 1280, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_48_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "1280_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=CC(OCCCCCCC(=O)N3CCN(CC[C@H](CSC4=CC=CC=C4)NC4=CC=C(S(=O)(=O)NC(=O)C5=CC=C(N6CCN(CC7=C(C8=CC=C(Cl)C=C8)CCC(C)(C)C7)CC6)C=C5)C=C4S(=O)(=O)C(F)(F)F)CC3)=C2)=CS1)C1CCCCC1", "label": -1}, "1887": {"pro_comp_id": 1281, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "XIAP_P98170.pdb", "e3_lig_path": "XIAP_P98170_59_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "1281_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC(C)(C)[C@@H](C(=O)N[C@@H]3CCCC4=CC(OCCOCCOCC5=CN(CCCC(=O)N6CCN(CC[C@H](CSC7=CC=CC=C7)NC7=CC=C(S(=O)(=O)NC(=O)C8=CC=C(N9CCN(CC%10=C(C%11=CC=C(Cl)C=C%11)CCC(C)(C)C%10)CC9)C=C8)C=C7S(=O)(=O)C(F)(F)F)CC6)N=N5)=CC=C43)N2C1=O", "label": -1}, "1888": {"pro_comp_id": 1282, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "XIAP_P98170.pdb", "e3_lig_path": "XIAP_P98170_59_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "1282_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC(C)(C)[C@@H](C(=O)N[C@@H]3CCCC4=CC(OCCOCCOCCOCC5=CN(CCCC(=O)N6CCN(CC[C@H](CSC7=CC=CC=C7)NC7=CC=C(S(=O)(=O)NC(=O)C8=CC=C(N9CCN(CC%10=C(C%11=CC=C(Cl)C=C%11)CCC(C)(C)C%10)CC9)C=C8)C=C7S(=O)(=O)C(F)(F)F)CC6)N=N5)=CC=C43)N2C1=O", "label": -1}, "1889": {"pro_comp_id": 1283, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "XIAP_P98170.pdb", "e3_lig_path": "XIAP_P98170_59_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "1283_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC(C)(C)[C@@H](C(=O)N[C@@H]3CCCC4=CC(OCCOCCOCC(=O)N5CCN(CC[C@H](CSC6=CC=CC=C6)NC6=CC=C(S(=O)(=O)NC(=O)C7=CC=C(N8CCN(CC9=C(C%10=CC=C(Cl)C=C%10)CCC(C)(C)C9)CC8)C=C7)C=C6S(=O)(=O)C(F)(F)F)CC5)=CC=C43)N2C1=O", "label": -1}, "1890": {"pro_comp_id": 1284, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "XIAP_P98170.pdb", "e3_lig_path": "XIAP_P98170_59_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "1284_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC(C)(C)[C@@H](C(=O)N[C@@H]3CCCC4=CC(OCCOCCOCCOCCOCC(=O)N5CCN(CC[C@H](CSC6=CC=CC=C6)NC6=CC=C(S(=O)(=O)NC(=O)C7=CC=C(N8CCN(CC9=C(C%10=CC=C(Cl)C=C%10)CCC(C)(C)C9)CC8)C=C7)C=C6S(=O)(=O)C(F)(F)F)CC5)=CC=C43)N2C1=O", "label": -1}, "1891": {"pro_comp_id": 1285, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "XIAP_P98170.pdb", "e3_lig_path": "XIAP_P98170_59_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "1285_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC(C)(C)[C@@H](C(=O)N[C@@H]3CCCC4=CC(OCCCC(=O)N5CCN(CC[C@H](CSC6=CC=CC=C6)NC6=CC=C(S(=O)(=O)NC(=O)C7=CC=C(N8CCN(CC9=C(C%10=CC=C(Cl)C=C%10)CCC(C)(C)C9)CC8)C=C7)C=C6S(=O)(=O)C(F)(F)F)CC5)=CC=C43)N2C1=O", "label": -1}, "1892": {"pro_comp_id": 1286, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "XIAP_P98170.pdb", "e3_lig_path": "XIAP_P98170_59_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "1286_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC(C)(C)[C@@H](C(=O)N[C@@H]3CCCC4=CC(OCCCCC(=O)N5CCN(CC[C@H](CSC6=CC=CC=C6)NC6=CC=C(S(=O)(=O)NC(=O)C7=CC=C(N8CCN(CC9=C(C%10=CC=C(Cl)C=C%10)CCC(C)(C)C9)CC8)C=C7)C=C6S(=O)(=O)C(F)(F)F)CC5)=CC=C43)N2C1=O", "label": -1}, "1893": {"pro_comp_id": 1287, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "XIAP_P98170.pdb", "e3_lig_path": "XIAP_P98170_59_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "1287_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC(C)(C)[C@@H](C(=O)N[C@@H]3CCCC4=CC(OCCCCCC(=O)N5CCN(CC[C@H](CSC6=CC=CC=C6)NC6=CC=C(S(=O)(=O)NC(=O)C7=CC=C(N8CCN(CC9=C(C%10=CC=C(Cl)C=C%10)CCC(C)(C)C9)CC8)C=C7)C=C6S(=O)(=O)C(F)(F)F)CC5)=CC=C43)N2C1=O", "label": -1}, "1894": {"pro_comp_id": 1288, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "XIAP_P98170.pdb", "e3_lig_path": "XIAP_P98170_59_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "1288_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC(C)(C)[C@@H](C(=O)N[C@@H]3CCCC4=CC(OCCCCCCC(=O)N5CCN(CC[C@H](CSC6=CC=CC=C6)NC6=CC=C(S(=O)(=O)NC(=O)C7=CC=C(N8CCN(CC9=C(C%10=CC=C(Cl)C=C%10)CCC(C)(C)C9)CC8)C=C7)C=C6S(=O)(=O)C(F)(F)F)CC5)=CC=C43)N2C1=O", "label": -1}, "1895": {"pro_comp_id": 1289, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_141_lig_smina_out.mol2", "protac_path": "1289_protac.mol2", "smiles": "CN(CCCCC1=CN(CCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1)CC1=CC=C(C2=C3CCNC(=O)C4=C3C(=CC(F)=C4)[NH]2)C=C1", "label": 0}, "1896": {"pro_comp_id": 1290, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_141_lig_smina_out.mol2", "protac_path": "1290_protac.mol2", "smiles": "CN(CCCCC1=CN(CCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1)CC1=CC=C(C2=C3CCNC(=O)C4=C3C(=CC(F)=C4)[NH]2)C=C1", "label": 0}, "1897": {"pro_comp_id": 1291, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_141_lig_smina_out.mol2", "protac_path": "1291_protac.mol2", "smiles": "CN(CCCCC1=CN(CCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1)CC1=CC=C(C2=C3CCNC(=O)C4=C3C(=CC(F)=C4)[NH]2)C=C1", "label": -1}, "1898": {"pro_comp_id": 1292, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_141_lig_smina_out.mol2", "protac_path": "1292_protac.mol2", "smiles": "CN(CCCCC1=CN(CCOCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1)CC1=CC=C(C2=C3CCNC(=O)C4=C3C(=CC(F)=C4)[NH]2)C=C1", "label": -1}, "1899": {"pro_comp_id": 1293, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_141_lig_smina_out.mol2", "protac_path": "1293_protac.mol2", "smiles": "CN(CCCCC1=CN(CCOCCOCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1)CC1=CC=C(C2=C3CCNC(=O)C4=C3C(=CC(F)=C4)[NH]2)C=C1", "label": 0}, "1900": {"pro_comp_id": 1294, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_141_lig_smina_out.mol2", "protac_path": "1294_protac.mol2", "smiles": "CN(CCCCC(=O)NCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC1=CC=C(C2=C3CCNC(=O)C4=C3C(=CC(F)=C4)[NH]2)C=C1", "label": 0}, "1901": {"pro_comp_id": 1295, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_141_lig_smina_out.mol2", "protac_path": "1295_protac.mol2", "smiles": "CN(CCCCCC(=O)NCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC1=CC=C(C2=C3CCNC(=O)C4=C3C(=CC(F)=C4)[NH]2)C=C1", "label": 0}, "1902": {"pro_comp_id": 1296, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_141_lig_smina_out.mol2", "protac_path": "1296_protac.mol2", "smiles": "CNCC1=CC=C(C2=C3CCNC(=O)C4=CC(F)=CC(=C43)N2CCCCC2=CN(CCOCCOCCOCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1", "label": -1}, "1903": {"pro_comp_id": 1297, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_141_lig_smina_out.mol2", "protac_path": "1297_protac.mol2", "smiles": "CNCC1=CC=C(C2=C3CCNC(=O)C4=CC(F)=CC(=C43)N2CCCCC2=CN(CCOCCOCCOCCOCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1", "label": -1}, "1904": {"pro_comp_id": 1298, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_141_lig_smina_out.mol2", "protac_path": "1298_protac.mol2", "smiles": "CN(CCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC1=CC=C(C2=C3CCNC(=O)C4=C3C(=CC(F)=C4)[NH]2)C=C1", "label": -1}, "1905": {"pro_comp_id": 1299, "tar_path": "PARP3_Q9Y6F1.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP3_Q9Y6F1_141_lig_smina_out.mol2", "protac_path": "1299_protac.mol2", "smiles": "CN(CCOCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC1=CC=C(C2=C3CCNC(=O)C4=C3C(=CC(F)=C4)[NH]2)C=C1", "label": -1}, "1906": {"pro_comp_id": 1299, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_141_lig_smina_out.mol2", "protac_path": "1299_protac.mol2", "smiles": "CN(CCOCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC1=CC=C(C2=C3CCNC(=O)C4=C3C(=CC(F)=C4)[NH]2)C=C1", "label": 1}, "1907": {"pro_comp_id": 1300, "tar_path": "PARP3_Q9Y6F1.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP3_Q9Y6F1_141_lig_smina_out.mol2", "protac_path": "1300_protac.mol2", "smiles": "CN(CCOCCOCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC1=CC=C(C2=C3CCNC(=O)C4=C3C(=CC(F)=C4)[NH]2)C=C1", "label": -1}, "1908": {"pro_comp_id": 1300, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_141_lig_smina_out.mol2", "protac_path": "1300_protac.mol2", "smiles": "CN(CCOCCOCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC1=CC=C(C2=C3CCNC(=O)C4=C3C(=CC(F)=C4)[NH]2)C=C1", "label": 1}, "1909": {"pro_comp_id": 1301, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_141_lig_smina_out.mol2", "protac_path": "1301_protac.mol2", "smiles": "CN(CCOCCOCCOCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC1=CC=C(C2=C3CCNC(=O)C4=C3C(=CC(F)=C4)[NH]2)C=C1", "label": -1}, "1910": {"pro_comp_id": 1302, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PARP1_P09874_141_lig_smina_out.mol2", "protac_path": "1302_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCN3C=C(CCCCN(C)CC4=CC=C(C5=C6CCNC(=O)C7=C6C(=CC(F)=C7)[NH]5)C=C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1911": {"pro_comp_id": 1303, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PARP1_P09874_141_lig_smina_out.mol2", "protac_path": "1303_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCN3C=C(CCCCN(C)CC4=CC=C(C5=C6CCNC(=O)C7=C6C(=CC(F)=C7)[NH]5)C=C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "1912": {"pro_comp_id": 1304, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_142_lig_smina_out.mol2", "protac_path": "1304_protac.mol2", "smiles": "C[C@]1(C2=NC3=C(C(N)=O)C=CC=C3[NH]2)CCCN1CCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 0}, "1913": {"pro_comp_id": 1304, "tar_path": "PARP2_Q9UGN5.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP2_Q9UGN5_142_lig_smina_out.mol2", "protac_path": "1304_protac.mol2", "smiles": "C[C@]1(C2=NC3=C(C(N)=O)C=CC=C3[NH]2)CCCN1CCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1914": {"pro_comp_id": 1305, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_142_lig_smina_out.mol2", "protac_path": "1305_protac.mol2", "smiles": "C[C@]1(C2=NC3=C(C(N)=O)C=CC=C3[NH]2)CCCN1CCOCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 0}, "1915": {"pro_comp_id": 1305, "tar_path": "PARP2_Q9UGN5.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP2_Q9UGN5_142_lig_smina_out.mol2", "protac_path": "1305_protac.mol2", "smiles": "C[C@]1(C2=NC3=C(C(N)=O)C=CC=C3[NH]2)CCCN1CCOCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1916": {"pro_comp_id": 1306, "tar_path": "PARP2_Q9UGN5.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP2_Q9UGN5_142_lig_smina_out.mol2", "protac_path": "1306_protac.mol2", "smiles": "C[C@]1(C2=NC3=C(C(N)=O)C=CC=C3[NH]2)CCCN1CCOCCOCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 1}, "1917": {"pro_comp_id": 1306, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_142_lig_smina_out.mol2", "protac_path": "1306_protac.mol2", "smiles": "C[C@]1(C2=NC3=C(C(N)=O)C=CC=C3[NH]2)CCCN1CCOCCOCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1918": {"pro_comp_id": 1307, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_142_lig_smina_out.mol2", "protac_path": "1307_protac.mol2", "smiles": "C[C@]1(C2=NC3=C(C(N)=O)C=CC=C3[NH]2)CCCN1CCOCCOCCOCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1919": {"pro_comp_id": 1307, "tar_path": "PARP2_Q9UGN5.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP2_Q9UGN5_142_lig_smina_out.mol2", "protac_path": "1307_protac.mol2", "smiles": "C[C@]1(C2=NC3=C(C(N)=O)C=CC=C3[NH]2)CCCN1CCOCCOCCOCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1920": {"pro_comp_id": 1308, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_21_lig_smina_out.mol2", "protac_path": "1308_protac.mol2", "smiles": "NC(=O)C1=CC=CC2=CN(C3=CC=C([C@@H]4CCCN(CCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)C=C3)N=C12", "label": 0}, "1921": {"pro_comp_id": 1309, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_21_lig_smina_out.mol2", "protac_path": "1309_protac.mol2", "smiles": "NC(=O)C1=CC=CC2=CN(C3=CC=C([C@@H]4CCCN(CCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)C=C3)N=C12", "label": 0}, "1922": {"pro_comp_id": 1310, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_21_lig_smina_out.mol2", "protac_path": "1310_protac.mol2", "smiles": "NC(=O)C1=CC=CC2=CN(C3=CC=C([C@@H]4CCCN(CCOCCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)C=C3)N=C12", "label": 0}, "1923": {"pro_comp_id": 1311, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_21_lig_smina_out.mol2", "protac_path": "1311_protac.mol2", "smiles": "NC(=O)C1=CC=CC2=CN(C3=CC=C([C@@H]4CCCN(CCOCCOCCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)C=C3)N=C12", "label": 0}, "1924": {"pro_comp_id": 1312, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "1312_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCC(=O)N4CCN(C(=O)C5=CC(CC6=N[NH]C(=O)C7=CC=CC=C67)=CC=C5F)CC4)=C3C2=O)C(=O)N1", "label": 0}, "1925": {"pro_comp_id": 1313, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "1313_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOCC(=O)N4CCN(C(=O)C5=CC(CC6=N[NH]C(=O)C7=CC=CC=C67)=CC=C5F)CC4)=C3C2=O)C(=O)N1", "label": 0}, "1926": {"pro_comp_id": 1314, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "1314_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOCCOCC(=O)N4CCN(C(=O)C5=CC(CC6=N[NH]C(=O)C7=CC=CC=C67)=CC=C5F)CC4)=C3C2=O)C(=O)N1", "label": 0}, "1927": {"pro_comp_id": 1315, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "1315_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOCCOCCOCC(=O)N4CCN(C(=O)C5=CC(CC6=N[NH]C(=O)C7=CC=CC=C67)=CC=C5F)CC4)=C3C2=O)C(=O)N1", "label": -1}, "1928": {"pro_comp_id": 1316, "tar_path": "TRIM24_O15164.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "TRIM24_O15164_143_lig_smina_out.mol2", "protac_path": "1316_protac.mol2", "smiles": "CCCOC1=CC=CC(OC2=CC3=C(C=C2NS(=O)(=O)C2=CC=CC(C(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)=C2)N(C)C(=O)N3C)=C1", "label": -1}, "1929": {"pro_comp_id": 1317, "tar_path": "TRIM24_O15164.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "TRIM24_O15164_144_lig_smina_out.mol2", "protac_path": "1317_protac.mol2", "smiles": "CCCOC1=CC(OCCCCN(C)C)=CC(OC2=CC3=C(C=C2NS(=O)(=O)C2=CC=CC(C(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)=C2)N(C)C(=O)N3C)=C1", "label": -1}, "1930": {"pro_comp_id": 1318, "tar_path": "FKBP12_P62942.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FKBP12_F36V_P62942_146_lig_smina_out.mol2", "protac_path": "1318_protac.mol2", "smiles": "CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCC1=CC=C(OC)C(OC)=C1)C1=CC=CC=C1OCC(=O)NCCCOCCOCCOCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)C1=CC(OC)=C(OC)C(OC)=C1", "label": -1}, "1931": {"pro_comp_id": 1319, "tar_path": "FKBP12_P62942.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FKBP12_F36V_P62942_146_lig_smina_out.mol2", "protac_path": "1319_protac.mol2", "smiles": "CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCC1=CC=C(OC)C(OC)=C1)C1=CC=CC=C1OCC(=O)NCCCCCCOC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)C1=CC(OC)=C(OC)C(OC)=C1", "label": -1}, "1932": {"pro_comp_id": 1320, "tar_path": "FKBP12_P62942.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FKBP12_F36V_P62942_145_lig_smina_out.mol2", "protac_path": "1320_protac.mol2", "smiles": "CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCC1=CC=C(OC)C(OC)=C1)C1=CC=CC(OCC(=O)NCCCOCCOCCOCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1)C1=CC(OC)=C(OC)C(OC)=C1", "label": -1}, "1933": {"pro_comp_id": 1321, "tar_path": "FKBP12_P62942.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FKBP12_F36V_P62942_145_lig_smina_out.mol2", "protac_path": "1321_protac.mol2", "smiles": "CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCC1=CC=C(OC)C(OC)=C1)C1=CC=CC(OCC(=O)NCCCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1)C1=CC(OC)=C(OC)C(OC)=C1", "label": -1}, "1934": {"pro_comp_id": 1322, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_30_lig_smina_out.mol2", "protac_path": "1322_protac.mol2", "smiles": "O=C(CCCCCCC(=O)N/N=C/C1=CC=C(OCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C=C1)NO", "label": -1}, "1935": {"pro_comp_id": 1323, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_30_lig_smina_out.mol2", "protac_path": "1323_protac.mol2", "smiles": "O=C(CCCCCCC(=O)N/N=C/C1=CC=C(OCCCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C=C1)NO", "label": 1}, "1936": {"pro_comp_id": 1324, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_30_lig_smina_out.mol2", "protac_path": "1324_protac.mol2", "smiles": "O=C(CCCCCCC(=O)N/N=C/C1=CC=C(C2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C=C1)NO", "label": 0}, "1937": {"pro_comp_id": 1325, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_85_lig_smina_out.mol2", "protac_path": "1325_protac.mol2", "smiles": "CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCN2C=C(CNCC3=CC=C(C4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)C=C3)N=N2)C=C1", "label": -1}, "1938": {"pro_comp_id": 1326, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_85_lig_smina_out.mol2", "protac_path": "1326_protac.mol2", "smiles": "CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCCN2C=C(CNCC3=CC=C(C4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)C=C3)N=N2)C=C1", "label": -1}, "1939": {"pro_comp_id": 1327, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_85_lig_smina_out.mol2", "protac_path": "1327_protac.mol2", "smiles": "CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCCCN2C=C(CNCC3=CC=C(C4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)C=C3)N=N2)C=C1", "label": -1}, "1940": {"pro_comp_id": 1328, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_85_lig_smina_out.mol2", "protac_path": "1328_protac.mol2", "smiles": "CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCCCCN2C=C(CNCC3=CC=C(C4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)C=C3)N=N2)C=C1", "label": -1}, "1941": {"pro_comp_id": 1329, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_85_lig_smina_out.mol2", "protac_path": "1329_protac.mol2", "smiles": "CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCCCCCN2C=C(CNCC3=CC=C(C4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)C=C3)N=N2)C=C1", "label": -1}, "1942": {"pro_comp_id": 1330, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_85_lig_smina_out.mol2", "protac_path": "1330_protac.mol2", "smiles": "CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCCCCCCN2C=C(CNCC3=CC=C(C4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)C=C3)N=N2)C=C1", "label": -1}, "1944": {"pro_comp_id": 1331, "tar_path": "Beta-tubulin_P07437.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Beta-tubulin_P07437_147_lig_smina_out.mol2", "protac_path": "1331_protac.mol2", "smiles": "CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)C1=CC=CC=C1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)CCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)C(C)C", "label": 0}, "1946": {"pro_comp_id": 1332, "tar_path": "Beta-tubulin_P07437.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Beta-tubulin_P07437_147_lig_smina_out.mol2", "protac_path": "1332_protac.mol2", "smiles": "CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)C1=CC=CC=C1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)CCCCCCCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)C(C)C", "label": 0}, "1948": {"pro_comp_id": 1333, "tar_path": "Beta-tubulin_P07437.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Beta-tubulin_P07437_147_lig_smina_out.mol2", "protac_path": "1333_protac.mol2", "smiles": "CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)C1=CC=CC=C1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)CCCCCCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)C(C)C", "label": 0}, "1950": {"pro_comp_id": 1334, "tar_path": "Beta-tubulin_P07437.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Beta-tubulin_P07437_147_lig_smina_out.mol2", "protac_path": "1334_protac.mol2", "smiles": "CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)C1=CC=CC=C1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)CCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)C(C)C", "label": 0}, "1952": {"pro_comp_id": 1335, "tar_path": "Beta-tubulin_P07437.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Beta-tubulin_P07437_147_lig_smina_out.mol2", "protac_path": "1335_protac.mol2", "smiles": "CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)C1=CC=CC=C1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)CCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)C(C)C", "label": 0}, "1954": {"pro_comp_id": 1336, "tar_path": "Beta-tubulin_P07437.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Beta-tubulin_P07437_147_lig_smina_out.mol2", "protac_path": "1336_protac.mol2", "smiles": "CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)C1=CC=CC=C1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)CCOCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)C(C)C", "label": 0}, "1956": {"pro_comp_id": 1337, "tar_path": "Beta-tubulin_P07437.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Beta-tubulin_P07437_147_lig_smina_out.mol2", "protac_path": "1337_protac.mol2", "smiles": "CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)C1=CC=CC=C1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)CCCOCCOCCOCCOCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)C(C)C", "label": 0}, "1958": {"pro_comp_id": 1338, "tar_path": "Beta-tubulin_P07437.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Beta-tubulin_P07437_147_lig_smina_out.mol2", "protac_path": "1338_protac.mol2", "smiles": "CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)C1=CC=CC=C1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)CCCCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)C(C)C", "label": 0}, "1960": {"pro_comp_id": 1339, "tar_path": "Beta-tubulin_P07437.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Beta-tubulin_P07437_148_lig_smina_out.mol2", "protac_path": "1339_protac.mol2", "smiles": "COC1=CC=C(/C=C\\C2=CC(OC)=C(OC)C(OC)=C2)C=C1OCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 0}, "1962": {"pro_comp_id": 1340, "tar_path": "Beta-tubulin_P07437.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Beta-tubulin_P07437_148_lig_smina_out.mol2", "protac_path": "1340_protac.mol2", "smiles": "COC1=CC=C(/C=C\\C2=CC(OC)=C(OC)C(OC)=C2)C=C1OCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 0}, "1964": {"pro_comp_id": 1341, "tar_path": "Beta-tubulin_P07437.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Beta-tubulin_P07437_148_lig_smina_out.mol2", "protac_path": "1341_protac.mol2", "smiles": "COC1=CC=C(/C=C\\C2=CC(OC)=C(OC)C(OC)=C2)C=C1OCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 0}, "1966": {"pro_comp_id": 1342, "tar_path": "Beta-tubulin_P07437.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Beta-tubulin_P07437_148_lig_smina_out.mol2", "protac_path": "1342_protac.mol2", "smiles": "COC1=CC=C(/C=C\\C2=CC(OC)=C(OC)C(OC)=C2)C=C1OCCOCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 0}, "1968": {"pro_comp_id": 1343, "tar_path": "Beta-tubulin_P07437.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Beta-tubulin_P07437_148_lig_smina_out.mol2", "protac_path": "1343_protac.mol2", "smiles": "COC1=CC=C(/C=C\\C2=CC(OC)=C(OC)C(OC)=C2)C=C1NCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 0}, "1969": {"pro_comp_id": 1344, "tar_path": "Tau_P10636.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Tau_P10636_149_lig_smina_out.mol2", "protac_path": "1344_protac.mol2", "smiles": "O=C(CCC1=CC=C2C(=C1)[NH]C1=CC=NC=C12)NCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 1}, "1970": {"pro_comp_id": 1345, "tar_path": "Rpn13_Q16186.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Rpn13_Q16186_150_lig_smina_out.mol2", "protac_path": "1345_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCC(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N4C/C(=C\\C5=CC=C(Cl)C(Cl)=C5)C(=O)/C(=C/C5=CC=C(Cl)C(Cl)=C5)C4)=C3C2=O)C(=O)N1", "label": 1}, "1971": {"pro_comp_id": 1346, "tar_path": "IGF-1R_P08069.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IGF-1R_P08069_151_lig_smina_out.mol2", "protac_path": "1346_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOC4=CC=C(NC5=NC=CC(NC6=CN=C7C=CC=CC7=C6)=N5)C=C4)=C3C2=O)C(=O)N1", "label": -1}, "1973": {"pro_comp_id": 1347, "tar_path": "IGF-1R_P08069.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IGF-1R_P08069_151_lig_smina_out.mol2", "protac_path": "1347_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOC4=CC=C(NC5=NC=CC(NC6=CN=C7C=CC=CC7=C6)=N5)C=C4)=C3C2=O)C(=O)N1", "label": -1}, "1975": {"pro_comp_id": 1348, "tar_path": "IGF-1R_P08069.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IGF-1R_P08069_151_lig_smina_out.mol2", "protac_path": "1348_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOC4=CC=C(NC5=NC=CC(NC6=CN=C7C=CC=CC7=C6)=N5)C=C4)=C3C2=O)C(=O)N1", "label": -1}, "1977": {"pro_comp_id": 1349, "tar_path": "IGF-1R_P08069.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IGF-1R_P08069_153_lig_smina_out.mol2", "protac_path": "1349_protac.mol2", "smiles": "CC1=CC(NC2=CC=NC(NC3=CC=C(OCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=N2)=N[NH]1", "label": -1}, "1979": {"pro_comp_id": 1350, "tar_path": "IGF-1R_P08069.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IGF-1R_P08069_153_lig_smina_out.mol2", "protac_path": "1350_protac.mol2", "smiles": "CC1=CC(NC2=CC=NC(NC3=CC=C(OCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=N2)=N[NH]1", "label": -1}, "1981": {"pro_comp_id": 1351, "tar_path": "IGF-1R_P08069.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IGF-1R_P08069_153_lig_smina_out.mol2", "protac_path": "1351_protac.mol2", "smiles": "CC1=CC(NC2=NC(NC3=CC=C(OCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C2Cl)=N[NH]1", "label": -1}, "1983": {"pro_comp_id": 1352, "tar_path": "IGF-1R_P08069.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IGF-1R_P08069_153_lig_smina_out.mol2", "protac_path": "1352_protac.mol2", "smiles": "CC1=CC(NC2=NC(NC3=CC=C(OCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C2Cl)=N[NH]1", "label": -1}, "1986": {"pro_comp_id": 1353, "tar_path": "Src_P12931.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Src_P12931_152_lig_smina_out.mol2", "protac_path": "1353_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(Cl)C=C1)=NN2CCCNC1=CC=C(OCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "1988": {"pro_comp_id": 1354, "tar_path": "Src_P12931.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Src_P12931_152_lig_smina_out.mol2", "protac_path": "1354_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(Cl)C=C1)=NN2CCCNC1=CC=C(OCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "1990": {"pro_comp_id": 1355, "tar_path": "Src_P12931.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Src_P12931_152_lig_smina_out.mol2", "protac_path": "1355_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(Cl)C=C1)=NN2CCCN1C=C(CNC2=CC=C(OCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)N=N1", "label": -1}, "1992": {"pro_comp_id": 1356, "tar_path": "Src_P12931.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Src_P12931_152_lig_smina_out.mol2", "protac_path": "1356_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(Cl)C=C1)=NN2CCCN1C=C(CNC2=CC=C(OCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)N=N1", "label": -1}, "1996": {"pro_comp_id": 1360, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "1360_protac.mol2", "smiles": "CC1(C)CCC(C2=CC=C(Cl)C=C2)=C(CN2CCN(C3=CC=C(C(=O)NS(=O)(=O)C4=CC=C(N[C@H](CCN5CCN(C(=O)CCCN6C=C(COCCOCCNC7=CC=CC8=C7C(=O)N(C7CCC(=O)NC7=O)C8=O)N=N6)CC5)CSC5=CC=CC=C5)C(S(=O)(=O)C(F)(F)F)=C4)C=C3)CC2)C1", "label": 1}, "1997": {"pro_comp_id": 1361, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_155_lig_smina_out.mol2", "protac_path": "1361_protac.mol2", "smiles": "C=CC(=O)N1C[C@@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C3=C(N)N=CN=C32)C[C@H]1C(=O)OCCOCCOCC(=O)NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1998": {"pro_comp_id": 1362, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_155_lig_smina_out.mol2", "protac_path": "1362_protac.mol2", "smiles": "C=CC(=O)N1C[C@@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C3=C(N)N=CN=C32)C[C@H]1C(=O)OCCOCCOCCOCC(=O)NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "1999": {"pro_comp_id": 1363, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_155_lig_smina_out.mol2", "protac_path": "1363_protac.mol2", "smiles": "C=CC(=O)N1C[C@@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C3=C(N)N=CN=C32)C[C@H]1C(=O)OCCOCCOCCOCCOCC(=O)NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "2000": {"pro_comp_id": 1364, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_155_lig_smina_out.mol2", "protac_path": "1364_protac.mol2", "smiles": "C=CC(=O)N1C[C@@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C3=C(N)N=CN=C32)C[C@H]1C(=O)OCCOCCOCCOCCOCCOCC(=O)NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "2001": {"pro_comp_id": 1365, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_155_lig_smina_out.mol2", "protac_path": "1365_protac.mol2", "smiles": "C=CC(=O)N1C[C@@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C3=C(N)N=CN=C32)C[C@H]1C(=O)NCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "2002": {"pro_comp_id": 1366, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_155_lig_smina_out.mol2", "protac_path": "1366_protac.mol2", "smiles": "C=CC(=O)N1C[C@@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C3=C(N)N=CN=C32)C[C@H]1C(=O)NCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "2003": {"pro_comp_id": 1367, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_155_lig_smina_out.mol2", "protac_path": "1367_protac.mol2", "smiles": "C=CC(=O)N1C[C@@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C3=C(N)N=CN=C32)C[C@H]1C(=O)NCCCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "2004": {"pro_comp_id": 1368, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_155_lig_smina_out.mol2", "protac_path": "1368_protac.mol2", "smiles": "C=CC(=O)N1C[C@@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C3=C(N)N=CN=C32)C[C@H]1C(=O)NCCCCCCCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "2005": {"pro_comp_id": 1369, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_156_lig_smina_out.mol2", "protac_path": "1369_protac.mol2", "smiles": "C=CC(=O)N[C@@H](CCC(=O)OCCOCCOCC(=O)NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)C(=O)NC1=CC=CC(NC2=NC=C(NC(=O)C3=CC(NC(=O)C4=CC=CC(C(F)(F)F)=C4)=CC=C3C)C=N2)=C1", "label": -1}, "2006": {"pro_comp_id": 1370, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_156_lig_smina_out.mol2", "protac_path": "1370_protac.mol2", "smiles": "C=CC(=O)N[C@@H](CCC(=O)OCCOCCOCCOCCOCC(=O)NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)C(=O)NC1=CC=CC(NC2=NC=C(NC(=O)C3=CC(NC(=O)C4=CC=CC(C(F)(F)F)=C4)=CC=C3C)C=N2)=C1", "label": -1}, "2007": {"pro_comp_id": 1371, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_156_lig_smina_out.mol2", "protac_path": "1371_protac.mol2", "smiles": "C=CC(=O)N[C@@H](CCC(=O)NCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)C(=O)NC1=CC=CC(NC2=NC=C(NC(=O)C3=CC(NC(=O)C4=CC=CC(C(F)(F)F)=C4)=CC=C3C)C=N2)=C1", "label": -1}, "2008": {"pro_comp_id": 1372, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_156_lig_smina_out.mol2", "protac_path": "1372_protac.mol2", "smiles": "C=CC(=O)N[C@@H](CCC(=O)NCCCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)C(=O)NC1=CC=CC(NC2=NC=C(NC(=O)C3=CC(NC(=O)C4=CC=CC(C(F)(F)F)=C4)=CC=C3C)C=N2)=C1", "label": -1}, "2009": {"pro_comp_id": 1373, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BTK_Q06187_155_lig_smina_out.mol2", "protac_path": "1373_protac.mol2", "smiles": "C=CC(=O)N1C[C@@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C3=C(N)N=CN=C32)C[C@H]1C(=O)OCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C", "label": 0}, "2010": {"pro_comp_id": 1373, "tar_path": "BLK_P51451.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BLK_P51451_155_lig_smina_out.mol2", "protac_path": "1373_protac.mol2", "smiles": "C=CC(=O)N1C[C@@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C3=C(N)N=CN=C32)C[C@H]1C(=O)OCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C", "label": 0}, "2011": {"pro_comp_id": 1374, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BTK_Q06187_156_lig_smina_out.mol2", "protac_path": "1374_protac.mol2", "smiles": "C=CC(=O)N[C@@H](CCC(=O)NCCCCCCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C)C(=O)NC1=CC=CC(NC2=NC=C(NC(=O)C3=CC(NC(=O)C4=CC=CC(C(F)(F)F)=C4)=CC=C3C)C=N2)=C1", "label": -1}, "2012": {"pro_comp_id": 1375, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BTK_Q06187_157_lig_smina_out.mol2", "protac_path": "1375_protac.mol2", "smiles": "CCC(=O)N1C[C@@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C3=C(N)N=CN=C32)C[C@H]1C(=O)OCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C", "label": -1}, "2013": {"pro_comp_id": 1376, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_158_lig_smina_out.mol2", "protac_path": "1376_protac.mol2", "smiles": "CCC(=O)N[C@@H](CCC(=O)NCCCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)C(=O)NC1=CC=CC(NC2=NC=C(NC(=O)C3=CC(NC(=O)C4=CC=CC(C(F)(F)F)=C4)=CC=C3C)C=N2)=C1", "label": -1}, "2014": {"pro_comp_id": 1377, "tar_path": "CDK8_P49336.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK8_P49336_159_lig_smina_out.mol2", "protac_path": "1377_protac.mol2", "smiles": "CN(CCCCCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)[C@H]1CC[C@@]2(C)C(CC[C@@H]3C2CC[C@]2(C)[C@@H](C4=CC=C5C=CN=CC5=C4)CC[C@@H]32)C1", "label": 0}, "2015": {"pro_comp_id": 1378, "tar_path": "CDK8_P49336.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK8_P49336_159_lig_smina_out.mol2", "protac_path": "1378_protac.mol2", "smiles": "CN(C(=O)CCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)[C@H]1CC[C@@]2(C)C(CC[C@@H]3C2CC[C@]2(C)[C@@H](C4=CC=C5C=CN=CC5=C4)CC[C@@H]32)C1", "label": -1}, "2016": {"pro_comp_id": 1379, "tar_path": "CDK8_P49336.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK8_P49336_159_lig_smina_out.mol2", "protac_path": "1379_protac.mol2", "smiles": "CN(C(=O)CCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)[C@H]1CC[C@@]2(C)C(CC[C@@H]3C2CC[C@]2(C)[C@@H](C4=CC=C5C=CN=CC5=C4)CC[C@@H]32)C1", "label": 0}, "2017": {"pro_comp_id": 1380, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "1380_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)CCCCCCOCCOCCOCCOCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1", "label": 1}, "2018": {"pro_comp_id": 1381, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "1381_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)/C=C/COCCOCCOCCOCCOCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1", "label": 1}, "2019": {"pro_comp_id": 1382, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "1382_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)/C=C/CCCCOCCOCCOCCOCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1", "label": 1}, "2020": {"pro_comp_id": 1383, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "1383_protac.mol2", "smiles": "N#C/C(=C/COCCOCCOCCOCCOCCOC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)C(=O)N1CCC[C@@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C3=C(N)N=CN=C32)C1", "label": 0}, "2021": {"pro_comp_id": 1384, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "1384_protac.mol2", "smiles": "N#C/C(=C/CCCCOCCOCCOCCOCCOC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)C(=O)N1CCC[C@@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C3=C(N)N=CN=C32)C1", "label": 0}, "2022": {"pro_comp_id": 1385, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "1385_protac.mol2", "smiles": "CC(C)(/C=C(/C#N)C(=O)N1CCC[C@@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C3=C(N)N=CN=C32)C1)CCCOCCOCCOCCOCCOC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 1}, "2023": {"pro_comp_id": 1386, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "1386_protac.mol2", "smiles": "N#C/C(=C/COCCOCCOCCOCCOC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)C(=O)N1CCC[C@@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C3=C(N)N=CN=C32)C1", "label": -1}, "2024": {"pro_comp_id": 1387, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "1387_protac.mol2", "smiles": "N#C/C(=C/COCCOCCOCCOC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)C(=O)N1CCC[C@@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C3=C(N)N=CN=C32)C1", "label": -1}, "2025": {"pro_comp_id": 1388, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "1388_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)OCCOCCOCCOCCOCCOCCN3C=C(CC/C=C(/C#N)C(=O)N4CCC[C@@H](N5N=C(C6=CC=C(OC7=CC=CC=C7)C=C6)C6=C(N)N=CN=C65)C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2026": {"pro_comp_id": 1389, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "1389_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)OCCOCCOCCOCCN3C=C(CC/C=C(/C#N)C(=O)N4CCC[C@@H](N5N=C(C6=CC=C(OC7=CC=CC=C7)C=C6)C6=C(N)N=CN=C65)C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2027": {"pro_comp_id": 1390, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "1390_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)OCCOCCOCCN3C=C(CC/C=C(/C#N)C(=O)N4CCC[C@@H](N5N=C(C6=CC=C(OC7=CC=CC=C7)C=C6)C6=C(N)N=CN=C65)C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2028": {"pro_comp_id": 1391, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "1391_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)OCCOCCN3C=C(CC/C=C(/C#N)C(=O)N4CCC[C@@H](N5N=C(C6=CC=C(OC7=CC=CC=C7)C=C6)C6=C(N)N=CN=C65)C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2029": {"pro_comp_id": 1392, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "1392_protac.mol2", "smiles": "N#C/C(=C/CCC1=CN(CCOCCOCCOCCOC(=O)NCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1)C(=O)N1CCC[C@@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C3=C(N)N=CN=C32)C1", "label": -1}, "2030": {"pro_comp_id": 1393, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "1393_protac.mol2", "smiles": "N#C/C(=C/CCC1=CN(CCOCCOCCOC(=O)NCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1)C(=O)N1CCC[C@@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C3=C(N)N=CN=C32)C1", "label": -1}, "2031": {"pro_comp_id": 1394, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "1394_protac.mol2", "smiles": "N#C/C(=C/CCC1=CN(CCOCCOC(=O)NCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1)C(=O)N1CCC[C@@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C3=C(N)N=CN=C32)C1", "label": -1}, "2032": {"pro_comp_id": 1395, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "1395_protac.mol2", "smiles": "N#C/C(=C/CCC1=CN(CCOCCOCCOCCOCCOCCOC(=O)NCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1)C(=O)N1CCC[C@@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C3=C(N)N=CN=C32)C1", "label": -1}, "2033": {"pro_comp_id": 1396, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "RNF4_P78317.pdb", "e3_lig_path": "RNF4_P78317_61_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "1396_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCOC1=CC=C(OC3=CC=C(N(CC4=CC=CC=C4)C(=O)CCl)C=C3)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "2034": {"pro_comp_id": 1397, "tar_path": "c-Met_P08581.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "c-Met_P08581_161_lig_smina_out.mol2", "protac_path": "1397_protac.mol2", "smiles": "CC1=C(C(=O)NCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C(C)=C(/C=C2\\C(=O)NC3=CC=C(S(=O)(=O)CC4=C(Cl)C=CC=C4Cl)C=C23)[NH]1", "label": 0}, "2035": {"pro_comp_id": 1398, "tar_path": "c-Met_P08581.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "c-Met_P08581_161_lig_smina_out.mol2", "protac_path": "1398_protac.mol2", "smiles": "CC1=C(C(=O)NCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C(C)=C(/C=C2\\C(=O)NC3=CC=C(S(=O)(=O)CC4=C(Cl)C=CC=C4Cl)C=C23)[NH]1", "label": 0}, "2036": {"pro_comp_id": 1399, "tar_path": "c-Met_P08581.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "c-Met_P08581_161_lig_smina_out.mol2", "protac_path": "1399_protac.mol2", "smiles": "CC1=C(C(=O)NCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C(C)=C(/C=C2\\C(=O)NC3=CC=C(S(=O)(=O)CC4=C(Cl)C=CC=C4Cl)C=C23)[NH]1", "label": 0}, "2037": {"pro_comp_id": 1400, "tar_path": "c-Met_P08581.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "c-Met_P08581_161_lig_smina_out.mol2", "protac_path": "1400_protac.mol2", "smiles": "CC1=C(C(=O)NCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C(C)=C(/C=C2\\C(=O)NC3=CC=C(S(=O)(=O)CC4=C(Cl)C=CC=C4Cl)C=C23)[NH]1", "label": 0}, "2038": {"pro_comp_id": 1401, "tar_path": "c-Met_P08581.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "c-Met_P08581_161_lig_smina_out.mol2", "protac_path": "1401_protac.mol2", "smiles": "CC1=C(C(=O)NCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C(C)=C(/C=C2\\C(=O)NC3=CC=C(S(=O)(=O)CC4=C(Cl)C=CC=C4Cl)C=C23)[NH]1", "label": 0}, "2039": {"pro_comp_id": 1402, "tar_path": "c-Met_P08581.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "c-Met_P08581_161_lig_smina_out.mol2", "protac_path": "1402_protac.mol2", "smiles": "CC1=C(C(=O)NCCCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)C(C)=C(/C=C2\\C(=O)NC3=CC=C(S(=O)(=O)CC4=C(Cl)C=CC=C4Cl)C=C23)[NH]1", "label": 0}, "2040": {"pro_comp_id": 1403, "tar_path": "c-Met_P08581.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "c-Met_P08581_161_lig_smina_out.mol2", "protac_path": "1403_protac.mol2", "smiles": "CC1=C(C(=O)NCCCCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)C(C)=C(/C=C2\\C(=O)NC3=CC=C(S(=O)(=O)CC4=C(Cl)C=CC=C4Cl)C=C23)[NH]1", "label": 0}, "2041": {"pro_comp_id": 1404, "tar_path": "c-Met_P08581.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "c-Met_P08581_161_lig_smina_out.mol2", "protac_path": "1404_protac.mol2", "smiles": "CC1=C(C(=O)NCCCCCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)C(C)=C(/C=C2\\C(=O)NC3=CC=C(S(=O)(=O)CC4=C(Cl)C=CC=C4Cl)C=C23)[NH]1", "label": 0}, "2042": {"pro_comp_id": 1405, "tar_path": "c-Met_P08581.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "c-Met_P08581_161_lig_smina_out.mol2", "protac_path": "1405_protac.mol2", "smiles": "CC1=C(C(=O)NCCCCCCCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)C(C)=C(/C=C2\\C(=O)NC3=CC=C(S(=O)(=O)CC4=C(Cl)C=CC=C4Cl)C=C23)[NH]1", "label": 0}, "2043": {"pro_comp_id": 1406, "tar_path": "c-Met_P08581.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "c-Met_P08581_161_lig_smina_out.mol2", "protac_path": "1406_protac.mol2", "smiles": "CC1=C(C(=O)NCCOCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)C(C)=C(/C=C2\\C(=O)NC3=CC=C(S(=O)(=O)CC4=C(Cl)C=CC=C4Cl)C=C23)[NH]1", "label": 0}, "2044": {"pro_comp_id": 1407, "tar_path": "c-Met_P08581.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "c-Met_P08581_161_lig_smina_out.mol2", "protac_path": "1407_protac.mol2", "smiles": "CC1=C(C(=O)NCCOCCOCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)C(C)=C(/C=C2\\C(=O)NC3=CC=C(S(=O)(=O)CC4=C(Cl)C=CC=C4Cl)C=C23)[NH]1", "label": 0}, "2045": {"pro_comp_id": 1408, "tar_path": "c-KIT_P10721.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "c-KIT_P10721_162_lig_smina_out.mol2", "protac_path": "1408_protac.mol2", "smiles": "CC1=C(C(=O)NCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C(C)=C(/C=C2\\C(=O)NC3=CC=C(F)C=C23)[NH]1", "label": 0}, "2046": {"pro_comp_id": 1409, "tar_path": "c-KIT_P10721.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "c-KIT_P10721_162_lig_smina_out.mol2", "protac_path": "1409_protac.mol2", "smiles": "CC1=C(C(=O)NCCCCCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C(C)=C(/C=C2\\C(=O)NC3=CC=C(F)C=C23)[NH]1", "label": 0}, "2047": {"pro_comp_id": 1410, "tar_path": "c-KIT_P10721.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "c-KIT_P10721_162_lig_smina_out.mol2", "protac_path": "1410_protac.mol2", "smiles": "CC1=C(C(=O)NCCCOCCOCCOCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C(C)=C(/C=C2\\C(=O)NC3=CC=C(F)C=C23)[NH]1", "label": 0}, "2048": {"pro_comp_id": 1411, "tar_path": "c-KIT_P10721.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "c-KIT_P10721_162_lig_smina_out.mol2", "protac_path": "1411_protac.mol2", "smiles": "CC1=C(C(=O)NCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C(C)=C(/C=C2\\C(=O)NC3=CC=C(F)C=C23)[NH]1", "label": 0}, "2049": {"pro_comp_id": 1412, "tar_path": "c-KIT_P10721.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "c-KIT_P10721_162_lig_smina_out.mol2", "protac_path": "1412_protac.mol2", "smiles": "CC1=C(C(=O)NCCCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C(C)=C(/C=C2\\C(=O)NC3=CC=C(F)C=C23)[NH]1", "label": 0}, "2050": {"pro_comp_id": 1413, "tar_path": "c-KIT_P10721.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "c-KIT_P10721_162_lig_smina_out.mol2", "protac_path": "1413_protac.mol2", "smiles": "CCN(CCCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)CCNC(=O)C1=C(C)[NH]C(/C=C2\\C(=O)NC3=CC=C(F)C=C23)=C1C", "label": 0}, "2051": {"pro_comp_id": 1414, "tar_path": "c-KIT_P10721.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "c-KIT_P10721_162_lig_smina_out.mol2", "protac_path": "1414_protac.mol2", "smiles": "CC1=C(C(=O)NCCCCCCCCNC(=O)C2=CC=C(CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)C(C)=C(/C=C2\\C(=O)NC3=CC=C(F)C=C23)[NH]1", "label": 0}, "2052": {"pro_comp_id": 1415, "tar_path": "c-KIT_P10721.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "c-KIT_P10721_162_lig_smina_out.mol2", "protac_path": "1415_protac.mol2", "smiles": "CC1=C(C(=O)NCCCCCCNC(=O)C2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)C(C)=C(/C=C2\\C(=O)NC3=CC=C(F)C=C23)[NH]1", "label": 0}, "2053": {"pro_comp_id": 1416, "tar_path": "c-KIT_P10721.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "c-KIT_P10721_162_lig_smina_out.mol2", "protac_path": "1416_protac.mol2", "smiles": "CC1=C(C(=O)NCCCCCCCCNC(=O)C2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)C(C)=C(/C=C2\\C(=O)NC3=CC=C(F)C=C23)[NH]1", "label": 0}, "2054": {"pro_comp_id": 1417, "tar_path": "c-KIT_P10721.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "c-KIT_P10721_162_lig_smina_out.mol2", "protac_path": "1417_protac.mol2", "smiles": "CC1=C(C(=O)NCCCCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)C(C)=C(/C=C2\\C(=O)NC3=CC=C(F)C=C23)[NH]1", "label": 0}, "2055": {"pro_comp_id": 1418, "tar_path": "c-KIT_P10721.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "c-KIT_P10721_162_lig_smina_out.mol2", "protac_path": "1418_protac.mol2", "smiles": "CC1=C(C(=O)NCCCCCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)C(C)=C(/C=C2\\C(=O)NC3=CC=C(F)C=C23)[NH]1", "label": 0}, "2056": {"pro_comp_id": 1419, "tar_path": "c-KIT_P10721.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "c-KIT_P10721_162_lig_smina_out.mol2", "protac_path": "1419_protac.mol2", "smiles": "CC1=C(C(=O)NCCCCCCCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)C(C)=C(/C=C2\\C(=O)NC3=CC=C(F)C=C23)[NH]1", "label": 0}, "2057": {"pro_comp_id": 1420, "tar_path": "c-KIT_P10721.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "c-KIT_P10721_162_lig_smina_out.mol2", "protac_path": "1420_protac.mol2", "smiles": "CC1=C(C(=O)NCCCCCCCCNC(=O)C2=CC=C(CNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)C=C2)C(C)=C(/C=C2\\C(=O)NC3=CC=C(F)C=C23)[NH]1", "label": 0}, "2058": {"pro_comp_id": 1421, "tar_path": "c-KIT_P10721.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "c-KIT_P10721_162_lig_smina_out.mol2", "protac_path": "1421_protac.mol2", "smiles": "CC1=C(C(=O)NCCOCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)C(C)=C(/C=C2\\C(=O)NC3=CC=C(F)C=C23)[NH]1", "label": 0}, "2059": {"pro_comp_id": 1422, "tar_path": "c-KIT_P10721.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "c-KIT_P10721_162_lig_smina_out.mol2", "protac_path": "1422_protac.mol2", "smiles": "CC1=C(C(=O)NCCOCCOCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)C(C)=C(/C=C2\\C(=O)NC3=CC=C(F)C=C23)[NH]1", "label": 0}, "2060": {"pro_comp_id": 1423, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "1423_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CC5=CN(CCOCCOCCOCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "2061": {"pro_comp_id": 1423, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "1423_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CC5=CN(CCOCCOCCOCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "2062": {"pro_comp_id": 1424, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "1424_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CN(C)CCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "2063": {"pro_comp_id": 1424, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "1424_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CN(C)CCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "2064": {"pro_comp_id": 1425, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "1425_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CNCCOCCOCCOCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "2065": {"pro_comp_id": 1425, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "1425_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CNCCOCCOCCOCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "2066": {"pro_comp_id": 1426, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "1426_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CNCCCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "2067": {"pro_comp_id": 1426, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "1426_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CNCCCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "2068": {"pro_comp_id": 1427, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_11_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "1427_protac.mol2", "smiles": "CCOC1=CC(C(C)(C)C)=CC=C1C1=N[C@@](C)(C2=CC=C(Cl)C=C2)[C@@](C)(C2=CC=C(Cl)C=C2)N1C(=O)N1CCN(CC(=O)NCCN(C)CC(=O)N2CCN(C3=CC=C(NC4=NC=C5C(C)=C(C(C)=O)C(=O)N(C6CCCC6)C5=N4)N=C3)CC2)CC1", "label": -1}, "2069": {"pro_comp_id": 1427, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_11_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "1427_protac.mol2", "smiles": "CCOC1=CC(C(C)(C)C)=CC=C1C1=N[C@@](C)(C2=CC=C(Cl)C=C2)[C@@](C)(C2=CC=C(Cl)C=C2)N1C(=O)N1CCN(CC(=O)NCCN(C)CC(=O)N2CCN(C3=CC=C(NC4=NC=C5C(C)=C(C(C)=O)C(=O)N(C6CCCC6)C5=N4)N=C3)CC2)CC1", "label": -1}, "2070": {"pro_comp_id": 1428, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK4_P11802_54_lig_smina_out.mol2", "protac_path": "1428_protac.mol2", "smiles": "CC1=NC2=C(F)C=C(C3=NC(NC4=CC=C(CN5CCN(CCNC(=O)COC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=N4)=NC=C3F)C=C2N1C(C)C", "label": -1}, "2071": {"pro_comp_id": 1428, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK6_Q00534_54_lig_smina_out.mol2", "protac_path": "1428_protac.mol2", "smiles": "CC1=NC2=C(F)C=C(C3=NC(NC4=CC=C(CN5CCN(CCNC(=O)COC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=N4)=NC=C3F)C=C2N1C(C)C", "label": -1}, "2072": {"pro_comp_id": 1429, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_193_lig_smina_out.mol2", "protac_path": "1429_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCCCCOC3=CC=C(N4C(=O)N(C5=CC=C(C#N)C(C(F)(F)F)=C5)C(=O)C4(C)C)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "2073": {"pro_comp_id": 1430, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "1430_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCN3CCC(C4=CC=C(N5C(=S)N(C6=CC=C(C#N)C(C(F)(F)F)=C6)C(=O)C5(C)C)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "2074": {"pro_comp_id": 1431, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "1431_protac.mol2", "smiles": "CC(C)(C)[C@H](NC(=O)COCCCCCOC1=CC=C(C(=O)N[C@H]2C(C)(C)[C@H](OC3=CC=C(C#N)C(Cl)=C3)C2(C)C)C=C1)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=CN=CS2)C=C1", "label": 0}, "2075": {"pro_comp_id": 1432, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "1432_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCCNC3=CC=C(C(=O)N[C@H]4C(C)(C)[C@H](OC5=CC=C(C#N)C(Cl)=C5)C4(C)C)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "2076": {"pro_comp_id": 1433, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "1433_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCC3=CC=C(C4=CC=C(C(=O)N[C@H]5C(C)(C)[C@H](OC6=CC=C(C#N)C(Cl)=C6)C5(C)C)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "2077": {"pro_comp_id": 1434, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_163_lig_smina_out.mol2", "protac_path": "1434_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCC3=CC=C(OC(=O)N[C@H]4C(C)(C)[C@H](OC5=CC=C(C#N)C(Cl)=C5)C4(C)C)C=C3)C(C)(C)C)C=C2)OC=N1", "label": 0}, "2078": {"pro_comp_id": 1435, "tar_path": "Tau_P10636.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Tau_P10636_149_lig_smina_out.mol2", "protac_path": "1435_protac.mol2", "smiles": "O=C(CCC1=CC=C2C(=C1)[NH]C1=CC=NC=C12)NCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "2079": {"pro_comp_id": 1436, "tar_path": "Tau_P10636.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Tau_P10636_149_lig_smina_out.mol2", "protac_path": "1436_protac.mol2", "smiles": "O=C(CCC1=CC=C2C(=C1)[NH]C1=CC=NC=C12)NCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "2080": {"pro_comp_id": 1437, "tar_path": "Tau_P10636.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Tau_P10636_149_lig_smina_out.mol2", "protac_path": "1437_protac.mol2", "smiles": "O=C(CCC1=CC=C2C(=C1)[NH]C1=CC=NC=C12)NCCOCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "2081": {"pro_comp_id": 1438, "tar_path": "Tau_P10636.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "Tau_P10636_149_lig_smina_out.mol2", "protac_path": "1438_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCNC(=O)CCC3=CC=C4C(=C3)[NH]C3=CC=NC=C34)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2082": {"pro_comp_id": 1439, "tar_path": "Tau_P10636.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "Tau_P10636_149_lig_smina_out.mol2", "protac_path": "1439_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCNC(=O)CCC3=CC=C4C(=C3)[NH]C3=CC=NC=C34)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2083": {"pro_comp_id": 1440, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_62_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "1440_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCCCCN1CCN(C3=CC=C(NC4CCC(=O)NC4=O)C=C3)CC1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "2084": {"pro_comp_id": 1441, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_62_lig_smina_out.mol2", "war_path": "BRD4_O60885_164_lig_smina_out.mol2", "protac_path": "1441_protac.mol2", "smiles": "CC1=NN=C2N1C1=CC=C(C3=CN(CCCCCCN4CCN(C5=CC=C(NC6CCC(=O)NC6=O)C=C5)CC4)N=C3)C=C1C(C1=CC=C(Cl)C=C1)=NC21CC1", "label": -1}, "2085": {"pro_comp_id": 1442, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "1442_protac.mol2", "smiles": "CC1(C)[C@H](NC(=O)C2=CC=C(OCCCCCOCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1", "label": -1}, "2086": {"pro_comp_id": 1443, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "1443_protac.mol2", "smiles": "CC1(C)C(=O)N(C2=CC=C(C#N)C(C(F)(F)F)=C2)C(=S)N1C1=CC=C(C2=CC=C(OCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)C=C1", "label": -1}, "2087": {"pro_comp_id": 1444, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "1444_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NC1=CC=C(OCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "2088": {"pro_comp_id": 1445, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "1445_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NC1=CC=C(OCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "2089": {"pro_comp_id": 1446, "tar_path": "TBK1_Q9UHD2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TBK1_Q9UHD2_165_lig_smina_out.mol2", "protac_path": "1446_protac.mol2", "smiles": "CN(CCCNC1=NC(NC2=CC=C(OCCOCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=NC=C1Br)C(=O)C1CCC1", "label": -1}, "2090": {"pro_comp_id": 1447, "tar_path": "TBK1_Q9UHD2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TBK1_Q9UHD2_165_lig_smina_out.mol2", "protac_path": "1447_protac.mol2", "smiles": "CN(CCCNC1=NC(NC2=CC=C(OCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=NC=C1Br)C(=O)C1CCC1", "label": -1}, "2091": {"pro_comp_id": 1448, "tar_path": "ERRalpha_P11474.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ERRalpha_P11474_51_lig_smina_out.mol2", "protac_path": "1448_protac.mol2", "smiles": "COC1=CC(/C=C2\\SC(=O)N(CCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2=O)=CC=C1OC1=CC=C(C#N)C=C1C(F)(F)F", "label": -1}, "2092": {"pro_comp_id": 1449, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "1449_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)N[C@@H](C)C1=CC=C(OCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "2093": {"pro_comp_id": 1450, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "1450_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCOCCNC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "2094": {"pro_comp_id": 1451, "tar_path": "IRAK4_Q9NWZ3.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IRAK4_Q9NWZ3_166_lig_smina_out.mol2", "protac_path": "1451_protac.mol2", "smiles": "NCC1=NN(C2=CC=C(C(=O)NCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)C=C1NC(=O)C1=COC(C2=CC=NC(NCC(F)(F)F)=C2)=N1", "label": 0}, "2095": {"pro_comp_id": 1452, "tar_path": "IRAK4_Q9NWZ3.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IRAK4_Q9NWZ3_166_lig_smina_out.mol2", "protac_path": "1452_protac.mol2", "smiles": "NC(=O)C1=NN(C2=CC=C(C(=O)NCC3CCCCN3CCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)C=C1NC(=O)C1=COC(C2=CC=NC(NCC(F)(F)F)=C2)=N1", "label": 0}, "2096": {"pro_comp_id": 1453, "tar_path": "IRAK4_Q9NWZ3.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IRAK4_Q9NWZ3_167_lig_smina_out.mol2", "protac_path": "1453_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCNCCOCCNC(=O)C4=CC=C(N5C=C(NC(=O)C6=COC(C7=CC=NC(NCC8CC8)=C7)=N6)C(C(F)(F)F)=N5)C=C4)=C3C2=O)C(=O)N1", "label": 0}, "2097": {"pro_comp_id": 1454, "tar_path": "IRAK4_Q9NWZ3.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IRAK4_Q9NWZ3_168_lig_smina_out.mol2", "protac_path": "1454_protac.mol2", "smiles": "CN(CCOCCOCCCC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1)C(=O)C1=CC=C(N2C=C(NC(=O)C3=COC(C4=CC=NC(NCC5CC5)=C4)=N3)C(C(N)=O)=N2)C=C1", "label": 0}, "2098": {"pro_comp_id": 1455, "tar_path": "IRAK4_Q9NWZ3.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_63_lig_smina_out.mol2", "war_path": "IRAK4_Q9NWZ3_169_lig_smina_out.mol2", "protac_path": "1455_protac.mol2", "smiles": "O=C1CCC(N2C(=O)OC3=C(CCCOCCOCCNC(=O)C4=CC=C(N5C=C(NC(=O)C6=COC(C7=CC=NC(NCC8CC8)=C7)=N6)C(C(F)F)=N5)C=C4)C=CC=C32)C(=O)N1", "label": 0}, "2099": {"pro_comp_id": 1456, "tar_path": "IRAK4_Q9NWZ3.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IRAK4_Q9NWZ3_170_lig_smina_out.mol2", "protac_path": "1456_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NC4CCN(CCOCCOCCNC(=O)C5=CC=C(N6C=C(NC(=O)C7=COC(C8=CC=NC(NCC(F)(F)F)=C8)=N7)C(C(F)F)=N6)C=C5)CC4)=C3C2=O)C(=O)N1", "label": 0}, "2100": {"pro_comp_id": 1457, "tar_path": "IRAK4_Q9NWZ3.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IRAK4_Q9NWZ3_166_lig_smina_out.mol2", "protac_path": "1457_protac.mol2", "smiles": "NC(=O)C1=NN(C2=CC=C(CNCC3CN(CCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CCO3)C=C2)C=C1NC(=O)C1=COC(C2=CC=NC(NCC(F)(F)F)=C2)=N1", "label": 0}, "2101": {"pro_comp_id": 1458, "tar_path": "IRAK4_Q9NWZ3.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IRAK4_Q9NWZ3_168_lig_smina_out.mol2", "protac_path": "1458_protac.mol2", "smiles": "CN(CCOCCOCCCC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1)CC1=CC=C(N2C=C(NC(=O)C3=COC(C4=CC=NC(NCC5CC5)=C4)=N3)C(C(N)=O)=N2)C=C1", "label": 0}, "2102": {"pro_comp_id": 1459, "tar_path": "IRAK4_Q9NWZ3.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IRAK4_Q9NWZ3_171_lig_smina_out.mol2", "protac_path": "1459_protac.mol2", "smiles": "CN(CCOCCOCCCC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1)CC1=CC=C(N2C=C(NC(=O)C3=COC(C4=CC=NC=C4)=N3)C(C(N)=O)=N2)C=C1", "label": 0}, "2103": {"pro_comp_id": 1460, "tar_path": "IRAK4_Q9NWZ3.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IRAK4_Q9NWZ3_168_lig_smina_out.mol2", "protac_path": "1460_protac.mol2", "smiles": "CN(CCOCCCC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC1=CC=C(N2C=C(NC(=O)C3=COC(C4=CC=NC(NCC5CC5)=C4)=N3)C(C(N)=O)=N2)C=C1", "label": 0}, "2104": {"pro_comp_id": 1461, "tar_path": "IRAK4_Q9NWZ3.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IRAK4_Q9NWZ3_172_lig_smina_out.mol2", "protac_path": "1461_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(OCCOCCOCCN4CCN(CC5=CC=C6N=C(NC(=O)C7=CC=CC(C(F)(F)F)=C7)N([C@H]7CC[C@@H](CO)CC7)C6=C5)CC4)C=C3C2=O)C(=O)N1", "label": 0}, "2105": {"pro_comp_id": 1462, "tar_path": "IRAK4_Q9NWZ3.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IRAK4_Q9NWZ3_172_lig_smina_out.mol2", "protac_path": "1462_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(OCCOCCOCCOCCN4CCN(CC5=CC=C6N=C(NC(=O)C7=CC=CC(C(F)(F)F)=C7)N([C@H]7CC[C@@H](CO)CC7)C6=C5)CC4)C=C3C2=O)C(=O)N1", "label": 0}, "2106": {"pro_comp_id": 1463, "tar_path": "IRAK4_Q9NWZ3.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IRAK4_Q9NWZ3_172_lig_smina_out.mol2", "protac_path": "1463_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(N4CCC(CN5CCN(CC6=CC=C7N=C(NC(=O)C8=CC=CC(C(F)(F)F)=C8)N([C@H]8CC[C@@H](CO)CC8)C7=C6)CC5)CC4)C=C3C2=O)C(=O)N1", "label": 0}, "2107": {"pro_comp_id": 1464, "tar_path": "IRAK4_Q9NWZ3.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IRAK4_Q9NWZ3_173_lig_smina_out.mol2", "protac_path": "1464_protac.mol2", "smiles": "COC1=CC2=NN(C3CCN(CCOCCOC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2C=C1NC(=O)C1=CC=CC(C(F)(F)F)=N1", "label": 0}, "2108": {"pro_comp_id": 1465, "tar_path": "IRAK4_Q9NWZ3.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "IRAK4_Q9NWZ3_173_lig_smina_out.mol2", "protac_path": "1465_protac.mol2", "smiles": "COC1=CC2=NN(C3CCN(CCOCCOC4=CC=C5CN(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2C=C1NC(=O)C1=CC=CC(C(F)(F)F)=N1", "label": 0}, "2109": {"pro_comp_id": 1466, "tar_path": "IRAK4_Q9NWZ3.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IRAK4_Q9NWZ3_172_lig_smina_out.mol2", "protac_path": "1466_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(OC4CCC(CN5CCN(CC6=CC=C7N=C(NC(=O)C8=CC=CC(C(F)(F)F)=C8)N([C@H]8CC[C@@H](CO)CC8)C7=C6)CC5)CC4)C=C3C2=O)C(=O)N1", "label": 0}, "2110": {"pro_comp_id": 1467, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_174_lig_smina_out.mol2", "protac_path": "1467_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOC3=CC(F)=C([C@@H]4C5=C(C[C@@H](C)N4CC(C)(C)F)C4=CC=CC=C4[NH]5)C(F)=C3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "2111": {"pro_comp_id": 1468, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ER_P03372_174_lig_smina_out.mol2", "protac_path": "1468_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCOC3=CC(F)=C([C@@H]4C5=C(C[C@@H](C)N4CC(C)(C)F)C4=CC=CC=C4[NH]5)C(F)=C3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "2112": {"pro_comp_id": 1469, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ER_P03372_174_lig_smina_out.mol2", "protac_path": "1469_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOC3=CC(F)=C([C@@H]4C5=C(C[C@@H](C)N4CC(C)(C)F)C4=CC=CC=C4[NH]5)C(F)=C3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "2113": {"pro_comp_id": 1470, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ER_P03372_174_lig_smina_out.mol2", "protac_path": "1470_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCCOC3=CC(F)=C([C@@H]4C5=C(C[C@@H](C)N4CC(C)(C)F)C4=CC=CC=C4[NH]5)C(F)=C3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "2114": {"pro_comp_id": 1471, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ER_P03372_174_lig_smina_out.mol2", "protac_path": "1471_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCC(F)(F)CCOC3=CC(F)=C([C@@H]4C5=C(C[C@@H](C)N4CC(C)(C)F)C4=CC=CC=C4[NH]5)C(F)=C3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "2115": {"pro_comp_id": 1472, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ER_P03372_174_lig_smina_out.mol2", "protac_path": "1472_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCCCCOC3=CC(F)=C([C@@H]4C5=C(C[C@@H](C)N4CC(C)(C)F)C4=CC=CC=C4[NH]5)C(F)=C3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "2116": {"pro_comp_id": 1473, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_P00533_175_lig_smina_out.mol2", "protac_path": "1473_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCC(=O)N4CCN(C5=CC=C(C6=CC=C7CN(C(C(=O)NC8=NC=CS8)C8=CC=CC=C8)C(=O)C7=C6)C=C5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "2117": {"pro_comp_id": 1473, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_P00533_175_lig_smina_out.mol2", "protac_path": "1473_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCC(=O)N4CCN(C5=CC=C(C6=CC=C7CN(C(C(=O)NC8=NC=CS8)C8=CC=CC=C8)C(=O)C7=C6)C=C5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "2118": {"pro_comp_id": 1474, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_P00533_175_lig_smina_out.mol2", "protac_path": "1474_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCN4CCN(C5=CC=C(C6=CC=C7CN(C(C(=O)NC8=NC=CS8)C8=CC=CC=C8)C(=O)C7=C6)C=C5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "2119": {"pro_comp_id": 1475, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_P00533_175_lig_smina_out.mol2", "protac_path": "1475_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOCCN4CCN(C5=CC=C(C6=CC=C7CN(C(C(=O)NC8=NC=CS8)C8=CC=CC=C8)C(=O)C7=C6)C=C5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "2120": {"pro_comp_id": 1476, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_P00533_176_lig_smina_out.mol2", "protac_path": "1476_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCN4CCN(C5=CC=C(C6=CC=C7CN(C(C(=O)NC8=NC=CS8)C8=CC=CC=C8)C(=O)C7=C6)C=N5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "2121": {"pro_comp_id": 1476, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_P00533_176_lig_smina_out.mol2", "protac_path": "1476_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCN4CCN(C5=CC=C(C6=CC=C7CN(C(C(=O)NC8=NC=CS8)C8=CC=CC=C8)C(=O)C7=C6)C=N5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "2122": {"pro_comp_id": 1476, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_P00533_176_lig_smina_out.mol2", "protac_path": "1476_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCN4CCN(C5=CC=C(C6=CC=C7CN(C(C(=O)NC8=NC=CS8)C8=CC=CC=C8)C(=O)C7=C6)C=N5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "2123": {"pro_comp_id": 1477, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "1477_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CC(=O)NCCOCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "2124": {"pro_comp_id": 1478, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "1478_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(C(=O)COCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": -1}, "2125": {"pro_comp_id": 1479, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "1479_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(C(=O)CCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": -1}, "2126": {"pro_comp_id": 1480, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_105_lig_smina_out.mol2", "protac_path": "1480_protac.mol2", "smiles": "C=CC(=O)N1CCN(C2=NC(NCCC(=O)N(C)CCOCCOCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=NC3=C(F)C(C4=CC(O)=CC5=CC=CC=C45)=C(Cl)C=C23)CC1", "label": 0}, "2127": {"pro_comp_id": 1481, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_105_lig_smina_out.mol2", "protac_path": "1481_protac.mol2", "smiles": "C=CC(=O)N1CCN(C2=NC(NCCC(=O)N(C)CCOCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=NC3=C(F)C(C4=CC(O)=CC5=CC=CC=C45)=C(Cl)C=C23)CC1", "label": 0}, "2128": {"pro_comp_id": 1482, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_105_lig_smina_out.mol2", "protac_path": "1482_protac.mol2", "smiles": "C=CC(=O)N1CCN(C2=NC(NCCC(=O)N(C)CCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=NC3=C(F)C(C4=CC(O)=CC5=CC=CC=C45)=C(Cl)C=C23)CC1", "label": 0}, "2129": {"pro_comp_id": 1483, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_105_lig_smina_out.mol2", "protac_path": "1483_protac.mol2", "smiles": "C=CC(=O)N1CCN(C2=NC(NCCC(=O)N(C)CCOCCOCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=NC3=C(F)C(C4=CC(O)=CC5=CC=CC=C45)=C(Cl)C=C23)CC1", "label": 0}, "2130": {"pro_comp_id": 1484, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "KRAS_P01116_177_lig_smina_out.mol2", "protac_path": "1484_protac.mol2", "smiles": "CCC(=O)N1CCN(C2=NC(NCCC(=O)N(C)CCOCCOCCOCCOCCOC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)CC4=C3)=NC3=C(F)C(C4=CC(O)=CC5=CC=CC=C45)=C(Cl)C=C23)CC1", "label": 0}, "2131": {"pro_comp_id": 1485, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "KRAS_P01116_177_lig_smina_out.mol2", "protac_path": "1485_protac.mol2", "smiles": "CCC(=O)N1CCN(C2=NC(NCCC(=O)N(C)CCOCCOCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=NC3=C(F)C(C4=CC(O)=CC5=CC=CC=C45)=C(Cl)C=C23)CC1", "label": 0}, "2132": {"pro_comp_id": 1486, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SHP2_Q06124_178_lig_smina_out.mol2", "protac_path": "1486_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCNC(=O)CC(=O)NC3=CC=CC(SC4=NC=C(N5CCC(C)(N)CC5)N=C4N)=C3Cl)C(C)(C)C)C=C2)SC=N1", "label": 0}, "2133": {"pro_comp_id": 1487, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SHP2_Q06124_178_lig_smina_out.mol2", "protac_path": "1487_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCNC(=O)CC(=O)NC3=CC=CC(SC4=NC=C(N5CCC(C)(N)CC5)N=C4N)=C3Cl)C(C)(C)C)C=C2)SC=N1", "label": 0}, "2134": {"pro_comp_id": 1488, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SHP2_Q06124_178_lig_smina_out.mol2", "protac_path": "1488_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCNC(=O)CC(=O)NC3=CC=CC(SC4=NC=C(N5CCC(C)(N)CC5)N=C4N)=C3Cl)C(C)(C)C)C=C2)SC=N1", "label": 0}, "2135": {"pro_comp_id": 1489, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SHP2_Q06124_178_lig_smina_out.mol2", "protac_path": "1489_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCNC(=O)CC(=O)NC3=CC=CC(SC4=NC=C(N5CCC(C)(N)CC5)N=C4N)=C3Cl)C(C)(C)C)C=C2)SC=N1", "label": 0}, "2136": {"pro_comp_id": 1490, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SHP2_Q06124_178_lig_smina_out.mol2", "protac_path": "1490_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCNC(=O)CC(=O)NC3=CC=CC(SC4=NC=C(N5CCC(C)(N)CC5)N=C4N)=C3Cl)C(C)(C)C)C=C2)SC=N1", "label": 0}, "2137": {"pro_comp_id": 1491, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SHP2_Q06124_178_lig_smina_out.mol2", "protac_path": "1491_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCNC(=O)CC(=O)NC3=CC=CC(SC4=NC=C(N5CCC(C)(N)CC5)N=C4N)=C3Cl)C(C)(C)C)C=C2)SC=N1", "label": 0}, "2138": {"pro_comp_id": 1492, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SHP2_Q06124_178_lig_smina_out.mol2", "protac_path": "1492_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCNC(=O)CC(=O)NC3=CC=CC(SC4=NC=C(N5CCC(C)(N)CC5)N=C4N)=C3Cl)C(C)(C)C)C=C2)SC=N1", "label": 1}, "2139": {"pro_comp_id": 1493, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SHP2_Q06124_178_lig_smina_out.mol2", "protac_path": "1493_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCNC(=O)CC(=O)NC3=CC=CC(SC4=NC=C(N5CCC(C)(N)CC5)N=C4N)=C3Cl)C(C)(C)C)C=C2)SC=N1", "label": 1}, "2140": {"pro_comp_id": 1494, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SHP2_Q06124_178_lig_smina_out.mol2", "protac_path": "1494_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNC(=O)CC(=O)NC3=CC=CC(SC4=NC=C(N5CCC(C)(N)CC5)N=C4N)=C3Cl)C(C)(C)C)C=C2)SC=N1", "label": 1}, "2141": {"pro_comp_id": 1495, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SHP2_Q06124_178_lig_smina_out.mol2", "protac_path": "1495_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCNC(=O)CC(=O)NC3=CC=CC(SC4=NC=C(N5CCC(C)(N)CC5)N=C4N)=C3Cl)C(C)(C)C)C=C2)SC=N1", "label": 1}, "2142": {"pro_comp_id": 1496, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SHP2_Q06124_178_lig_smina_out.mol2", "protac_path": "1496_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNC(=O)CCC(=O)NC3=CC=CC(SC4=NC=C(N5CCC(C)(N)CC5)N=C4N)=C3Cl)C(C)(C)C)C=C2)SC=N1", "label": 1}, "2143": {"pro_comp_id": 1497, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SHP2_Q06124_178_lig_smina_out.mol2", "protac_path": "1497_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCNC(=O)CCC(=O)NC3=CC=CC(SC4=NC=C(N5CCC(C)(N)CC5)N=C4N)=C3Cl)C(C)(C)C)C=C2)SC=N1", "label": 1}, "2144": {"pro_comp_id": 1498, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SHP2_Q06124_178_lig_smina_out.mol2", "protac_path": "1498_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCNC(=O)CCCC(=O)NC3=CC=CC(SC4=NC=C(N5CCC(C)(N)CC5)N=C4N)=C3Cl)C(C)(C)C)C=C2)SC=N1", "label": 1}, "2145": {"pro_comp_id": 1499, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SHP2_Q06124_178_lig_smina_out.mol2", "protac_path": "1499_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)CCC(=O)NC3=CC=CC(SC4=NC=C(N5CCC(C)(N)CC5)N=C4N)=C3Cl)C(C)(C)C)C=C2)SC=N1", "label": 1}, "2146": {"pro_comp_id": 1500, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SHP2_Q06124_178_lig_smina_out.mol2", "protac_path": "1500_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCNC(=O)CCC(=O)NC3=CC=CC(SC4=NC=C(N5CCC(C)(N)CC5)N=C4N)=C3Cl)C(C)(C)C)C=C2)SC=N1", "label": 0}, "2147": {"pro_comp_id": 1501, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SHP2_Q06124_178_lig_smina_out.mol2", "protac_path": "1501_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCNC(=O)CCC(=O)NC3=CC=CC(SC4=NC=C(N5CCC(C)(N)CC5)N=C4N)=C3Cl)C(C)(C)C)C=C2)SC=N1", "label": 0}, "2148": {"pro_comp_id": 1502, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SHP2_Q06124_178_lig_smina_out.mol2", "protac_path": "1502_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCN3CCN(CC(=O)NC4=CC=CC(SC5=NC=C(N6CCC(C)(N)CC6)N=C5N)=C4Cl)CC3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "2149": {"pro_comp_id": 1503, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SHP2_Q06124_178_lig_smina_out.mol2", "protac_path": "1503_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCN3CCN(CC(=O)NC4=CC=CC(SC5=NC=C(N6CCC(C)(N)CC6)N=C5N)=C4Cl)CC3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "2150": {"pro_comp_id": 1504, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SHP2_Q06124_178_lig_smina_out.mol2", "protac_path": "1504_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)NC3=CC=CC(SC4=NC=C(N5CCC(C)(N)CC5)N=C4N)=C3Cl)C(C)(C)C)C=C2)SC=N1", "label": 0}, "2151": {"pro_comp_id": 1505, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SHP2_Q06124_178_lig_smina_out.mol2", "protac_path": "1505_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCN3CCN(C(=O)CCC(=O)NC4=CC=CC(SC5=NC=C(N6CCC(C)(N)CC6)N=C5N)=C4Cl)CC3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "2152": {"pro_comp_id": 1506, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SHP2_Q06124_178_lig_smina_out.mol2", "protac_path": "1506_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCN3CCN(C(=O)CCC(=O)NC4=CC=CC(SC5=NC=C(N6CCC(C)(N)CC6)N=C5N)=C4Cl)CC3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "2153": {"pro_comp_id": 1507, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SHP2_Q06124_178_lig_smina_out.mol2", "protac_path": "1507_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCOC3=CC=C(NC(=O)CCC(=O)NC4=CC=CC(SC5=NC=C(N6CCC(C)(N)CC6)N=C5N)=C4Cl)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "2154": {"pro_comp_id": 1508, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SHP2_Q06124_178_lig_smina_out.mol2", "protac_path": "1508_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCN3CCN(CCCCNC(=O)CCC(=O)NC4=CC=CC(SC5=NC=C(N6CCC(C)(N)CC6)N=C5N)=C4Cl)CC3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "2155": {"pro_comp_id": 1509, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_179_lig_smina_out.mol2", "protac_path": "1509_protac.mol2", "smiles": "CN(C1=NC=CC=C1CNC1=NC(NC2=CC=C(NC(=O)C3=CN(CCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O", "label": 1}, "2156": {"pro_comp_id": 1509, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_179_lig_smina_out.mol2", "protac_path": "1509_protac.mol2", "smiles": "CN(C1=NC=CC=C1CNC1=NC(NC2=CC=C(NC(=O)C3=CN(CCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O", "label": 1}, "2157": {"pro_comp_id": 1509, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_179_lig_smina_out.mol2", "protac_path": "1509_protac.mol2", "smiles": "CN(C1=NC=CC=C1CNC1=NC(NC2=CC=C(NC(=O)C3=CN(CCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O", "label": 1}, "2163": {"pro_comp_id": 1515, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "1515_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3=CC(F)=C(/N=N/C4=C(F)C=C(C(=O)NC[C@@H]5N=C(C6=CC=C(Cl)C=C6)C6=C(SC(C)=C6C)N6C(C)=NN=C56)C=C4F)C(F)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2164": {"pro_comp_id": 1516, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "1516_protac.mol2", "smiles": "COC1=CC(/N=N/C2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=CC(OC)=C1OCC(=O)NCCNC(=O)C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C2=C(SC(C)=C2C)N2C(C)=NN=C12", "label": -1}, "2165": {"pro_comp_id": 1516, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "1516_protac.mol2", "smiles": "COC1=CC(/N=N/C2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=CC(OC)=C1OCC(=O)NCCNC(=O)C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C2=C(SC(C)=C2C)N2C(C)=NN=C12", "label": -1}, "2166": {"pro_comp_id": 1516, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "1516_protac.mol2", "smiles": "COC1=CC(/N=N/C2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=CC(OC)=C1OCC(=O)NCCNC(=O)C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C2=C(SC(C)=C2C)N2C(C)=NN=C12", "label": -1}, "2167": {"pro_comp_id": 1517, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "1517_protac.mol2", "smiles": "COC1=CC(/N=N/C2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=CC(OC)=C1OCC(=O)NCCCNC(=O)C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C2=C(SC(C)=C2C)N2C(C)=NN=C12", "label": -1}, "2168": {"pro_comp_id": 1517, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "1517_protac.mol2", "smiles": "COC1=CC(/N=N/C2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=CC(OC)=C1OCC(=O)NCCCNC(=O)C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C2=C(SC(C)=C2C)N2C(C)=NN=C12", "label": -1}, "2169": {"pro_comp_id": 1517, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "1517_protac.mol2", "smiles": "COC1=CC(/N=N/C2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=CC(OC)=C1OCC(=O)NCCCNC(=O)C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C2=C(SC(C)=C2C)N2C(C)=NN=C12", "label": -1}, "2170": {"pro_comp_id": 1518, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "1518_protac.mol2", "smiles": "COC1=CC(/N=N/C2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=CC(OC)=C1OCC(=O)NCCCCNC(=O)C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C2=C(SC(C)=C2C)N2C(C)=NN=C12", "label": -1}, "2171": {"pro_comp_id": 1518, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "1518_protac.mol2", "smiles": "COC1=CC(/N=N/C2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=CC(OC)=C1OCC(=O)NCCCCNC(=O)C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C2=C(SC(C)=C2C)N2C(C)=NN=C12", "label": -1}, "2172": {"pro_comp_id": 1518, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "1518_protac.mol2", "smiles": "COC1=CC(/N=N/C2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=CC(OC)=C1OCC(=O)NCCCCNC(=O)C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C2=C(SC(C)=C2C)N2C(C)=NN=C12", "label": -1}, "2173": {"pro_comp_id": 1519, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "1519_protac.mol2", "smiles": "COC1=CC(/N=N/C2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=CC(OC)=C1OCC(=O)NCCCCCNC(=O)C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C2=C(SC(C)=C2C)N2C(C)=NN=C12", "label": -1}, "2174": {"pro_comp_id": 1519, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "1519_protac.mol2", "smiles": "COC1=CC(/N=N/C2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=CC(OC)=C1OCC(=O)NCCCCCNC(=O)C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C2=C(SC(C)=C2C)N2C(C)=NN=C12", "label": -1}, "2175": {"pro_comp_id": 1519, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "1519_protac.mol2", "smiles": "COC1=CC(/N=N/C2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=CC(OC)=C1OCC(=O)NCCCCCNC(=O)C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C2=C(SC(C)=C2C)N2C(C)=NN=C12", "label": -1}, "2176": {"pro_comp_id": 1520, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "1520_protac.mol2", "smiles": "COC1=CC(/N=N/C2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=CC(OC)=C1OCC(=O)NCCCCCCNC(=O)C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C2=C(SC(C)=C2C)N2C(C)=NN=C12", "label": -1}, "2177": {"pro_comp_id": 1520, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "1520_protac.mol2", "smiles": "COC1=CC(/N=N/C2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=CC(OC)=C1OCC(=O)NCCCCCCNC(=O)C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C2=C(SC(C)=C2C)N2C(C)=NN=C12", "label": -1}, "2178": {"pro_comp_id": 1520, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "1520_protac.mol2", "smiles": "COC1=CC(/N=N/C2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=CC(OC)=C1OCC(=O)NCCCCCCNC(=O)C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C2=C(SC(C)=C2C)N2C(C)=NN=C12", "label": -1}, "2179": {"pro_comp_id": 1521, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "1521_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCNC(=O)COC1=CC=C(/N=N/C3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "2180": {"pro_comp_id": 1521, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "1521_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCNC(=O)COC1=CC=C(/N=N/C3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "2181": {"pro_comp_id": 1521, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "1521_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCNC(=O)COC1=CC=C(/N=N/C3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "2182": {"pro_comp_id": 1522, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "1522_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)COC1=CC=C(/N=N/C3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "2183": {"pro_comp_id": 1522, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "1522_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)COC1=CC=C(/N=N/C3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "2184": {"pro_comp_id": 1522, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "1522_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)COC1=CC=C(/N=N/C3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "2185": {"pro_comp_id": 1523, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "1523_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCCNC(=O)COC1=CC=C(/N=N/C3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "2186": {"pro_comp_id": 1523, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "1523_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCCNC(=O)COC1=CC=C(/N=N/C3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "2187": {"pro_comp_id": 1523, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "1523_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCCNC(=O)COC1=CC=C(/N=N/C3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "2188": {"pro_comp_id": 1524, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "1524_protac.mol2", "smiles": "COC1=CC(/N=N/C2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)=CC(OC)=C1OCC(=O)NCCNC(=O)C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C2=C(SC(C)=C2C)N2C(C)=NN=C12", "label": -1}, "2189": {"pro_comp_id": 1524, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "1524_protac.mol2", "smiles": "COC1=CC(/N=N/C2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)=CC(OC)=C1OCC(=O)NCCNC(=O)C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C2=C(SC(C)=C2C)N2C(C)=NN=C12", "label": -1}, "2190": {"pro_comp_id": 1524, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "1524_protac.mol2", "smiles": "COC1=CC(/N=N/C2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)=CC(OC)=C1OCC(=O)NCCNC(=O)C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C2=C(SC(C)=C2C)N2C(C)=NN=C12", "label": -1}, "2191": {"pro_comp_id": 1525, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "1525_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NC1=CC=C(/N=N/C3=CC=C(NC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "2192": {"pro_comp_id": 1525, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "1525_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NC1=CC=C(/N=N/C3=CC=C(NC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "2193": {"pro_comp_id": 1525, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "1525_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NC1=CC=C(/N=N/C3=CC=C(NC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "2194": {"pro_comp_id": 1526, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "1526_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC1=CC=C(/N=N/C3=CC=C(NC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "2195": {"pro_comp_id": 1526, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "1526_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC1=CC=C(/N=N/C3=CC=C(NC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "2196": {"pro_comp_id": 1526, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "1526_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC1=CC=C(/N=N/C3=CC=C(NC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "2197": {"pro_comp_id": 1527, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "1527_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCC1=CC=C(/N=N/C3=CC=C(NC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "2198": {"pro_comp_id": 1527, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "1527_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCC1=CC=C(/N=N/C3=CC=C(NC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "2199": {"pro_comp_id": 1527, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "1527_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCC1=CC=C(/N=N/C3=CC=C(NC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "2200": {"pro_comp_id": 1528, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "1528_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@@H](CC(=O)NC1=CC=C3/N=N\\C4=CC=C(NC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C=C4CCC3=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "2201": {"pro_comp_id": 1528, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "1528_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@@H](CC(=O)NC1=CC=C3/N=N\\C4=CC=C(NC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C=C4CCC3=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "2202": {"pro_comp_id": 1528, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "1528_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@@H](CC(=O)NC1=CC=C3/N=N\\C4=CC=C(NC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C=C4CCC3=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "2203": {"pro_comp_id": 1529, "tar_path": "FKBP12_P62942.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FKBP12_P62942_50_lig_smina_out.mol2", "protac_path": "1529_protac.mol2", "smiles": "CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCC1=CC=C(OC)C(OC)=C1)C1=CC=CC(OCC(=O)NCCCNC(=O)COC2=C(OC)C=C(/N=N/C3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C2OC)=C1", "label": -1}, "2204": {"pro_comp_id": 1530, "tar_path": "FKBP12_P62942.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FKBP12_P62942_50_lig_smina_out.mol2", "protac_path": "1530_protac.mol2", "smiles": "CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCC1=CC=C(OC)C(OC)=C1)C1=CC=CC(OCC(=O)NCCCCNC(=O)COC2=C(OC)C=C(/N=N/C3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C2OC)=C1", "label": -1}, "2205": {"pro_comp_id": 1531, "tar_path": "FKBP12_P62942.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FKBP12_P62942_50_lig_smina_out.mol2", "protac_path": "1531_protac.mol2", "smiles": "CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCC1=CC=C(OC)C(OC)=C1)C1=CC=CC(OCC(=O)NCCCCCNC(=O)COC2=C(OC)C=C(/N=N/C3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C2OC)=C1", "label": -1}, "2206": {"pro_comp_id": 1532, "tar_path": "FKBP12_P62942.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FKBP12_P62942_50_lig_smina_out.mol2", "protac_path": "1532_protac.mol2", "smiles": "CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCC1=CC=C(OC)C(OC)=C1)C1=CC=CC(OCC(=O)NCCCCCCNC(=O)COC2=C(OC)C=C(/N=N/C3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C2OC)=C1", "label": -1}, "2207": {"pro_comp_id": 1533, "tar_path": "FKBP12_P62942.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FKBP12_P62942_50_lig_smina_out.mol2", "protac_path": "1533_protac.mol2", "smiles": "CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCC1=CC=C(OC)C(OC)=C1)C1=CC=CC(OCC(=O)NCCNC(=O)COC2=CC=C(/N=N/C3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C2)=C1", "label": -1}, "2208": {"pro_comp_id": 1534, "tar_path": "FKBP12_P62942.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FKBP12_P62942_50_lig_smina_out.mol2", "protac_path": "1534_protac.mol2", "smiles": "CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCC1=CC=C(OC)C(OC)=C1)C1=CC=CC(OCC(=O)NC2=CC=C(/N=N/C3=CC=C(NC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)C=C2)=C1", "label": -1}, "2209": {"pro_comp_id": 1535, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "1535_protac.mol2", "smiles": "CC1=C(C2=CC=C3CNC(=O)[C@@H]4C[C@@H](O)CN4C(=O)[C@H](C(C)(C)C)NC(=O)COCCOCCOC[C@H](NC(=O)C[C@@H]4N=C(C5=CC=C(Cl)C=C5)C5=C(SC(C)=C5C)N5C(C)=NN=C45)COCCOCCOC3=C2)SC=N1", "label": 1}, "2210": {"pro_comp_id": 1535, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "1535_protac.mol2", "smiles": "CC1=C(C2=CC=C3CNC(=O)[C@@H]4C[C@@H](O)CN4C(=O)[C@H](C(C)(C)C)NC(=O)COCCOCCOC[C@H](NC(=O)C[C@@H]4N=C(C5=CC=C(Cl)C=C5)C5=C(SC(C)=C5C)N5C(C)=NN=C45)COCCOCCOC3=C2)SC=N1", "label": 0}, "2211": {"pro_comp_id": 1535, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "1535_protac.mol2", "smiles": "CC1=C(C2=CC=C3CNC(=O)[C@@H]4C[C@@H](O)CN4C(=O)[C@H](C(C)(C)C)NC(=O)COCCOCCOC[C@H](NC(=O)C[C@@H]4N=C(C5=CC=C(Cl)C=C5)C5=C(SC(C)=C5C)N5C(C)=NN=C45)COCCOCCOC3=C2)SC=N1", "label": 0}, "2212": {"pro_comp_id": 1536, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "1536_protac.mol2", "smiles": "CC1=C(C2=CC=C3CNC(=O)[C@@H]4C[C@@H](O)CN4C(=O)[C@H](C(C)(C)C)NC(=O)COCCOCCOC[C@H](NC(=O)C[C@@H]4N=C(C5=CC=C(Cl)C=C5)C5=C(SC(C)=C5C)N5C(C)=NN=C45)COCCOC3=C2)SC=N1", "label": -1}, "2213": {"pro_comp_id": 1536, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "1536_protac.mol2", "smiles": "CC1=C(C2=CC=C3CNC(=O)[C@@H]4C[C@@H](O)CN4C(=O)[C@H](C(C)(C)C)NC(=O)COCCOCCOC[C@H](NC(=O)C[C@@H]4N=C(C5=CC=C(Cl)C=C5)C5=C(SC(C)=C5C)N5C(C)=NN=C45)COCCOC3=C2)SC=N1", "label": -1}, "2214": {"pro_comp_id": 1536, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "1536_protac.mol2", "smiles": "CC1=C(C2=CC=C3CNC(=O)[C@@H]4C[C@@H](O)CN4C(=O)[C@H](C(C)(C)C)NC(=O)COCCOCCOC[C@H](NC(=O)C[C@@H]4N=C(C5=CC=C(Cl)C=C5)C5=C(SC(C)=C5C)N5C(C)=NN=C45)COCCOC3=C2)SC=N1", "label": -1}, "2215": {"pro_comp_id": 1537, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_E41K_Q06187_24_lig_smina_out.mol2", "protac_path": "1537_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(CCOCCOCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": 0}, "2216": {"pro_comp_id": 1538, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_P00533_180_lig_smina_out.mol2", "protac_path": "1538_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCN4CCN(C5=CC=C(C6=CC=C7CN(C(C(=O)NC8=NC=CS8)C8=CC(F)=CC=C8O)C(=O)C7=C6)C=C5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "2217": {"pro_comp_id": 1539, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_E41K_Q06187_24_lig_smina_out.mol2", "protac_path": "1539_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(CCOCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": 0}, "2218": {"pro_comp_id": 1540, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_P00533_181_lig_smina_out.mol2", "protac_path": "1540_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCN4CCN(C5=CC=C(C6=CC=C7CN(C(C(=O)NC8=NC=CS8)C8=CC(F)=CC=C8F)C(=O)C7=C6)C=C5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "2219": {"pro_comp_id": 1541, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EGFR_P00533_175_lig_smina_out.mol2", "protac_path": "1541_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOCCOCCOCCNC(=O)CN1CCN(C2=CC=C(C3=CC=C4CN(C(C(=O)NC5=NC=CS5)C5=CC=CC=C5)C(=O)C4=C3)C=C2)CC1", "label": -1}, "2220": {"pro_comp_id": 1542, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EGFR_P00533_175_lig_smina_out.mol2", "protac_path": "1542_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCNC(=O)CN1CCN(C2=CC=C(C3=CC=C4CN(C(C(=O)NC5=NC=CS5)C5=CC=CC=C5)C(=O)C4=C3)C=C2)CC1", "label": -1}, "2221": {"pro_comp_id": 1543, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_P00533_175_lig_smina_out.mol2", "protac_path": "1543_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCN4CCN(C5=CC=C(C6=CC=C7CN(C(C(=O)NC8=NC=CS8)C8=CC=CC=C8)C(=O)C7=C6)C=C5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "2222": {"pro_comp_id": 1544, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_P00533_175_lig_smina_out.mol2", "protac_path": "1544_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCCN4CCN(C5=CC=C(C6=CC=C7CN(C(C(=O)NC8=NC=CS8)C8=CC=CC=C8)C(=O)C7=C6)C=C5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "2223": {"pro_comp_id": 1545, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_P00533_175_lig_smina_out.mol2", "protac_path": "1545_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCC(=O)N4CCN(C5=CC=C(C6=CC=C7CN(C(C(=O)NC8=NC=CS8)C8=CC=CC=C8)C(=O)C7=C6)C=C5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "2224": {"pro_comp_id": 1546, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_P00533_175_lig_smina_out.mol2", "protac_path": "1546_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCC(=O)N4CCN(C5=CC=C(C6=CC=C7CN(C(C(=O)NC8=NC=CS8)C8=CC=CC=C8)C(=O)C7=C6)C=C5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "2225": {"pro_comp_id": 1547, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_P00533_175_lig_smina_out.mol2", "protac_path": "1547_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOCCC(=O)N4CCN(C5=CC=C(C6=CC=C7CN(C(C(=O)NC8=NC=CS8)C8=CC=CC=C8)C(=O)C7=C6)C=C5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "2226": {"pro_comp_id": 1548, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_P00533_175_lig_smina_out.mol2", "protac_path": "1548_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOCCOCCC(=O)N4CCN(C5=CC=C(C6=CC=C7CN(C(C(=O)NC8=NC=CS8)C8=CC=CC=C8)C(=O)C7=C6)C=C5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "2227": {"pro_comp_id": 1549, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_P00533_175_lig_smina_out.mol2", "protac_path": "1549_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCN4CCN(C5=CC=C(C6=CC=C7CN(C(C(=O)NC8=NC=CS8)C8=CC=CC=C8)C(=O)C7=C6)C=C5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "2228": {"pro_comp_id": 1550, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_P00533_176_lig_smina_out.mol2", "protac_path": "1550_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCN4CCN(C5=CC=C(C6=CC=C7CN(C(C(=O)NC8=NC=CS8)C8=CC=CC=C8O)C(=O)C7=C6)C=N5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "2229": {"pro_comp_id": 1551, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "EGFR_P00533_176_lig_smina_out.mol2", "protac_path": "1551_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(NCCOCCOCCN4CCN(C5=CC=C(C6=CC=C7CN(C(C(=O)NC8=NC=CS8)C8=CC=CC=C8)C(=O)C7=C6)C=N5)CC4)C=C3C2=O)C(=O)N1", "label": -1}, "2230": {"pro_comp_id": 1552, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "EGFR_P00533_176_lig_smina_out.mol2", "protac_path": "1552_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(NCCOCCOCCOCCN4CCN(C5=CC=C(C6=CC=C7CN(C(C(=O)NC8=NC=CS8)C8=CC=CC=C8)C(=O)C7=C6)C=N5)CC4)C=C3C2=O)C(=O)N1", "label": -1}, "2231": {"pro_comp_id": 1553, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EGFR_P00533_176_lig_smina_out.mol2", "protac_path": "1553_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(OCCOCCOCCOCCN4CCN(C5=CC=C(C6=CC=C7CN(C(C(=O)NC8=NC=CS8)C8=CC=CC=C8)C(=O)C7=C6)C=N5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "2232": {"pro_comp_id": 1554, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_176_lig_smina_out.mol2", "protac_path": "1554_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCN3CCN(C4=CC=C(C5=CC=C6CN(C(C(=O)NC7=NC=CS7)C7=CC=CC=C7)C(=O)C6=C5)C=N4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2233": {"pro_comp_id": 1555, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_176_lig_smina_out.mol2", "protac_path": "1555_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCN3CCN(C4=CC=C(C5=CC=C6CN(C(C(=O)NC7=NC=CS7)C7=CC=CC=C7)C(=O)C6=C5)C=N4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2234": {"pro_comp_id": 1556, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_184_lig_smina_out.mol2", "protac_path": "1556_protac.mol2", "smiles": "CC(O)(COC1=CC=C(OCCOCCOCCOCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)C(=O)NC1=CC=C(C#N)C(C(F)(F)F)=C1", "label": -1}, "2235": {"pro_comp_id": 1557, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_64_lig_smina_out.mol2", "war_path": "AR_P10275_184_lig_smina_out.mol2", "protac_path": "1557_protac.mol2", "smiles": "CC(O)(COC1=CC=C(OCCOCCOCCOCCOC2=CC=CC3=C2CN([C@H]2CCC(=O)NC2=O)C3=O)C=C1)C(=O)NC1=CC=C(C#N)C(C(F)(F)F)=C1", "label": -1}, "2236": {"pro_comp_id": 1558, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_182_lig_smina_out.mol2", "protac_path": "1558_protac.mol2", "smiles": "CN1C(=O)N(C2=CC=C(C#N)C(C(F)(F)F)=C2)C(=O)C1(C)C1=CC=C(OCCOCCOCCOCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "2237": {"pro_comp_id": 1559, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_64_lig_smina_out.mol2", "war_path": "AR_P10275_182_lig_smina_out.mol2", "protac_path": "1559_protac.mol2", "smiles": "CN1C(=O)N(C2=CC=C(C#N)C(C(F)(F)F)=C2)C(=O)C1(C)C1=CC=C(OCCOCCOCCOCCOC2=CC=CC3=C2CN([C@H]2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "2238": {"pro_comp_id": 1560, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "1560_protac.mol2", "smiles": "CC1(C)C(=O)N(C2=CC=C(C#N)C(C(F)(F)F)=C2)C(=S)N1C1=CC=C(OCCOCCOCCOCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": 0}, "2239": {"pro_comp_id": 1561, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_64_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "1561_protac.mol2", "smiles": "CC1(C)C(=O)N(C2=CC=C(C#N)C(C(F)(F)F)=C2)C(=S)N1C1=CC=C(OCCOCCOCCOCCOC2=CC=CC3=C2CN([C@H]2CCC(=O)NC2=O)C3=O)C=C1", "label": 0}, "2240": {"pro_comp_id": 1562, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "1562_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCCCOC3=CC=C(N4C(=S)N(C5=CC=C(C#N)C(C(F)(F)F)=C5)C(=O)C4(C)C)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2241": {"pro_comp_id": 1563, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "1563_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCC(F)(F)C(F)(F)C(F)(F)COCCCOC3=CC=C(N4C(=S)N(C5=CC=C(C#N)C(C(F)(F)F)=C5)C(=O)C4(C)C)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2242": {"pro_comp_id": 1564, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "1564_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOC3=CC=C(N4C(=S)N(C5=CC=C(C#N)C(C(F)(F)F)=C5)C(=O)C4(C)C)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2243": {"pro_comp_id": 1565, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "1565_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOC3=CC=C(C4=CC=C(N5C(=S)N(C6=CC=C(C#N)C(C(F)(F)F)=C6)C(=O)C5(C)C)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2244": {"pro_comp_id": 1566, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "1566_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCC(F)(F)COC3=CC=C(C4=CC=C(N5C(=S)N(C6=CC=C(C#N)C(C(F)(F)F)=C6)C(=O)C5(C)C)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2245": {"pro_comp_id": 1567, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "1567_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCC(F)(F)C(F)(F)COC3=CC=C(N4C(=S)N(C5=CC=C(C#N)C(C(F)(F)F)=C5)C(=O)C4(C)C)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2246": {"pro_comp_id": 1568, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_183_lig_smina_out.mol2", "protac_path": "1568_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOC3=CC=C(C(=O)N[C@H]4C(C)(C)[C@H](OC5=CC=C(C#N)C(C(F)(F)F)=C5)C4(C)C)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2247": {"pro_comp_id": 1569, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_183_lig_smina_out.mol2", "protac_path": "1569_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCCOC3=CC=C(C(=O)N[C@H]4C(C)(C)[C@H](OC5=CC=C(C#N)C(C(F)(F)F)=C5)C4(C)C)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2248": {"pro_comp_id": 1570, "tar_path": "Alpha-syn_P37840.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "Alpha-syn_P37840_185_lig_smina_out.mol2", "protac_path": "1570_protac.mol2", "smiles": "CNC1=CC=C(C2=NC3=CC=C(OCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3S2)C=C1", "label": -1}, "2249": {"pro_comp_id": 1571, "tar_path": "Alpha-syn_P37840.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "Alpha-syn_P37840_185_lig_smina_out.mol2", "protac_path": "1571_protac.mol2", "smiles": "CNC1=CC=C(C2=NC3=CC=C(OCCOCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3S2)C=C1", "label": -1}, "2250": {"pro_comp_id": 1572, "tar_path": "Alpha-syn_P37840.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "Alpha-syn_P37840_185_lig_smina_out.mol2", "protac_path": "1572_protac.mol2", "smiles": "CNC1=CC=C(C2=NC3=CC=C(OCCOCCOCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3S2)C=C1", "label": -1}, "2251": {"pro_comp_id": 1573, "tar_path": "Alpha-syn_P37840.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "Alpha-syn_P37840_186_lig_smina_out.mol2", "protac_path": "1573_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOC3=CC=C(CN4C(=O)/C(=C/C=C/C5=CC=C([N+](=O)[O-])C=C5)C5=CC=CC=C54)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2252": {"pro_comp_id": 1574, "tar_path": "Alpha-syn_P37840.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "Alpha-syn_P37840_187_lig_smina_out.mol2", "protac_path": "1574_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(N4CCN(CCCO[C@H]5C[C@H](OC6=CC=C7NC8=CC=C([N+](=O)[O-])C=C8SC7=C6)C5)CC4)C=C3C2=O)C(=O)N1", "label": -1}, "2253": {"pro_comp_id": 1575, "tar_path": "Alpha-syn_P37840.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "Alpha-syn_P37840_187_lig_smina_out.mol2", "protac_path": "1575_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CN3CCN(CCN4CCC(O[C@H]5C[C@H](OC6=CC=C7NC8=CC=C([N+](=O)[O-])C=C8SC7=C6)C5)CC4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2254": {"pro_comp_id": 1576, "tar_path": "TRKA_P04629.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TRKA_P04629_188_lig_smina_out.mol2", "protac_path": "1576_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCC(=O)N4CCN(C5=CC=C(C(=O)NC6=N[NH]C7=CC=C(CC8=CC(F)=CC(F)=C8)C=C67)C(NC6CCOCC6)=C5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "2255": {"pro_comp_id": 1576, "tar_path": "TRKB_Q16620.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TRKB_Q16620_188_lig_smina_out.mol2", "protac_path": "1576_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCC(=O)N4CCN(C5=CC=C(C(=O)NC6=N[NH]C7=CC=C(CC8=CC(F)=CC(F)=C8)C=C67)C(NC6CCOCC6)=C5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "2256": {"pro_comp_id": 1576, "tar_path": "TRKC_Q16288.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TRKC_Q16288_188_lig_smina_out.mol2", "protac_path": "1576_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCC(=O)N4CCN(C5=CC=C(C(=O)NC6=N[NH]C7=CC=C(CC8=CC(F)=CC(F)=C8)C=C67)C(NC6CCOCC6)=C5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "2257": {"pro_comp_id": 1577, "tar_path": "TRKA_P04629.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "TRKA_P04629_188_lig_smina_out.mol2", "protac_path": "1577_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(NCCOCCOCCOCCOCCC(=O)N4CCN(C5=CC=C(C(=O)NC6=N[NH]C7=CC=C(CC8=CC(F)=CC(F)=C8)C=C67)C(NC6CCOCC6)=C5)CC4)C=C3C2=O)C(=O)N1", "label": -1}, "2258": {"pro_comp_id": 1577, "tar_path": "TRKB_Q16620.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "TRKB_Q16620_188_lig_smina_out.mol2", "protac_path": "1577_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(NCCOCCOCCOCCOCCC(=O)N4CCN(C5=CC=C(C(=O)NC6=N[NH]C7=CC=C(CC8=CC(F)=CC(F)=C8)C=C67)C(NC6CCOCC6)=C5)CC4)C=C3C2=O)C(=O)N1", "label": -1}, "2259": {"pro_comp_id": 1577, "tar_path": "TRKC_Q16288.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "TRKC_Q16288_188_lig_smina_out.mol2", "protac_path": "1577_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(NCCOCCOCCOCCOCCC(=O)N4CCN(C5=CC=C(C(=O)NC6=N[NH]C7=CC=C(CC8=CC(F)=CC(F)=C8)C=C67)C(NC6CCOCC6)=C5)CC4)C=C3C2=O)C(=O)N1", "label": -1}, "2260": {"pro_comp_id": 1578, "tar_path": "TRKA_P04629.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "TRKA_P04629_189_lig_smina_out.mol2", "protac_path": "1578_protac.mol2", "smiles": "O=C(CN1CCN(C2=CC=CC(C3=CN=C4C=CC(N5CCC[C@@H]5C5=CC=CC(F)=C5)=NN34)=N2)CC1)NCCNC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1", "label": -1}, "2261": {"pro_comp_id": 1578, "tar_path": "TRKB_Q16620.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "TRKB_Q16620_189_lig_smina_out.mol2", "protac_path": "1578_protac.mol2", "smiles": "O=C(CN1CCN(C2=CC=CC(C3=CN=C4C=CC(N5CCC[C@@H]5C5=CC=CC(F)=C5)=NN34)=N2)CC1)NCCNC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1", "label": -1}, "2262": {"pro_comp_id": 1578, "tar_path": "TRKC_Q16288.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "TRKC_Q16288_189_lig_smina_out.mol2", "protac_path": "1578_protac.mol2", "smiles": "O=C(CN1CCN(C2=CC=CC(C3=CN=C4C=CC(N5CCC[C@@H]5C5=CC=CC(F)=C5)=NN34)=N2)CC1)NCCNC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1", "label": -1}, "2263": {"pro_comp_id": 1579, "tar_path": "TRKA_P04629.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "TRKA_P04629_189_lig_smina_out.mol2", "protac_path": "1579_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(NCCN4CCN(C5=CC=CC(C6=CN=C7C=CC(N8CCC[C@@H]8C8=CC=CC(F)=C8)=NN67)=N5)CC4)C=C3C2=O)C(=O)N1", "label": -1}, "2264": {"pro_comp_id": 1579, "tar_path": "TRKB_Q16620.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "TRKB_Q16620_189_lig_smina_out.mol2", "protac_path": "1579_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(NCCN4CCN(C5=CC=CC(C6=CN=C7C=CC(N8CCC[C@@H]8C8=CC=CC(F)=C8)=NN67)=N5)CC4)C=C3C2=O)C(=O)N1", "label": -1}, "2265": {"pro_comp_id": 1579, "tar_path": "TRKC_Q16288.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "TRKC_Q16288_189_lig_smina_out.mol2", "protac_path": "1579_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(NCCN4CCN(C5=CC=CC(C6=CN=C7C=CC(N8CCC[C@@H]8C8=CC=CC(F)=C8)=NN67)=N5)CC4)C=C3C2=O)C(=O)N1", "label": -1}, "2266": {"pro_comp_id": 1580, "tar_path": "TRKA_P04629.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TRKA_P04629_189_lig_smina_out.mol2", "protac_path": "1580_protac.mol2", "smiles": "O=C(CN1CCN(C2=CC=CC(C3=CN=C4C=CC(N5CCC[C@@H]5C5=CC=CC(F)=C5)=NN34)=N2)CC1)NCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "2267": {"pro_comp_id": 1580, "tar_path": "TRKB_Q16620.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TRKB_Q16620_189_lig_smina_out.mol2", "protac_path": "1580_protac.mol2", "smiles": "O=C(CN1CCN(C2=CC=CC(C3=CN=C4C=CC(N5CCC[C@@H]5C5=CC=CC(F)=C5)=NN34)=N2)CC1)NCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "2268": {"pro_comp_id": 1580, "tar_path": "TRKC_Q16288.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TRKC_Q16288_189_lig_smina_out.mol2", "protac_path": "1580_protac.mol2", "smiles": "O=C(CN1CCN(C2=CC=CC(C3=CN=C4C=CC(N5CCC[C@@H]5C5=CC=CC(F)=C5)=NN34)=N2)CC1)NCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "2269": {"pro_comp_id": 1581, "tar_path": "TRKA_P04629.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "TRKA_P04629_189_lig_smina_out.mol2", "protac_path": "1581_protac.mol2", "smiles": "O=C(CN1CCN(C2=CC=CC(C3=CN=C4C=CC(N5CCC[C@@H]5C5=CC=CC(F)=C5)=NN34)=N2)CC1)NCCOCCNC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1", "label": -1}, "2270": {"pro_comp_id": 1581, "tar_path": "TRKB_Q16620.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "TRKB_Q16620_189_lig_smina_out.mol2", "protac_path": "1581_protac.mol2", "smiles": "O=C(CN1CCN(C2=CC=CC(C3=CN=C4C=CC(N5CCC[C@@H]5C5=CC=CC(F)=C5)=NN34)=N2)CC1)NCCOCCNC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1", "label": -1}, "2271": {"pro_comp_id": 1581, "tar_path": "TRKC_Q16288.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "TRKC_Q16288_189_lig_smina_out.mol2", "protac_path": "1581_protac.mol2", "smiles": "O=C(CN1CCN(C2=CC=CC(C3=CN=C4C=CC(N5CCC[C@@H]5C5=CC=CC(F)=C5)=NN34)=N2)CC1)NCCOCCNC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1", "label": -1}, "2272": {"pro_comp_id": 1582, "tar_path": "TRKA_P04629.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "TRKA_P04629_189_lig_smina_out.mol2", "protac_path": "1582_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(NCCCCC(=O)N4CCN(C5=CC=CC(C6=CN=C7C=CC(N8CCC[C@@H]8C8=CC=CC(F)=C8)=NN67)=N5)CC4)C=C3C2=O)C(=O)N1", "label": -1}, "2273": {"pro_comp_id": 1582, "tar_path": "TRKB_Q16620.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "TRKB_Q16620_189_lig_smina_out.mol2", "protac_path": "1582_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(NCCCCC(=O)N4CCN(C5=CC=CC(C6=CN=C7C=CC(N8CCC[C@@H]8C8=CC=CC(F)=C8)=NN67)=N5)CC4)C=C3C2=O)C(=O)N1", "label": -1}, "2274": {"pro_comp_id": 1582, "tar_path": "TRKC_Q16288.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "TRKC_Q16288_189_lig_smina_out.mol2", "protac_path": "1582_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(NCCCCC(=O)N4CCN(C5=CC=CC(C6=CN=C7C=CC(N8CCC[C@@H]8C8=CC=CC(F)=C8)=NN67)=N5)CC4)C=C3C2=O)C(=O)N1", "label": -1}, "2275": {"pro_comp_id": 1583, "tar_path": "TRKA_P04629.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "TRKA_P04629_189_lig_smina_out.mol2", "protac_path": "1583_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(N4CC(C(=O)N5CCN(C6=CC=CC(C7=CN=C8C=CC(N9CCC[C@@H]9C9=CC=CC(F)=C9)=NN78)=N6)CC5)C4)C=C3C2=O)C(=O)N1", "label": -1}, "2276": {"pro_comp_id": 1583, "tar_path": "TRKB_Q16620.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "TRKB_Q16620_189_lig_smina_out.mol2", "protac_path": "1583_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(N4CC(C(=O)N5CCN(C6=CC=CC(C7=CN=C8C=CC(N9CCC[C@@H]9C9=CC=CC(F)=C9)=NN78)=N6)CC5)C4)C=C3C2=O)C(=O)N1", "label": -1}, "2277": {"pro_comp_id": 1583, "tar_path": "TRKC_Q16288.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "TRKC_Q16288_189_lig_smina_out.mol2", "protac_path": "1583_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(N4CC(C(=O)N5CCN(C6=CC=CC(C7=CN=C8C=CC(N9CCC[C@@H]9C9=CC=CC(F)=C9)=NN78)=N6)CC5)C4)C=C3C2=O)C(=O)N1", "label": -1}, "2278": {"pro_comp_id": 1584, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_191_lig_smina_out.mol2", "protac_path": "1584_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCCCCOC3=CC=C(N4C(=S)N(C5=CN=C(C#N)C(C(F)(F)F)=C5)C(=O)C4(C)C)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "2279": {"pro_comp_id": 1585, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "1585_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCCCCOC3=CC=C(N4C(=S)N(C5=CC=C(C#N)C(C(F)(F)F)=C5)C(=O)C4(C)C)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": 0}, "2280": {"pro_comp_id": 1586, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AR_P10275_190_lig_smina_out.mol2", "protac_path": "1586_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCCCCOC3=C(F)C=C(N4C(=S)N(C5=CC=C(C#N)C(C(F)(F)F)=C5)C(=O)C4(C)C)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": 0}, "2281": {"pro_comp_id": 1587, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "1587_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCCCOC3=CC=C(N4C(=S)N(C5=CC=C(C#N)C(C(F)(F)F)=C5)C(=O)C4(C)C)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": 0}, "2282": {"pro_comp_id": 1588, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_191_lig_smina_out.mol2", "protac_path": "1588_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCCCOC3=CC=C(N4C(=S)N(C5=CN=C(C#N)C(C(F)(F)F)=C5)C(=O)C4(C)C)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "2283": {"pro_comp_id": 1589, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_192_lig_smina_out.mol2", "protac_path": "1589_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCCCOC3=CC=C(N4C(=S)N(C5=CC=C(C#N)C(Cl)=C5)C(=O)C4(C)C)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "2284": {"pro_comp_id": 1590, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "1590_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCCCOC3=CC=C(C4=CC=C(N5C(=S)N(C6=CC=C(C#N)C(C(F)(F)F)=C6)C(=O)C5(C)C)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "2285": {"pro_comp_id": 1591, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "RNF114_Q9Y508.pdb", "e3_lig_path": "RNF114_Q9Y508_65_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "1591_protac.mol2", "smiles": "COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@H](C4=C(C5=CC=C(C(=O)NCCOCCOCCOCCNC(=O)C[C@@H]6N=C(C7=CC=C(Cl)C=C7)C7=C(SC(C)=C7C)N7C(C)=NN=C67)C=C5)OC=C4)C[C@H]3O[C@@H]2[C@@H]2OC(=O)[C@]3(C)C=CC(=O)[C@@]1(C)[C@@H]23", "label": -1}, "2286": {"pro_comp_id": 1592, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "RNF114_Q9Y508.pdb", "e3_lig_path": "RNF114_Q9Y508_65_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "1592_protac.mol2", "smiles": "COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@H](C4=C(C5=CC=C(C(=O)NCCCNC(=O)C[C@@H]6N=C(C7=CC=C(Cl)C=C7)C7=C(SC(C)=C7C)N7C(C)=NN=C67)C=C5)OC=C4)C[C@H]3O[C@@H]2[C@@H]2OC(=O)[C@]3(C)C=CC(=O)[C@@]1(C)[C@@H]23", "label": -1}, "2287": {"pro_comp_id": 1593, "tar_path": "PDEdelta_O43924.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PDEdelta_O43924_194_lig_smina_out.mol2", "protac_path": "1593_protac.mol2", "smiles": "CC1=CC=C(N2N=C3C(=O)N(CCCC(=O)NCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=C(C)C3=C2C)C=C1", "label": 0}, "2288": {"pro_comp_id": 1594, "tar_path": "PDEdelta_O43924.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PDEdelta_O43924_194_lig_smina_out.mol2", "protac_path": "1594_protac.mol2", "smiles": "CC1=CC=C(N2N=C3C(=O)N(CCCC(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=C(C)C3=C2C)C=C1", "label": 0}, "2289": {"pro_comp_id": 1595, "tar_path": "PDEdelta_O43924.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PDEdelta_O43924_194_lig_smina_out.mol2", "protac_path": "1595_protac.mol2", "smiles": "CC1=CC=C(N2N=C3C(=O)N(CCCC(=O)NCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=C(C)C3=C2C)C=C1", "label": 0}, "2290": {"pro_comp_id": 1596, "tar_path": "PDEdelta_O43924.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PDEdelta_O43924_194_lig_smina_out.mol2", "protac_path": "1596_protac.mol2", "smiles": "CC1=CC=C(N2N=C3C(=O)N(CCCC(=O)NCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=C(C)C3=C2C)C=C1", "label": 0}, "2291": {"pro_comp_id": 1597, "tar_path": "PDEdelta_O43924.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PDEdelta_O43924_194_lig_smina_out.mol2", "protac_path": "1597_protac.mol2", "smiles": "CC1=CC=C(N2N=C3C(=O)N(CCCC(=O)NCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=C(C)C3=C2C)C=C1", "label": 0}, "2292": {"pro_comp_id": 1598, "tar_path": "PDEdelta_O43924.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PDEdelta_O43924_194_lig_smina_out.mol2", "protac_path": "1598_protac.mol2", "smiles": "CC1=CC=C(N2N=C3C(=O)N(CCCC(=O)NCCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=C(C)C3=C2C)C=C1", "label": 0}, "2293": {"pro_comp_id": 1599, "tar_path": "PDEdelta_O43924.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PDEdelta_O43924_194_lig_smina_out.mol2", "protac_path": "1599_protac.mol2", "smiles": "CC1=CC=C(N2N=C3C(=O)N(CCCC(=O)NCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=C(C)C3=C2C)C=C1", "label": 0}, "2294": {"pro_comp_id": 1600, "tar_path": "PDEdelta_O43924.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PDEdelta_O43924_194_lig_smina_out.mol2", "protac_path": "1600_protac.mol2", "smiles": "CC1=CC=C(N2N=C3C(=O)N(CCCC(=O)NCCCOCCOCCOCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=C(C)C3=C2C)C=C1", "label": 0}, "2295": {"pro_comp_id": 1601, "tar_path": "PDEdelta_O43924.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "PDEdelta_O43924_194_lig_smina_out.mol2", "protac_path": "1601_protac.mol2", "smiles": "CC1=CC=C(N2N=C3C(=O)N(CCCC(=O)NCCCCCCCCNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)N=C(C)C3=C2C)C=C1", "label": 0}, "2324": {"pro_comp_id": 1625, "tar_path": "p38alpha_Q16539.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "p38alpha_Q16539_198_lig_smina_out.mol2", "protac_path": "1625_protac.mol2", "smiles": "CC1=CC=C(C(=O)NCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1N1C(C)=CC(OCC2=CC=C(F)C=C2F)=C(Br)C1=O", "label": -1}, "2325": {"pro_comp_id": 1626, "tar_path": "p38alpha_Q16539.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "p38alpha_Q16539_198_lig_smina_out.mol2", "protac_path": "1626_protac.mol2", "smiles": "CC1=CC=C(C(=O)NCCCCNC(=O)C2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)C=C1N1C(C)=CC(OCC2=CC=C(F)C=C2F)=C(Br)C1=O", "label": -1}, "2326": {"pro_comp_id": 1627, "tar_path": "p38alpha_Q16539.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "p38alpha_Q16539_198_lig_smina_out.mol2", "protac_path": "1627_protac.mol2", "smiles": "CC1=CC=C(C(=O)NCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1N1C(C)=CC(OCC2=CC=C(F)C=C2F)=C(Br)C1=O", "label": -1}, "2327": {"pro_comp_id": 1628, "tar_path": "p38alpha_Q16539.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "p38alpha_Q16539_198_lig_smina_out.mol2", "protac_path": "1628_protac.mol2", "smiles": "CC1=CC=C(C(=O)NCCOCCOCCNC(=O)C2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)C=C1N1C(C)=CC(OCC2=CC=C(F)C=C2F)=C(Br)C1=O", "label": -1}, "2328": {"pro_comp_id": 1629, "tar_path": "p38alpha_Q16539.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "p38alpha_Q16539_198_lig_smina_out.mol2", "protac_path": "1629_protac.mol2", "smiles": "CC1=CC=C(C(=O)NCCOCCOCCOCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1N1C(C)=CC(OCC2=CC=C(F)C=C2F)=C(Br)C1=O", "label": -1}, "2329": {"pro_comp_id": 1630, "tar_path": "p38alpha_Q16539.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "p38alpha_Q16539_198_lig_smina_out.mol2", "protac_path": "1630_protac.mol2", "smiles": "CC1=CC=C(C(=O)NCCCCC2=CN(CCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1N1C(C)=CC(OCC2=CC=C(F)C=C2F)=C(Br)C1=O", "label": -1}, "2330": {"pro_comp_id": 1631, "tar_path": "p38alpha_Q16539.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "p38alpha_Q16539_198_lig_smina_out.mol2", "protac_path": "1631_protac.mol2", "smiles": "CC1=CC=C(C(=O)NCCCCC2=CN(CCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1N1C(C)=CC(OCC2=CC=C(F)C=C2F)=C(Br)C1=O", "label": -1}, "2331": {"pro_comp_id": 1632, "tar_path": "p38alpha_Q16539.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "p38alpha_Q16539_198_lig_smina_out.mol2", "protac_path": "1632_protac.mol2", "smiles": "CC1=CC=C(C(=O)NCCCCC2=CN(CCCC(=O)NCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1N1C(C)=CC(OCC2=CC=C(F)C=C2F)=C(Br)C1=O", "label": -1}, "2332": {"pro_comp_id": 1633, "tar_path": "p38alpha_Q16539.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "p38alpha_Q16539_198_lig_smina_out.mol2", "protac_path": "1633_protac.mol2", "smiles": "CC1=CC=C(C(=O)NCCCCC2=CN(CCCC(=O)NCCOCCOCCNC(=O)C3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)N=N2)C=C1N1C(C)=CC(OCC2=CC=C(F)C=C2F)=C(Br)C1=O", "label": -1}, "2333": {"pro_comp_id": 1634, "tar_path": "p38alpha_Q16539.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "p38alpha_Q16539_198_lig_smina_out.mol2", "protac_path": "1634_protac.mol2", "smiles": "CC1=CC=C(C(=O)NCCCCC2=CN(CCCC(=O)NCCCCCCC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1N1C(C)=CC(OCC2=CC=C(F)C=C2F)=C(Br)C1=O", "label": -1}, "2334": {"pro_comp_id": 1635, "tar_path": "p38alpha_Q16539.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "p38alpha_Q16539_198_lig_smina_out.mol2", "protac_path": "1635_protac.mol2", "smiles": "CC1=CC=C(C(=O)NCCCCC2=CN(CCCC(=O)NCCCCCC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1N1C(C)=CC(OCC2=CC=C(F)C=C2F)=C(Br)C1=O", "label": -1}, "2335": {"pro_comp_id": 1636, "tar_path": "p38beta_Q15759.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "p38beta_Q15759_198_lig_smina_out.mol2", "protac_path": "1636_protac.mol2", "smiles": "CC1=CC=C(C(=O)NCCCCC2=CN(CCCC(=O)NCCCCCCC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1N1C(C)=CC(OCC2=CC=C(F)C=C2F)=C(Br)C1=O", "label": 1}, "2336": {"pro_comp_id": 1636, "tar_path": "p38alpha_Q16539.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "p38alpha_Q16539_198_lig_smina_out.mol2", "protac_path": "1636_protac.mol2", "smiles": "CC1=CC=C(C(=O)NCCCCC2=CN(CCCC(=O)NCCCCCCC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1N1C(C)=CC(OCC2=CC=C(F)C=C2F)=C(Br)C1=O", "label": 1}, "2337": {"pro_comp_id": 1637, "tar_path": "p38alpha_Q16539.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "p38alpha_Q16539_198_lig_smina_out.mol2", "protac_path": "1637_protac.mol2", "smiles": "CC1=CC=C(C(=O)NCCCCC2=CN(CCCC(=O)NCCCCCC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1N1C(C)=CC(OCC2=CC=C(F)C=C2F)=C(Br)C1=O", "label": -1}, "2338": {"pro_comp_id": 1638, "tar_path": "p38alpha_Q16539.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "p38alpha_Q16539_198_lig_smina_out.mol2", "protac_path": "1638_protac.mol2", "smiles": "CC1=CC=C(C(=O)NCCC2=CN(CCCC(=O)NCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1N1C(C)=CC(OCC2=CC=C(F)C=C2F)=C(Br)C1=O", "label": -1}, "2339": {"pro_comp_id": 1639, "tar_path": "p38alpha_Q16539.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "p38alpha_Q16539_198_lig_smina_out.mol2", "protac_path": "1639_protac.mol2", "smiles": "CC1=CC=C(C(=O)NCCC2=CN(CCCC(=O)NCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1N1C(C)=CC(OCC2=CC=C(F)C=C2F)=C(Br)C1=O", "label": -1}, "2340": {"pro_comp_id": 1640, "tar_path": "p38alpha_Q16539.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "p38alpha_Q16539_198_lig_smina_out.mol2", "protac_path": "1640_protac.mol2", "smiles": "CC1=CC=C(C(=O)NCCCC2=CN(CCCC(=O)NCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1N1C(C)=CC(OCC2=CC=C(F)C=C2F)=C(Br)C1=O", "label": -1}, "2341": {"pro_comp_id": 1641, "tar_path": "p38alpha_Q16539.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "p38alpha_Q16539_198_lig_smina_out.mol2", "protac_path": "1641_protac.mol2", "smiles": "CC1=CC=C(C(=O)NCCC2=CN(CCCC(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1N1C(C)=CC(OCC2=CC=C(F)C=C2F)=C(Br)C1=O", "label": -1}, "2342": {"pro_comp_id": 1642, "tar_path": "p38alpha_Q16539.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "p38alpha_Q16539_198_lig_smina_out.mol2", "protac_path": "1642_protac.mol2", "smiles": "CC1=CC=C(C(=O)NCCCCC2=CN(CCCC(=O)NCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1N1C(C)=CC(OCC2=CC=C(F)C=C2F)=C(Br)C1=O", "label": -1}, "2343": {"pro_comp_id": 1643, "tar_path": "p38alpha_Q16539.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "p38alpha_Q16539_198_lig_smina_out.mol2", "protac_path": "1643_protac.mol2", "smiles": "CC1=CC=C(C(=O)NCCCC2=CN(CCCC(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1N1C(C)=CC(OCC2=CC=C(F)C=C2F)=C(Br)C1=O", "label": -1}, "2344": {"pro_comp_id": 1644, "tar_path": "p38alpha_Q16539.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "p38alpha_Q16539_198_lig_smina_out.mol2", "protac_path": "1644_protac.mol2", "smiles": "CC1=CC=C(C(=O)NCCCCC2=CN(CCCC(=O)NCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1N1C(C)=CC(OCC2=CC=C(F)C=C2F)=C(Br)C1=O", "label": -1}, "2345": {"pro_comp_id": 1645, "tar_path": "p38beta_Q15759.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "p38beta_Q15759_198_lig_smina_out.mol2", "protac_path": "1645_protac.mol2", "smiles": "CC1=CC=C(C(=O)NCCCCC2=CN(CCCC(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1N1C(C)=CC(OCC2=CC=C(F)C=C2F)=C(Br)C1=O", "label": 1}, "2346": {"pro_comp_id": 1645, "tar_path": "p38alpha_Q16539.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "p38alpha_Q16539_198_lig_smina_out.mol2", "protac_path": "1645_protac.mol2", "smiles": "CC1=CC=C(C(=O)NCCCCC2=CN(CCCC(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1N1C(C)=CC(OCC2=CC=C(F)C=C2F)=C(Br)C1=O", "label": 1}, "2347": {"pro_comp_id": 1646, "tar_path": "p38alpha_Q16539.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "p38alpha_Q16539_198_lig_smina_out.mol2", "protac_path": "1646_protac.mol2", "smiles": "CC1=CC=C(C(=O)NCCCCC2=CN(CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1N1C(C)=CC(OCC2=CC=C(F)C=C2F)=C(Br)C1=O", "label": -1}, "2348": {"pro_comp_id": 1647, "tar_path": "p38alpha_Q16539.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "p38alpha_Q16539_198_lig_smina_out.mol2", "protac_path": "1647_protac.mol2", "smiles": "CC1=CC=C(C(=O)NCCCCC2=CN(CC[C@H]([NH3+])C(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1N1C(C)=CC(OCC2=CC=C(F)C=C2F)=C(Br)C1=O.[Cl-]", "label": -1}, "2350": {"pro_comp_id": 1649, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_199_lig_smina_out.mol2", "protac_path": "1649_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCOCC#CC3=CC=C(OCCCC4=C(C(=O)O)N=C(N5CCC6=CC=CC(C(=O)NC7=NC8=CC=CC=C8S7)=C6C5)S4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "2351": {"pro_comp_id": 1650, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_28_lig_smina_out.mol2", "protac_path": "1650_protac.mol2", "smiles": "NC(=O)C1=C(N)N([C@@H]2CCCN(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)N=C1C1=CC=C(OC2=CC=C(F)C=C2F)C=C1", "label": 1}, "2352": {"pro_comp_id": 1651, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD2_P25440_200_lig_smina_out.mol2", "protac_path": "1651_protac.mol2", "smiles": "CC(=O)N1C2=CC=C(C3=CC=C(C(=O)NCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3)C=C2[C@H](NC2=CC=C(Cl)C=C2)C[C@@H]1C", "label": 0}, "2353": {"pro_comp_id": 1651, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD2_P25440_200_lig_smina_out.mol2", "protac_path": "1651_protac.mol2", "smiles": "CC(=O)N1C2=CC=C(C3=CC=C(C(=O)NCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3)C=C2[C@H](NC2=CC=C(Cl)C=C2)C[C@@H]1C", "label": -1}, "2354": {"pro_comp_id": 1651, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD3_Q15059_200_lig_smina_out.mol2", "protac_path": "1651_protac.mol2", "smiles": "CC(=O)N1C2=CC=C(C3=CC=C(C(=O)NCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3)C=C2[C@H](NC2=CC=C(Cl)C=C2)C[C@@H]1C", "label": -1}, "2355": {"pro_comp_id": 1651, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_200_lig_smina_out.mol2", "protac_path": "1651_protac.mol2", "smiles": "CC(=O)N1C2=CC=C(C3=CC=C(C(=O)NCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3)C=C2[C@H](NC2=CC=C(Cl)C=C2)C[C@@H]1C", "label": -1}, "2356": {"pro_comp_id": 1651, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD3_Q15059_200_lig_smina_out.mol2", "protac_path": "1651_protac.mol2", "smiles": "CC(=O)N1C2=CC=C(C3=CC=C(C(=O)NCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3)C=C2[C@H](NC2=CC=C(Cl)C=C2)C[C@@H]1C", "label": 0}, "2357": {"pro_comp_id": 1651, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_200_lig_smina_out.mol2", "protac_path": "1651_protac.mol2", "smiles": "CC(=O)N1C2=CC=C(C3=CC=C(C(=O)NCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3)C=C2[C@H](NC2=CC=C(Cl)C=C2)C[C@@H]1C", "label": 0}, "2358": {"pro_comp_id": 1652, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD2_P25440_200_lig_smina_out.mol2", "protac_path": "1652_protac.mol2", "smiles": "CC(=O)N1C2=CC=C(C3=CC=C(C(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3)C=C2[C@H](NC2=CC=C(Cl)C=C2)C[C@@H]1C", "label": 0}, "2359": {"pro_comp_id": 1652, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD3_Q15059_200_lig_smina_out.mol2", "protac_path": "1652_protac.mol2", "smiles": "CC(=O)N1C2=CC=C(C3=CC=C(C(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3)C=C2[C@H](NC2=CC=C(Cl)C=C2)C[C@@H]1C", "label": 1}, "2360": {"pro_comp_id": 1652, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_200_lig_smina_out.mol2", "protac_path": "1652_protac.mol2", "smiles": "CC(=O)N1C2=CC=C(C3=CC=C(C(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3)C=C2[C@H](NC2=CC=C(Cl)C=C2)C[C@@H]1C", "label": 1}, "2361": {"pro_comp_id": 1653, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD2_P25440_200_lig_smina_out.mol2", "protac_path": "1653_protac.mol2", "smiles": "CC(=O)N1C2=CC=C(C3=CC=C(C(=O)NCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3)C=C2[C@H](NC2=CC=C(Cl)C=C2)C[C@@H]1C", "label": 0}, "2362": {"pro_comp_id": 1653, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD2_P25440_200_lig_smina_out.mol2", "protac_path": "1653_protac.mol2", "smiles": "CC(=O)N1C2=CC=C(C3=CC=C(C(=O)NCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3)C=C2[C@H](NC2=CC=C(Cl)C=C2)C[C@@H]1C", "label": -1}, "2363": {"pro_comp_id": 1653, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD3_Q15059_200_lig_smina_out.mol2", "protac_path": "1653_protac.mol2", "smiles": "CC(=O)N1C2=CC=C(C3=CC=C(C(=O)NCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3)C=C2[C@H](NC2=CC=C(Cl)C=C2)C[C@@H]1C", "label": -1}, "2364": {"pro_comp_id": 1653, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_200_lig_smina_out.mol2", "protac_path": "1653_protac.mol2", "smiles": "CC(=O)N1C2=CC=C(C3=CC=C(C(=O)NCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3)C=C2[C@H](NC2=CC=C(Cl)C=C2)C[C@@H]1C", "label": -1}, "2365": {"pro_comp_id": 1653, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD3_Q15059_200_lig_smina_out.mol2", "protac_path": "1653_protac.mol2", "smiles": "CC(=O)N1C2=CC=C(C3=CC=C(C(=O)NCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3)C=C2[C@H](NC2=CC=C(Cl)C=C2)C[C@@H]1C", "label": 1}, "2366": {"pro_comp_id": 1653, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_200_lig_smina_out.mol2", "protac_path": "1653_protac.mol2", "smiles": "CC(=O)N1C2=CC=C(C3=CC=C(C(=O)NCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3)C=C2[C@H](NC2=CC=C(Cl)C=C2)C[C@@H]1C", "label": 1}, "2367": {"pro_comp_id": 1654, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "1654_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": 0}, "2368": {"pro_comp_id": 1654, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "1654_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": 0}, "2369": {"pro_comp_id": 1654, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "1654_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": 0}, "2370": {"pro_comp_id": 1655, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_201_lig_smina_out.mol2", "protac_path": "1655_protac.mol2", "smiles": "COC1=CC(C(=O)NCCOCCOCCOCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=CC=C1NC1=NC=C(C(F)(F)F)C(OC2=CC=CC3=C2C(=O)CC3)=N1", "label": 1}, "2371": {"pro_comp_id": 1655, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_201_lig_smina_out.mol2", "protac_path": "1655_protac.mol2", "smiles": "COC1=CC(C(=O)NCCOCCOCCOCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=CC=C1NC1=NC=C(C(F)(F)F)C(OC2=CC=CC3=C2C(=O)CC3)=N1", "label": 1}, "2372": {"pro_comp_id": 1655, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_201_lig_smina_out.mol2", "protac_path": "1655_protac.mol2", "smiles": "COC1=CC(C(=O)NCCOCCOCCOCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=CC=C1NC1=NC=C(C(F)(F)F)C(OC2=CC=CC3=C2C(=O)CC3)=N1", "label": 1}, "2373": {"pro_comp_id": 1655, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_201_lig_smina_out.mol2", "protac_path": "1655_protac.mol2", "smiles": "COC1=CC(C(=O)NCCOCCOCCOCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=CC=C1NC1=NC=C(C(F)(F)F)C(OC2=CC=CC3=C2C(=O)CC3)=N1", "label": 1}, "2374": {"pro_comp_id": 1656, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "FAK_Q05397_201_lig_smina_out.mol2", "protac_path": "1656_protac.mol2", "smiles": "COC1=CC(C(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1NC1=NC=C(C(F)(F)F)C(OC2=CC=CC3=C2C(=O)CC3)=N1", "label": 1}, "2375": {"pro_comp_id": 1656, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "FAK_Q05397_201_lig_smina_out.mol2", "protac_path": "1656_protac.mol2", "smiles": "COC1=CC(C(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1NC1=NC=C(C(F)(F)F)C(OC2=CC=CC3=C2C(=O)CC3)=N1", "label": 1}, "2376": {"pro_comp_id": 1656, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "FAK_Q05397_201_lig_smina_out.mol2", "protac_path": "1656_protac.mol2", "smiles": "COC1=CC(C(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1NC1=NC=C(C(F)(F)F)C(OC2=CC=CC3=C2C(=O)CC3)=N1", "label": 1}, "2377": {"pro_comp_id": 1656, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "FAK_Q05397_201_lig_smina_out.mol2", "protac_path": "1656_protac.mol2", "smiles": "COC1=CC(C(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1NC1=NC=C(C(F)(F)F)C(OC2=CC=CC3=C2C(=O)CC3)=N1", "label": 1}, "2378": {"pro_comp_id": 1657, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_202_lig_smina_out.mol2", "protac_path": "1657_protac.mol2", "smiles": "C=C(F)C(=O)N1CCN(C2=NC(OC[C@@H]3CCCN3CCC(=O)NCCOCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=NC3=C2CCN(C2=CC=CC4=CC=CC(Cl)=C24)C3)C[C@@H]1CC#N", "label": 0}, "2379": {"pro_comp_id": 1658, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_202_lig_smina_out.mol2", "protac_path": "1658_protac.mol2", "smiles": "C=C(F)C(=O)N1CCN(C2=NC(OC[C@@H]3CCCN3CCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=NC3=C2CCN(C2=CC=CC4=CC=CC(Cl)=C24)C3)C[C@@H]1CC#N", "label": 0}, "2380": {"pro_comp_id": 1658, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_202_lig_smina_out.mol2", "protac_path": "1658_protac.mol2", "smiles": "C=C(F)C(=O)N1CCN(C2=NC(OC[C@@H]3CCCN3CCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=NC3=C2CCN(C2=CC=CC4=CC=CC(Cl)=C24)C3)C[C@@H]1CC#N", "label": 0}, "2381": {"pro_comp_id": 1659, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_202_lig_smina_out.mol2", "protac_path": "1659_protac.mol2", "smiles": "C=C(F)C(=O)N1CCN(C2=NC(OC[C@@H]3CCCN3CCC(=O)NCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=NC3=C2CCN(C2=CC=CC4=CC=CC(Cl)=C24)C3)C[C@@H]1CC#N", "label": 0}, "2382": {"pro_comp_id": 1660, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_202_lig_smina_out.mol2", "protac_path": "1660_protac.mol2", "smiles": "C=C(F)C(=O)N1CCN(C2=NC(OC[C@@H]3CCCN3CCCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=NC3=C2CCN(C2=CC=CC4=CC=CC(Cl)=C24)C3)C[C@@H]1CC#N", "label": 0}, "2383": {"pro_comp_id": 1661, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_202_lig_smina_out.mol2", "protac_path": "1661_protac.mol2", "smiles": "C=C(F)C(=O)N1CCN(C2=NC(OC[C@@H]3CCCN3CCOCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=NC3=C2CCN(C2=CC=CC4=CC=CC(Cl)=C24)C3)C[C@@H]1CC#N", "label": 0}, "2384": {"pro_comp_id": 1662, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_202_lig_smina_out.mol2", "protac_path": "1662_protac.mol2", "smiles": "C=C(F)C(=O)N1CCN(C2=NC(OC[C@@H]3CCCN3CCC(=O)NCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=NC3=C2CCN(C2=CC=CC4=CC=CC(Cl)=C24)C3)C[C@@H]1CC#N", "label": 0}, "2385": {"pro_comp_id": 1663, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "1663_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1", "label": -1}, "2386": {"pro_comp_id": 1664, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "1664_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1", "label": -1}, "2387": {"pro_comp_id": 1665, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "1665_protac.mol2", "smiles": "O=C(CCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1", "label": -1}, "2388": {"pro_comp_id": 1666, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "1666_protac.mol2", "smiles": "O=C(CCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1", "label": -1}, "2389": {"pro_comp_id": 1667, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "1667_protac.mol2", "smiles": "O=C(CCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1", "label": -1}, "2390": {"pro_comp_id": 1668, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "1668_protac.mol2", "smiles": "O=C(CCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1", "label": -1}, "2391": {"pro_comp_id": 1669, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "1669_protac.mol2", "smiles": "O=C(CCCNC(=O)CNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1", "label": -1}, "2392": {"pro_comp_id": 1670, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "1670_protac.mol2", "smiles": "O=C(CCCCCNC(=O)CNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1", "label": -1}, "2393": {"pro_comp_id": 1671, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "1671_protac.mol2", "smiles": "O=C(CCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "2394": {"pro_comp_id": 1672, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "1672_protac.mol2", "smiles": "O=C(CCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "2395": {"pro_comp_id": 1673, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "1673_protac.mol2", "smiles": "O=C(CCCCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "2396": {"pro_comp_id": 1674, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "1674_protac.mol2", "smiles": "O=C(CCCCCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "2397": {"pro_comp_id": 1675, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "1675_protac.mol2", "smiles": "O=C(CCCCCCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 1}, "2398": {"pro_comp_id": 1675, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "1675_protac.mol2", "smiles": "O=C(CCCCCCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 1}, "2399": {"pro_comp_id": 1675, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "1675_protac.mol2", "smiles": "O=C(CCCCCCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 1}, "2400": {"pro_comp_id": 1675, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "1675_protac.mol2", "smiles": "O=C(CCCCCCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "2401": {"pro_comp_id": 1676, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "1676_protac.mol2", "smiles": "O=C(CCCCCCCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "2402": {"pro_comp_id": 1677, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "1677_protac.mol2", "smiles": "O=C(CCCCCCCCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "2403": {"pro_comp_id": 1678, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "1678_protac.mol2", "smiles": "O=C(CCCCCCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "2404": {"pro_comp_id": 1679, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "1679_protac.mol2", "smiles": "O=C(CCCCCCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "2405": {"pro_comp_id": 1680, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "1680_protac.mol2", "smiles": "O=C(CCCCCCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "2406": {"pro_comp_id": 1681, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "1681_protac.mol2", "smiles": "O=C(CCCCCCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "2407": {"pro_comp_id": 1682, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "1682_protac.mol2", "smiles": "O=C(CCCCCCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCCOCCOCCOCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "2408": {"pro_comp_id": 1683, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "1683_protac.mol2", "smiles": "O=C(CCCCCCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCNC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1", "label": -1}, "2409": {"pro_comp_id": 1684, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "1684_protac.mol2", "smiles": "O=C(CCCCCCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCNC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O", "label": -1}, "2410": {"pro_comp_id": 1685, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "1685_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCC(=O)N3CCN(C(=O)C4=CC(CC5=N[NH]C(=O)C6=CC=CC=C56)=CC=C4F)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2411": {"pro_comp_id": 1686, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "1686_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CNC(=O)CCCCCCCCCCC(=O)N3CCN(C(=O)C4=CC(CC5=N[NH]C(=O)C6=CC=CC=C56)=CC=C4F)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2412": {"pro_comp_id": 1687, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "1687_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCNC(=O)CCCCCCCCCCC(=O)N3CCN(C(=O)C4=CC(CC5=N[NH]C(=O)C6=CC=CC=C56)=CC=C4F)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2413": {"pro_comp_id": 1688, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "1688_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCNC(=O)CCCCCCCCCCC(=O)N3CCN(C(=O)C4=CC(CC5=N[NH]C(=O)C6=CC=CC=C56)=CC=C4F)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2414": {"pro_comp_id": 1689, "tar_path": "TRKA_P04629.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TRKA_P04629_189_lig_smina_out.mol2", "protac_path": "1689_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCC(=O)N4CCN(C5=CC=CC(C6=CN=C7C=CC(N8CCC[C@@H]8C8=CC=CC(F)=C8)=NN67)=N5)CC4)=C3C2=O)C(=O)N1", "label": 1}, "2415": {"pro_comp_id": 1690, "tar_path": "TRKA_P04629.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TRKA_P04629_189_lig_smina_out.mol2", "protac_path": "1690_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCC(=O)N4CCN(C5=CC=CC(C6=CN=C7C=CC(N8CCC[C@@H]8C8=CC=CC(F)=C8)=NN67)=N5)CC4)=C3C2=O)C(=O)N1", "label": 1}, "2416": {"pro_comp_id": 1691, "tar_path": "TRKA_P04629.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TRKA_P04629_189_lig_smina_out.mol2", "protac_path": "1691_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCC(=O)N4CCN(C5=CC=CC(C6=CN=C7C=CC(N8CCC[C@@H]8C8=CC=CC(F)=C8)=NN67)=N5)CC4)=C3C2=O)C(=O)N1", "label": 1}, "2417": {"pro_comp_id": 1692, "tar_path": "TRKA_P04629.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TRKA_P04629_189_lig_smina_out.mol2", "protac_path": "1692_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCC(=O)N4CCN(C5=CC=CC(C6=CN=C7C=CC(N8CCC[C@@H]8C8=CC=CC(F)=C8)=NN67)=N5)CC4)=C3C2=O)C(=O)N1", "label": 1}, "2418": {"pro_comp_id": 1693, "tar_path": "TRKA_P04629.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TRKA_P04629_189_lig_smina_out.mol2", "protac_path": "1693_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCC(=O)N4CCN(C5=CC=CC(C6=CN=C7C=CC(N8CCC[C@@H]8C8=CC=CC(F)=C8)=NN67)=N5)CC4)=C3C2=O)C(=O)N1", "label": 1}, "2419": {"pro_comp_id": 1693, "tar_path": "TRKB_Q16620.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TRKB_Q16620_189_lig_smina_out.mol2", "protac_path": "1693_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCC(=O)N4CCN(C5=CC=CC(C6=CN=C7C=CC(N8CCC[C@@H]8C8=CC=CC(F)=C8)=NN67)=N5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "2420": {"pro_comp_id": 1693, "tar_path": "TRKC_Q16288.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TRKC_Q16288_189_lig_smina_out.mol2", "protac_path": "1693_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCC(=O)N4CCN(C5=CC=CC(C6=CN=C7C=CC(N8CCC[C@@H]8C8=CC=CC(F)=C8)=NN67)=N5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "2421": {"pro_comp_id": 1694, "tar_path": "TRKA_P04629.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TRKA_P04629_189_lig_smina_out.mol2", "protac_path": "1694_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCC(=O)N4CCN(C5=CC=CC(C6=CN=C7C=CC(N8CCC[C@@H]8C8=CC=CC(F)=C8)=NN67)=N5)CC4)=C3C2=O)C(=O)N1", "label": 1}, "2422": {"pro_comp_id": 1695, "tar_path": "TRKA_P04629.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TRKA_P04629_189_lig_smina_out.mol2", "protac_path": "1695_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCC(=O)N4CCN(C5=CC=CC(C6=CN=C7C=CC(N8CCC[C@@H]8C8=CC=CC(F)=C8)=NN67)=N5)CC4)=C3C2=O)C(=O)N1", "label": 1}, "2423": {"pro_comp_id": 1696, "tar_path": "TRKA_P04629.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TRKA_P04629_189_lig_smina_out.mol2", "protac_path": "1696_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCC(=O)N4CCN(C5=CC=CC(C6=CN=C7C=CC(N8CCC[C@@H]8C8=CC=CC(F)=C8)=NN67)=N5)CC4)=C3C2=O)C(=O)N1", "label": 1}, "2424": {"pro_comp_id": 1696, "tar_path": "TRKB_Q16620.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TRKB_Q16620_189_lig_smina_out.mol2", "protac_path": "1696_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCC(=O)N4CCN(C5=CC=CC(C6=CN=C7C=CC(N8CCC[C@@H]8C8=CC=CC(F)=C8)=NN67)=N5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "2425": {"pro_comp_id": 1696, "tar_path": "TRKC_Q16288.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TRKC_Q16288_189_lig_smina_out.mol2", "protac_path": "1696_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCC(=O)N4CCN(C5=CC=CC(C6=CN=C7C=CC(N8CCC[C@@H]8C8=CC=CC(F)=C8)=NN67)=N5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "2426": {"pro_comp_id": 1697, "tar_path": "TRKA_P04629.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TRKA_P04629_189_lig_smina_out.mol2", "protac_path": "1697_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCC(=O)N4CCN(C5=CC=CC(C6=CN=C7C=CC(N8CCC[C@@H]8C8=CC=CC(F)=C8)=NN67)=N5)CC4)=C3C2=O)C(=O)N1", "label": 1}, "2427": {"pro_comp_id": 1698, "tar_path": "TRKA_P04629.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TRKA_P04629_189_lig_smina_out.mol2", "protac_path": "1698_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCC(=O)N4CCN(C5=CC=CC(C6=CN=C7C=CC(N8CCC[C@@H]8C8=CC=CC(F)=C8)=NN67)=N5)CC4)=C3C2=O)C(=O)N1", "label": 1}, "2428": {"pro_comp_id": 1699, "tar_path": "TRKA_P04629.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TRKA_P04629_189_lig_smina_out.mol2", "protac_path": "1699_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOCCC(=O)N4CCN(C5=CC=CC(C6=CN=C7C=CC(N8CCC[C@@H]8C8=CC=CC(F)=C8)=NN67)=N5)CC4)=C3C2=O)C(=O)N1", "label": 1}, "2429": {"pro_comp_id": 1700, "tar_path": "IRAK3_Q9Y616.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "IRAK3_Q9Y616_217_lig_smina_out.mol2", "protac_path": "1700_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCC(=O)N3CCN([C@H]4CC[C@@H](NC5=NC=NN6C=CC(C(C)C)=C56)CC4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2430": {"pro_comp_id": 1701, "tar_path": "IRAK3_Q9Y616.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "IRAK3_Q9Y616_217_lig_smina_out.mol2", "protac_path": "1701_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCC(=O)N3CCN([C@H]4CC[C@@H](NC5=NC=NN6C=CC(C(C)C)=C56)CC4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2431": {"pro_comp_id": 1702, "tar_path": "IRAK3_Q9Y616.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "IRAK3_Q9Y616_217_lig_smina_out.mol2", "protac_path": "1702_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCOCC(=O)N3CCN([C@H]4CC[C@@H](NC5=NC=NN6C=CC(C(C)C)=C56)CC4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2432": {"pro_comp_id": 1703, "tar_path": "IRAK3_Q9Y616.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IRAK3_Q9Y616_217_lig_smina_out.mol2", "protac_path": "1703_protac.mol2", "smiles": "CC(C)C1=C2C(N[C@H]3CC[C@@H](N4CCN(C(=O)CCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)=NC=NN2C=C1", "label": -1}, "2433": {"pro_comp_id": 1704, "tar_path": "IRAK3_Q9Y616.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IRAK3_Q9Y616_217_lig_smina_out.mol2", "protac_path": "1704_protac.mol2", "smiles": "CC(C)C1=C2C(N[C@H]3CC[C@@H](N4CCN(C(=O)CCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)=NC=NN2C=C1", "label": -1}, "2434": {"pro_comp_id": 1705, "tar_path": "IRAK3_Q9Y616.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IRAK3_Q9Y616_217_lig_smina_out.mol2", "protac_path": "1705_protac.mol2", "smiles": "CC(C)C1=C2C(N[C@H]3CC[C@@H](N4CCN(C(=O)CCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)=NC=NN2C=C1", "label": -1}, "2435": {"pro_comp_id": 1706, "tar_path": "IRAK3_Q9Y616.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "IRAK3_Q9Y616_217_lig_smina_out.mol2", "protac_path": "1706_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCNC(=O)CCC(=O)N3CCN([C@H]4CC[C@@H](NC5=NC=NN6C=CC(C(C)C)=C56)CC4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2436": {"pro_comp_id": 1707, "tar_path": "IRAK3_Q9Y616.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "IRAK3_Q9Y616_217_lig_smina_out.mol2", "protac_path": "1707_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)CCC(=O)N3CCN([C@H]4CC[C@@H](NC5=NC=NN6C=CC(C(C)C)=C56)CC4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2437": {"pro_comp_id": 1708, "tar_path": "IRAK3_Q9Y616.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "IRAK3_Q9Y616_217_lig_smina_out.mol2", "protac_path": "1708_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCNC(=O)CCC(=O)N3CCN([C@H]4CC[C@@H](NC5=NC=NN6C=CC(C(C)C)=C56)CC4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2438": {"pro_comp_id": 1709, "tar_path": "IRAK3_Q9Y616.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "IRAK3_Q9Y616_217_lig_smina_out.mol2", "protac_path": "1709_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCNC(=O)CCC(=O)N3CCN([C@H]4CC[C@@H](NC5=NC=NN6C=CC(C(C)C)=C56)CC4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2439": {"pro_comp_id": 1710, "tar_path": "IRAK3_Q9Y616.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "IRAK3_Q9Y616_217_lig_smina_out.mol2", "protac_path": "1710_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCNC(=O)CCC(=O)N3CCN([C@H]4CC[C@@H](NC5=NC=NN6C=CC(C(C)C)=C56)CC4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2440": {"pro_comp_id": 1711, "tar_path": "IRAK3_Q9Y616.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IRAK3_Q9Y616_217_lig_smina_out.mol2", "protac_path": "1711_protac.mol2", "smiles": "CC(C)C1=C2C(N[C@H]3CC[C@@H](N4CCN(C(=O)CCC(=O)NCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)=NC=NN2C=C1", "label": -1}, "2441": {"pro_comp_id": 1712, "tar_path": "IRAK3_Q9Y616.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IRAK3_Q9Y616_217_lig_smina_out.mol2", "protac_path": "1712_protac.mol2", "smiles": "CC(C)C1=C2C(N[C@H]3CC[C@@H](N4CCN(C(=O)CCC(=O)NCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)=NC=NN2C=C1", "label": -1}, "2442": {"pro_comp_id": 1713, "tar_path": "IRAK3_Q9Y616.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IRAK3_Q9Y616_217_lig_smina_out.mol2", "protac_path": "1713_protac.mol2", "smiles": "CC(C)C1=C2C(N[C@H]3CC[C@@H](N4CCN(C(=O)CCC(=O)NCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)=NC=NN2C=C1", "label": -1}, "2443": {"pro_comp_id": 1714, "tar_path": "IRAK3_Q9Y616.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IRAK3_Q9Y616_217_lig_smina_out.mol2", "protac_path": "1714_protac.mol2", "smiles": "CC(C)C1=C2C(N[C@H]3CC[C@@H](N4CCN(C(=O)CCC(=O)NCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)=NC=NN2C=C1", "label": -1}, "2444": {"pro_comp_id": 1715, "tar_path": "IRAK3_Q9Y616.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IRAK3_Q9Y616_217_lig_smina_out.mol2", "protac_path": "1715_protac.mol2", "smiles": "CC(C)C1=C2C(N[C@H]3CC[C@@H](N4CCN(C(=O)CCC(=O)NCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)=NC=NN2C=C1", "label": -1}, "2445": {"pro_comp_id": 1716, "tar_path": "IRAK3_Q9Y616.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IRAK3_Q9Y616_217_lig_smina_out.mol2", "protac_path": "1716_protac.mol2", "smiles": "CC(C)C1=C2C(N[C@H]3CC[C@@H](N4CCN(C(=O)CCC(=O)N5CCC(CN6CCN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)CC6)CC5)CC4)CC3)=NC=NN2C=C1", "label": 0}, "2446": {"pro_comp_id": 1717, "tar_path": "IRAK3_Q9Y616.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IRAK3_Q9Y616_217_lig_smina_out.mol2", "protac_path": "1717_protac.mol2", "smiles": "CC(C)C1=C2C(N[C@H]3CC[C@@H](N4CCN(C(=O)CCC(=O)N5CCC(CCN6CCN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)CC6)CC5)CC4)CC3)=NC=NN2C=C1", "label": 1}, "2447": {"pro_comp_id": 1718, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MEK1_Q02750_124_lig_smina_out.mol2", "protac_path": "1718_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CNCCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2448": {"pro_comp_id": 1718, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MEK2_P36507_124_lig_smina_out.mol2", "protac_path": "1718_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CNCCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2449": {"pro_comp_id": 1719, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MEK1_Q02750_124_lig_smina_out.mol2", "protac_path": "1719_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCNCCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2450": {"pro_comp_id": 1719, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MEK2_P36507_124_lig_smina_out.mol2", "protac_path": "1719_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCNCCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2451": {"pro_comp_id": 1720, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MEK1_Q02750_124_lig_smina_out.mol2", "protac_path": "1720_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCNCCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2452": {"pro_comp_id": 1720, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MEK2_P36507_124_lig_smina_out.mol2", "protac_path": "1720_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCNCCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2453": {"pro_comp_id": 1721, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MEK1_Q02750_124_lig_smina_out.mol2", "protac_path": "1721_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCNCCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2454": {"pro_comp_id": 1721, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MEK2_P36507_124_lig_smina_out.mol2", "protac_path": "1721_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCNCCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2455": {"pro_comp_id": 1722, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MEK1_Q02750_124_lig_smina_out.mol2", "protac_path": "1722_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCNCCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2456": {"pro_comp_id": 1722, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MEK2_P36507_124_lig_smina_out.mol2", "protac_path": "1722_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCNCCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2457": {"pro_comp_id": 1723, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MEK1_Q02750_124_lig_smina_out.mol2", "protac_path": "1723_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCNCCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2458": {"pro_comp_id": 1723, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MEK2_P36507_124_lig_smina_out.mol2", "protac_path": "1723_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCNCCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2459": {"pro_comp_id": 1724, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MEK1_Q02750_124_lig_smina_out.mol2", "protac_path": "1724_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCNCCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2460": {"pro_comp_id": 1724, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MEK2_P36507_124_lig_smina_out.mol2", "protac_path": "1724_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCNCCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2461": {"pro_comp_id": 1725, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MEK1_Q02750_124_lig_smina_out.mol2", "protac_path": "1725_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCNCCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2462": {"pro_comp_id": 1725, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MEK2_P36507_124_lig_smina_out.mol2", "protac_path": "1725_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCNCCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2463": {"pro_comp_id": 1726, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MEK1_Q02750_124_lig_smina_out.mol2", "protac_path": "1726_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCNCCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2464": {"pro_comp_id": 1726, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MEK2_P36507_124_lig_smina_out.mol2", "protac_path": "1726_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCNCCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2465": {"pro_comp_id": 1727, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MEK1_Q02750_124_lig_smina_out.mol2", "protac_path": "1727_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCNCCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2466": {"pro_comp_id": 1727, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MEK2_P36507_124_lig_smina_out.mol2", "protac_path": "1727_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCNCCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2467": {"pro_comp_id": 1728, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MEK1_Q02750_124_lig_smina_out.mol2", "protac_path": "1728_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCNCCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2468": {"pro_comp_id": 1728, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MEK2_P36507_124_lig_smina_out.mol2", "protac_path": "1728_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCNCCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2469": {"pro_comp_id": 1729, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MEK1_Q02750_124_lig_smina_out.mol2", "protac_path": "1729_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCNCCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2470": {"pro_comp_id": 1729, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MEK2_P36507_124_lig_smina_out.mol2", "protac_path": "1729_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCNCCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2471": {"pro_comp_id": 1730, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MEK1_Q02750_124_lig_smina_out.mol2", "protac_path": "1730_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCNCCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2472": {"pro_comp_id": 1730, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MEK2_P36507_124_lig_smina_out.mol2", "protac_path": "1730_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCNCCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2473": {"pro_comp_id": 1731, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MEK1_Q02750_124_lig_smina_out.mol2", "protac_path": "1731_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCNCCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2474": {"pro_comp_id": 1731, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MEK2_P36507_124_lig_smina_out.mol2", "protac_path": "1731_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCNCCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2475": {"pro_comp_id": 1732, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK1_Q02750_124_lig_smina_out.mol2", "protac_path": "1732_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCNCCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2476": {"pro_comp_id": 1732, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK2_P36507_124_lig_smina_out.mol2", "protac_path": "1732_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCNCCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2477": {"pro_comp_id": 1733, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK1_Q02750_124_lig_smina_out.mol2", "protac_path": "1733_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCNCCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2478": {"pro_comp_id": 1733, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK2_P36507_124_lig_smina_out.mol2", "protac_path": "1733_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCNCCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2479": {"pro_comp_id": 1734, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK2_P36507_124_lig_smina_out.mol2", "protac_path": "1734_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCN(C)CCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": 1}, "2480": {"pro_comp_id": 1734, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK1_Q02750_124_lig_smina_out.mol2", "protac_path": "1734_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCN(C)CCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": 1}, "2481": {"pro_comp_id": 1735, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK1_Q02750_124_lig_smina_out.mol2", "protac_path": "1735_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCNCCCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2482": {"pro_comp_id": 1735, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK2_P36507_124_lig_smina_out.mol2", "protac_path": "1735_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCNCCCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2483": {"pro_comp_id": 1736, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK1_Q02750_124_lig_smina_out.mol2", "protac_path": "1736_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNCCCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2484": {"pro_comp_id": 1736, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK2_P36507_124_lig_smina_out.mol2", "protac_path": "1736_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNCCCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2485": {"pro_comp_id": 1737, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK2_P36507_124_lig_smina_out.mol2", "protac_path": "1737_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCNCCCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": 1}, "2486": {"pro_comp_id": 1737, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK1_Q02750_124_lig_smina_out.mol2", "protac_path": "1737_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCNCCCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": 1}, "2487": {"pro_comp_id": 1738, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MEK1_Q02750_124_lig_smina_out.mol2", "protac_path": "1738_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCNCCCONC(=O)C4=CC=C(F)C(F)=C4NC4=CC=C(I)C=C4F)=C3C2=O)C(=O)N1", "label": -1}, "2488": {"pro_comp_id": 1738, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MEK2_P36507_124_lig_smina_out.mol2", "protac_path": "1738_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCNCCCONC(=O)C4=CC=C(F)C(F)=C4NC4=CC=C(I)C=C4F)=C3C2=O)C(=O)N1", "label": -1}, "2489": {"pro_comp_id": 1739, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MEK1_Q02750_124_lig_smina_out.mol2", "protac_path": "1739_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCNCCCONC(=O)C4=CC=C(F)C(F)=C4NC4=CC=C(I)C=C4F)=C3C2=O)C(=O)N1", "label": -1}, "2490": {"pro_comp_id": 1739, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MEK2_P36507_124_lig_smina_out.mol2", "protac_path": "1739_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCNCCCONC(=O)C4=CC=C(F)C(F)=C4NC4=CC=C(I)C=C4F)=C3C2=O)C(=O)N1", "label": -1}, "2491": {"pro_comp_id": 1740, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MEK1_Q02750_124_lig_smina_out.mol2", "protac_path": "1740_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCNCCCONC(=O)C4=CC=C(F)C(F)=C4NC4=CC=C(I)C=C4F)=C3C2=O)C(=O)N1", "label": -1}, "2492": {"pro_comp_id": 1740, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MEK2_P36507_124_lig_smina_out.mol2", "protac_path": "1740_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCNCCCONC(=O)C4=CC=C(F)C(F)=C4NC4=CC=C(I)C=C4F)=C3C2=O)C(=O)N1", "label": -1}, "2493": {"pro_comp_id": 1741, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MEK1_Q02750_124_lig_smina_out.mol2", "protac_path": "1741_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCNCCCONC(=O)C4=CC=C(F)C(F)=C4NC4=CC=C(I)C=C4F)=C3C2=O)C(=O)N1", "label": -1}, "2494": {"pro_comp_id": 1741, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MEK2_P36507_124_lig_smina_out.mol2", "protac_path": "1741_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCNCCCONC(=O)C4=CC=C(F)C(F)=C4NC4=CC=C(I)C=C4F)=C3C2=O)C(=O)N1", "label": -1}, "2495": {"pro_comp_id": 1742, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MEK1_Q02750_124_lig_smina_out.mol2", "protac_path": "1742_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCNCCCONC(=O)C4=CC=C(F)C(F)=C4NC4=CC=C(I)C=C4F)=C3C2=O)C(=O)N1", "label": -1}, "2496": {"pro_comp_id": 1742, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MEK2_P36507_124_lig_smina_out.mol2", "protac_path": "1742_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCNCCCONC(=O)C4=CC=C(F)C(F)=C4NC4=CC=C(I)C=C4F)=C3C2=O)C(=O)N1", "label": -1}, "2497": {"pro_comp_id": 1743, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MEK1_Q02750_124_lig_smina_out.mol2", "protac_path": "1743_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCCNCCCONC(=O)C4=CC=C(F)C(F)=C4NC4=CC=C(I)C=C4F)=C3C2=O)C(=O)N1", "label": -1}, "2498": {"pro_comp_id": 1743, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MEK2_P36507_124_lig_smina_out.mol2", "protac_path": "1743_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCCNCCCONC(=O)C4=CC=C(F)C(F)=C4NC4=CC=C(I)C=C4F)=C3C2=O)C(=O)N1", "label": -1}, "2499": {"pro_comp_id": 1744, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MEK1_Q02750_124_lig_smina_out.mol2", "protac_path": "1744_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCNCCCONC(=O)C4=CC=C(F)C(F)=C4NC4=CC=C(I)C=C4F)=C3C2=O)C(=O)N1", "label": -1}, "2500": {"pro_comp_id": 1744, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MEK2_P36507_124_lig_smina_out.mol2", "protac_path": "1744_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCNCCCONC(=O)C4=CC=C(F)C(F)=C4NC4=CC=C(I)C=C4F)=C3C2=O)C(=O)N1", "label": -1}, "2501": {"pro_comp_id": 1745, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MEK1_Q02750_124_lig_smina_out.mol2", "protac_path": "1745_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCNCCCONC(=O)C4=CC=C(F)C(F)=C4NC4=CC=C(I)C=C4F)=C3C2=O)C(=O)N1", "label": -1}, "2502": {"pro_comp_id": 1745, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MEK2_P36507_124_lig_smina_out.mol2", "protac_path": "1745_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCNCCCONC(=O)C4=CC=C(F)C(F)=C4NC4=CC=C(I)C=C4F)=C3C2=O)C(=O)N1", "label": -1}, "2503": {"pro_comp_id": 1746, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MEK1_Q02750_124_lig_smina_out.mol2", "protac_path": "1746_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOCCNCCCONC(=O)C4=CC=C(F)C(F)=C4NC4=CC=C(I)C=C4F)=C3C2=O)C(=O)N1", "label": -1}, "2504": {"pro_comp_id": 1746, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MEK2_P36507_124_lig_smina_out.mol2", "protac_path": "1746_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOCCNCCCONC(=O)C4=CC=C(F)C(F)=C4NC4=CC=C(I)C=C4F)=C3C2=O)C(=O)N1", "label": -1}, "2505": {"pro_comp_id": 1747, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MEK1_Q02750_124_lig_smina_out.mol2", "protac_path": "1747_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOCCOCCNCCCONC(=O)C4=CC=C(F)C(F)=C4NC4=CC=C(I)C=C4F)=C3C2=O)C(=O)N1", "label": -1}, "2506": {"pro_comp_id": 1747, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MEK2_P36507_124_lig_smina_out.mol2", "protac_path": "1747_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOCCOCCNCCCONC(=O)C4=CC=C(F)C(F)=C4NC4=CC=C(I)C=C4F)=C3C2=O)C(=O)N1", "label": -1}, "2507": {"pro_comp_id": 1748, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MEK1_Q02750_124_lig_smina_out.mol2", "protac_path": "1748_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(NCCCNCCCONC(=O)C4=CC=C(F)C(F)=C4NC4=CC=C(I)C=C4F)C=C3C2=O)C(=O)N1", "label": -1}, "2508": {"pro_comp_id": 1748, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MEK2_P36507_124_lig_smina_out.mol2", "protac_path": "1748_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(NCCCNCCCONC(=O)C4=CC=C(F)C(F)=C4NC4=CC=C(I)C=C4F)C=C3C2=O)C(=O)N1", "label": -1}, "2509": {"pro_comp_id": 1749, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MEK1_Q02750_124_lig_smina_out.mol2", "protac_path": "1749_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(NCCCCNCCCONC(=O)C4=CC=C(F)C(F)=C4NC4=CC=C(I)C=C4F)C=C3C2=O)C(=O)N1", "label": -1}, "2510": {"pro_comp_id": 1749, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MEK2_P36507_124_lig_smina_out.mol2", "protac_path": "1749_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(NCCCCNCCCONC(=O)C4=CC=C(F)C(F)=C4NC4=CC=C(I)C=C4F)C=C3C2=O)C(=O)N1", "label": -1}, "2511": {"pro_comp_id": 1750, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MEK1_Q02750_124_lig_smina_out.mol2", "protac_path": "1750_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(NCCCCCNCCCONC(=O)C4=CC=C(F)C(F)=C4NC4=CC=C(I)C=C4F)C=C3C2=O)C(=O)N1", "label": -1}, "2512": {"pro_comp_id": 1750, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MEK2_P36507_124_lig_smina_out.mol2", "protac_path": "1750_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(NCCCCCNCCCONC(=O)C4=CC=C(F)C(F)=C4NC4=CC=C(I)C=C4F)C=C3C2=O)C(=O)N1", "label": -1}, "2513": {"pro_comp_id": 1751, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MEK1_Q02750_124_lig_smina_out.mol2", "protac_path": "1751_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(NCCCCCCNCCCONC(=O)C4=CC=C(F)C(F)=C4NC4=CC=C(I)C=C4F)C=C3C2=O)C(=O)N1", "label": -1}, "2514": {"pro_comp_id": 1751, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MEK2_P36507_124_lig_smina_out.mol2", "protac_path": "1751_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(NCCCCCCNCCCONC(=O)C4=CC=C(F)C(F)=C4NC4=CC=C(I)C=C4F)C=C3C2=O)C(=O)N1", "label": -1}, "2515": {"pro_comp_id": 1752, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MEK1_Q02750_124_lig_smina_out.mol2", "protac_path": "1752_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(NCCCCCCCNCCCONC(=O)C4=CC=C(F)C(F)=C4NC4=CC=C(I)C=C4F)C=C3C2=O)C(=O)N1", "label": -1}, "2516": {"pro_comp_id": 1752, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MEK2_P36507_124_lig_smina_out.mol2", "protac_path": "1752_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(NCCCCCCCNCCCONC(=O)C4=CC=C(F)C(F)=C4NC4=CC=C(I)C=C4F)C=C3C2=O)C(=O)N1", "label": -1}, "2517": {"pro_comp_id": 1753, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MEK1_Q02750_124_lig_smina_out.mol2", "protac_path": "1753_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(NCCCCCCCCNCCCONC(=O)C4=CC=C(F)C(F)=C4NC4=CC=C(I)C=C4F)C=C3C2=O)C(=O)N1", "label": -1}, "2518": {"pro_comp_id": 1753, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MEK2_P36507_124_lig_smina_out.mol2", "protac_path": "1753_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(NCCCCCCCCNCCCONC(=O)C4=CC=C(F)C(F)=C4NC4=CC=C(I)C=C4F)C=C3C2=O)C(=O)N1", "label": -1}, "2519": {"pro_comp_id": 1754, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MEK1_Q02750_124_lig_smina_out.mol2", "protac_path": "1754_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(NCCOCCNCCCONC(=O)C4=CC=C(F)C(F)=C4NC4=CC=C(I)C=C4F)C=C3C2=O)C(=O)N1", "label": -1}, "2520": {"pro_comp_id": 1754, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MEK2_P36507_124_lig_smina_out.mol2", "protac_path": "1754_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(NCCOCCNCCCONC(=O)C4=CC=C(F)C(F)=C4NC4=CC=C(I)C=C4F)C=C3C2=O)C(=O)N1", "label": -1}, "2521": {"pro_comp_id": 1755, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MEK1_Q02750_124_lig_smina_out.mol2", "protac_path": "1755_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(NCCOCCOCCNCCCONC(=O)C4=CC=C(F)C(F)=C4NC4=CC=C(I)C=C4F)C=C3C2=O)C(=O)N1", "label": -1}, "2522": {"pro_comp_id": 1755, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MEK2_P36507_124_lig_smina_out.mol2", "protac_path": "1755_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(NCCOCCOCCNCCCONC(=O)C4=CC=C(F)C(F)=C4NC4=CC=C(I)C=C4F)C=C3C2=O)C(=O)N1", "label": -1}, "2523": {"pro_comp_id": 1756, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MEK1_Q02750_124_lig_smina_out.mol2", "protac_path": "1756_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(NCCOCCOCCOCCNCCCONC(=O)C4=CC=C(F)C(F)=C4NC4=CC=C(I)C=C4F)C=C3C2=O)C(=O)N1", "label": -1}, "2524": {"pro_comp_id": 1756, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MEK2_P36507_124_lig_smina_out.mol2", "protac_path": "1756_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(NCCOCCOCCOCCNCCCONC(=O)C4=CC=C(F)C(F)=C4NC4=CC=C(I)C=C4F)C=C3C2=O)C(=O)N1", "label": -1}, "2525": {"pro_comp_id": 1757, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MEK1_Q02750_124_lig_smina_out.mol2", "protac_path": "1757_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(NCCOCCOCCOCCOCCNCCCONC(=O)C4=CC=C(F)C(F)=C4NC4=CC=C(I)C=C4F)C=C3C2=O)C(=O)N1", "label": -1}, "2526": {"pro_comp_id": 1757, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MEK2_P36507_124_lig_smina_out.mol2", "protac_path": "1757_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(NCCOCCOCCOCCOCCNCCCONC(=O)C4=CC=C(F)C(F)=C4NC4=CC=C(I)C=C4F)C=C3C2=O)C(=O)N1", "label": -1}, "2527": {"pro_comp_id": 1758, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MEK2_P36507_124_lig_smina_out.mol2", "protac_path": "1758_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(NCCOCCOCCOCCOCCOCCNCCCONC(=O)C4=CC=C(F)C(F)=C4NC4=CC=C(I)C=C4F)C=C3C2=O)C(=O)N1", "label": 1}, "2528": {"pro_comp_id": 1758, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MEK1_Q02750_124_lig_smina_out.mol2", "protac_path": "1758_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(NCCOCCOCCOCCOCCOCCNCCCONC(=O)C4=CC=C(F)C(F)=C4NC4=CC=C(I)C=C4F)C=C3C2=O)C(=O)N1", "label": 1}, "2529": {"pro_comp_id": 1759, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EZH2_Q15910_219_lig_smina_out.mol2", "protac_path": "1759_protac.mol2", "smiles": "CC[C@H](C)N1C=C(C)C2=C(C(=O)NCC3=C(C)C=C(C)[NH]C3=O)C=C(C3=CC=C(N4CCN(CCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)C=C21", "label": -1}, "2530": {"pro_comp_id": 1760, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EZH2_Q15910_219_lig_smina_out.mol2", "protac_path": "1760_protac.mol2", "smiles": "CC[C@H](C)N1C=C(C)C2=C(C(=O)NCC3=C(C)C=C(C)[NH]C3=O)C=C(C3=CC=C(N4CCN(CCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)C=C21", "label": -1}, "2531": {"pro_comp_id": 1761, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EZH2_Q15910_219_lig_smina_out.mol2", "protac_path": "1761_protac.mol2", "smiles": "CC[C@H](C)N1C=C(C)C2=C(C(=O)NCC3=C(C)C=C(C)[NH]C3=O)C=C(C3=CC=C(N4CCN(CCCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)C=C21", "label": -1}, "2532": {"pro_comp_id": 1762, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EZH2_Q15910_219_lig_smina_out.mol2", "protac_path": "1762_protac.mol2", "smiles": "CC[C@H](C)N1C=C(C)C2=C(C(=O)NCC3=C(C)C=C(C)[NH]C3=O)C=C(C3=CC=C(N4CCN(CCCCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)C=C21", "label": -1}, "2533": {"pro_comp_id": 1763, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EZH2_Q15910_219_lig_smina_out.mol2", "protac_path": "1763_protac.mol2", "smiles": "CC[C@H](C)N1C=C(C)C2=C(C(=O)NCC3=C(C)C=C(C)[NH]C3=O)C=C(C3=CC=C(N4CCN(CCCCCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)C=C21", "label": -1}, "2534": {"pro_comp_id": 1764, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EZH2_Q15910_219_lig_smina_out.mol2", "protac_path": "1764_protac.mol2", "smiles": "CC[C@H](C)N1C=C(C)C2=C(C(=O)NCC3=C(C)C=C(C)[NH]C3=O)C=C(C3=CC=C(N4CCN(CCCCCCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)C=C21", "label": -1}, "2535": {"pro_comp_id": 1765, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EZH2_Q15910_219_lig_smina_out.mol2", "protac_path": "1765_protac.mol2", "smiles": "CC[C@H](C)N1C=C(C)C2=C(C(=O)NCC3=C(C)C=C(C)[NH]C3=O)C=C(C3=CC=C(N4CCN(CCCCCCCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)C=C21", "label": -1}, "2536": {"pro_comp_id": 1766, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EZH2_Q15910_219_lig_smina_out.mol2", "protac_path": "1766_protac.mol2", "smiles": "CC[C@H](C)N1C=C(C)C2=C(C(=O)NCC3=C(C)C=C(C)[NH]C3=O)C=C(C3=CC=C(N4CCN(CCCCCCCCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)C=C21", "label": -1}, "2537": {"pro_comp_id": 1767, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EZH2_Q15910_219_lig_smina_out.mol2", "protac_path": "1767_protac.mol2", "smiles": "CC[C@H](C)N1C=C(C)C2=C(C(=O)NCC3=C(C)C=C(C)[NH]C3=O)C=C(C3=CC=C(N4CCN(CCCCCCCCCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)C=C21", "label": -1}, "2538": {"pro_comp_id": 1768, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EZH2_Q15910_231_lig_smina_out.mol2", "protac_path": "1768_protac.mol2", "smiles": "CCN(C1=CC(C2=CC=C(CN3CCN(CCCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1", "label": -1}, "2539": {"pro_comp_id": 1769, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EZH2_Q15910_231_lig_smina_out.mol2", "protac_path": "1769_protac.mol2", "smiles": "CCN(C1=CC(C2=CC=C(CN3CCN(CCCCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1", "label": -1}, "2540": {"pro_comp_id": 1770, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EZH2_Q15910_231_lig_smina_out.mol2", "protac_path": "1770_protac.mol2", "smiles": "CCN(C1=CC(C2=CC=C(CN3CCN(CCCCCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1", "label": -1}, "2541": {"pro_comp_id": 1771, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EZH2_Q15910_231_lig_smina_out.mol2", "protac_path": "1771_protac.mol2", "smiles": "CCN(C1=CC(C2=CC=C(CN3CCN(CCCCCCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1", "label": -1}, "2542": {"pro_comp_id": 1772, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EZH2_Q15910_231_lig_smina_out.mol2", "protac_path": "1772_protac.mol2", "smiles": "CCN(C1=CC(C2=CC=C(CN3CCN(CCCCCCCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1", "label": -1}, "2543": {"pro_comp_id": 1773, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EZH2_Q15910_231_lig_smina_out.mol2", "protac_path": "1773_protac.mol2", "smiles": "CCN(C1=CC(C2=CC=C(CN3CCN(CCCCCCCCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1", "label": -1}, "2544": {"pro_comp_id": 1774, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EZH2_Q15910_231_lig_smina_out.mol2", "protac_path": "1774_protac.mol2", "smiles": "CCN(C1=CC(C2=CC=C(CN3CCN(CCCCCCCCCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1", "label": -1}, "2545": {"pro_comp_id": 1775, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EZH2_Q15910_231_lig_smina_out.mol2", "protac_path": "1775_protac.mol2", "smiles": "CCN(C1=CC(C2=CC=C(CN3CCN(CCCCCCCCCCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1", "label": -1}, "2546": {"pro_comp_id": 1776, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EZH2_Q15910_231_lig_smina_out.mol2", "protac_path": "1776_protac.mol2", "smiles": "CCN(C1=CC(C2=CC=C(CN3CCN(CCCCCCCCCCCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1", "label": -1}, "2547": {"pro_comp_id": 1777, "tar_path": "PRMT5_O14744.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PRMT5_O14744_256_lig_smina_out.mol2", "protac_path": "1777_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCC(=O)N3CC(NC4=CC(C(=O)NC[C@H](O)CN5CCC6=CC=CC=C6C5)=NC=N4)C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2548": {"pro_comp_id": 1778, "tar_path": "PRMT5_O14744.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PRMT5_O14744_256_lig_smina_out.mol2", "protac_path": "1778_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCC(=O)N3CC(NC4=CC(C(=O)NC[C@H](O)CN5CCC6=CC=CC=C6C5)=NC=N4)C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2549": {"pro_comp_id": 1779, "tar_path": "PRMT5_O14744.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PRMT5_O14744_256_lig_smina_out.mol2", "protac_path": "1779_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCC(=O)N3CC(NC4=CC(C(=O)NC[C@H](O)CN5CCC6=CC=CC=C6C5)=NC=N4)C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2550": {"pro_comp_id": 1780, "tar_path": "PRMT5_O14744.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PRMT5_O14744_256_lig_smina_out.mol2", "protac_path": "1780_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCC(=O)N3CC(NC4=CC(C(=O)NC[C@H](O)CN5CCC6=CC=CC=C6C5)=NC=N4)C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2551": {"pro_comp_id": 1781, "tar_path": "PRMT5_O14744.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PRMT5_O14744_256_lig_smina_out.mol2", "protac_path": "1781_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCC(=O)N3CC(NC4=CC(C(=O)NC[C@H](O)CN5CCC6=CC=CC=C6C5)=NC=N4)C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2552": {"pro_comp_id": 1782, "tar_path": "PRMT5_O14744.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PRMT5_O14744_256_lig_smina_out.mol2", "protac_path": "1782_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCC(=O)N3CC(NC4=CC(C(=O)NC[C@H](O)CN5CCC6=CC=CC=C6C5)=NC=N4)C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "2553": {"pro_comp_id": 1783, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_243_lig_smina_out.mol2", "protac_path": "1783_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C3=CC4=C(C=C3CS(C)(=O)=O)C3=CN(C)C(=O)C5=C3C(=C[NH]5)CN4C3=NC=C(F)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": 1}, "2554": {"pro_comp_id": 1784, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_243_lig_smina_out.mol2", "protac_path": "1784_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNC(=O)C3=CC4=C(C=C3CS(C)(=O)=O)C3=CN(C)C(=O)C5=C3C(=C[NH]5)CN4C3=NC=C(F)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": 1}, "2555": {"pro_comp_id": 1785, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_243_lig_smina_out.mol2", "protac_path": "1785_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C3=CC4=C(C=C3CS(C)(=O)=O)C3=CN(C)C(=O)C5=C3C(=C[NH]5)CN4C3=NC=C(F)C=C3F)C(C)(C)C)C(OC3CCNCC3)=C2)SC=N1", "label": 0}, "2556": {"pro_comp_id": 1786, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_243_lig_smina_out.mol2", "protac_path": "1786_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNC(=O)C3=CC4=C(C=C3CS(C)(=O)=O)C3=CN(C)C(=O)C5=C3C(=C[NH]5)CN4C3=NC=C(F)C=C3F)C(C)(C)C)C(OC3CCNCC3)=C2)SC=N1", "label": 1}, "2557": {"pro_comp_id": 1787, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_243_lig_smina_out.mol2", "protac_path": "1787_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCC3=CC(N)=CC(OCCNC(=O)C4=CC5=C(C=C4CS(C)(=O)=O)C4=CN(C)C(=O)C6=C4C(=C[NH]6)CN5C4=NC=C(F)C=C4F)=C3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "2558": {"pro_comp_id": 1788, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_243_lig_smina_out.mol2", "protac_path": "1788_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCC3=CC(O)=CC(OCCNC(=O)C4=CC5=C(C=C4CS(C)(=O)=O)C4=CN(C)C(=O)C6=C4C(=C[NH]6)CN5C4=NC=C(F)C=C4F)=C3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "2559": {"pro_comp_id": 1789, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "1789_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(N)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": 0}, "2560": {"pro_comp_id": 1790, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "1790_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(C#CCN)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": 0}, "2561": {"pro_comp_id": 1791, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "1791_protac.mol2", "smiles": "CNCCOC1=CC(C2=C(C)N=CS2)=CC=C1CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C2=C(SC(C)=C2C)N2C(C)=NN=C12)C(C)(C)C", "label": 0}, "2562": {"pro_comp_id": 1792, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "1792_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C(OC3CCNCC3)=C2)SC=N1", "label": 0}, "2563": {"pro_comp_id": 1793, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "1793_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCC3=CC(N)=CC(OCCNC(=O)C[C@@H]4N=C(C5=CC=C(Cl)C=C5)C5=C(SC(C)=C5C)N5C(C)=NN=C45)=C3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "2564": {"pro_comp_id": 1794, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "1794_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COC[C@@H]3CNC[C@H](COCCNC(=O)C[C@@H]4N=C(C5=CC=C(Cl)C=C5)C5=C(SC(C)=C5C)N5C(C)=NN=C45)C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "2565": {"pro_comp_id": 1795, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "1795_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCC3=CC(N)=CC(CCOCCOCC#CC4=CC=C(C5=N[C@@H](CC6=NC=CS6)C6=NN=C(C)N6C6=C5C(C)=C(C)S6)C=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "2566": {"pro_comp_id": 1796, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "1796_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCC3=CC(N)=CC(CCOCCOCC#CC4=CC=C(C5=N[C@@H](CC(=O)NCCS(=O)(=O)O)C6=NN=C(C)N6C6=C5C(C)=C(C)S6)C=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "2567": {"pro_comp_id": 1797, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "1797_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCC#CC#CCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": 1}, "2568": {"pro_comp_id": 1798, "tar_path": "IRAK4_Q9NWZ3.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IRAK4_Q9NWZ3_251_lig_smina_out.mol2", "protac_path": "1798_protac.mol2", "smiles": "CCOC1=CC2=C(C=C1NC(=O)C1=CC=CC(C(F)(F)F)=N1)N(C)C(CCC(C)(C)C(=O)NCCNC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)=N2", "label": -1}, "2569": {"pro_comp_id": 1799, "tar_path": "IRAK4_Q9NWZ3.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IRAK4_Q9NWZ3_251_lig_smina_out.mol2", "protac_path": "1799_protac.mol2", "smiles": "CCOC1=CC2=C(C=C1NC(=O)C1=CC=CC(C(F)(F)F)=N1)N(C)C(CCC(C)(C)C(=O)NCCCNC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)=N2", "label": -1}, "2570": {"pro_comp_id": 1800, "tar_path": "IRAK4_Q9NWZ3.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IRAK4_Q9NWZ3_251_lig_smina_out.mol2", "protac_path": "1800_protac.mol2", "smiles": "CCOC1=CC2=C(C=C1NC(=O)C1=CC=CC(C(F)(F)F)=N1)N(C)C(CCC(C)(C)C(=O)NCCCCNC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)=N2", "label": -1}, "2571": {"pro_comp_id": 1801, "tar_path": "IRAK4_Q9NWZ3.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IRAK4_Q9NWZ3_251_lig_smina_out.mol2", "protac_path": "1801_protac.mol2", "smiles": "CCOC1=CC2=C(C=C1NC(=O)C1=CC=CC(C(F)(F)F)=N1)N(C)C(CCC(C)(C)C(=O)NCCCCCNC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)=N2", "label": -1}, "2572": {"pro_comp_id": 1802, "tar_path": "IRAK4_Q9NWZ3.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IRAK4_Q9NWZ3_251_lig_smina_out.mol2", "protac_path": "1802_protac.mol2", "smiles": "CCOC1=CC2=C(C=C1NC(=O)C1=CC=CC(C(F)(F)F)=N1)N(C)C(CCC(C)(C)C(=O)NCCCCCCNC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)=N2", "label": -1}, "2573": {"pro_comp_id": 1803, "tar_path": "IRAK4_Q9NWZ3.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IRAK4_Q9NWZ3_251_lig_smina_out.mol2", "protac_path": "1803_protac.mol2", "smiles": "CCOC1=CC2=C(C=C1NC(=O)C1=CC=CC(C(F)(F)F)=N1)N(C)C(CCC(C)(C)C(=O)NCCCCCCCNC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)=N2", "label": -1}, "2574": {"pro_comp_id": 1804, "tar_path": "IRAK4_Q9NWZ3.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IRAK4_Q9NWZ3_251_lig_smina_out.mol2", "protac_path": "1804_protac.mol2", "smiles": "CCOC1=CC2=C(C=C1NC(=O)C1=CC=CC(C(F)(F)F)=N1)N(C)C(CCC(C)(C)C(=O)NCCOCCNC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)=N2", "label": -1}, "2575": {"pro_comp_id": 1805, "tar_path": "IRAK4_Q9NWZ3.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IRAK4_Q9NWZ3_251_lig_smina_out.mol2", "protac_path": "1805_protac.mol2", "smiles": "CCOC1=CC2=C(C=C1NC(=O)C1=CC=CC(C(F)(F)F)=N1)N(C)C(CCC(C)(C)C(=O)NCCOCCOCCNC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)=N2", "label": -1}, "2576": {"pro_comp_id": 1806, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_35_lig_smina_out.mol2", "protac_path": "1806_protac.mol2", "smiles": "CN(C1=NC=CN=C1CNC1=NC(NC2=CC=C(C(=O)NCC3=CN(CCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O", "label": 1}, "2577": {"pro_comp_id": 1807, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_35_lig_smina_out.mol2", "protac_path": "1807_protac.mol2", "smiles": "CN(C1=NC=CN=C1CNC1=NC(NC2=CC=C(C(=O)NCC3=CN(CCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O", "label": 1}, "2578": {"pro_comp_id": 1808, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_35_lig_smina_out.mol2", "protac_path": "1808_protac.mol2", "smiles": "CN(C1=NC=CN=C1CNC1=NC(NC2=CC=C(C(=O)NCC3=CN(CCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O", "label": 1}, "2579": {"pro_comp_id": 1809, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_179_lig_smina_out.mol2", "protac_path": "1809_protac.mol2", "smiles": "CN(C1=NC=CC=C1CNC1=NC(NC2=CC=C(C(=O)NCC3=CN(CCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O", "label": 1}, "2580": {"pro_comp_id": 1810, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_179_lig_smina_out.mol2", "protac_path": "1810_protac.mol2", "smiles": "CN(C1=NC=CC=C1CNC1=NC(NC2=CC=C(C(=O)NCC3=CN(CCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O", "label": 1}, "2581": {"pro_comp_id": 1811, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_179_lig_smina_out.mol2", "protac_path": "1811_protac.mol2", "smiles": "CN(C1=NC=CC=C1CNC1=NC(NC2=CC=C(C(=O)NCC3=CN(CCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O", "label": 1}, "2582": {"pro_comp_id": 1812, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_35_lig_smina_out.mol2", "protac_path": "1812_protac.mol2", "smiles": "CN(C1=NC=CN=C1CNC1=NC(NC2=CC=C(NC(=O)C3=CN(CCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O", "label": 1}, "2583": {"pro_comp_id": 1813, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_35_lig_smina_out.mol2", "protac_path": "1813_protac.mol2", "smiles": "CN(C1=NC=CN=C1CNC1=NC(NC2=CC=C(NC(=O)C3=CN(CCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O", "label": 1}, "2584": {"pro_comp_id": 1814, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_35_lig_smina_out.mol2", "protac_path": "1814_protac.mol2", "smiles": "CN(C1=NC=CN=C1CNC1=NC(NC2=CC=C(NC(=O)C3=CN(CCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O", "label": 1}, "2585": {"pro_comp_id": 1815, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_179_lig_smina_out.mol2", "protac_path": "1815_protac.mol2", "smiles": "CN(C1=NC=CC=C1CNC1=NC(NC2=CC=C(NC(=O)C3=CN(CCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O", "label": 1}, "2586": {"pro_comp_id": 1816, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_179_lig_smina_out.mol2", "protac_path": "1816_protac.mol2", "smiles": "CN(C1=NC=CC=C1CNC1=NC(NC2=CC=C(NC(=O)C3=CN(CCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O", "label": 1}, "2587": {"pro_comp_id": 1817, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_179_lig_smina_out.mol2", "protac_path": "1817_protac.mol2", "smiles": "CN(C1=NC=CC=C1CNC1=NC(NC2=CC=C(NC(=O)C3=CN(CCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O", "label": 1}, "2588": {"pro_comp_id": 1818, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_179_lig_smina_out.mol2", "protac_path": "1818_protac.mol2", "smiles": "CN(C1=NC=CC=C1CNC1=NC(NC2=CC=C(NC(=O)C3=CN(CCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O", "label": 1}, "2589": {"pro_comp_id": 1819, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FAK_Q05397_179_lig_smina_out.mol2", "protac_path": "1819_protac.mol2", "smiles": "CN(C1=NC=CC=C1CNC1=NC(NC2=CC=C(NC(=O)C3=CN(CCOCCOCC#CC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O", "label": 1}, "2590": {"pro_comp_id": 1820, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FAK_Q05397_179_lig_smina_out.mol2", "protac_path": "1820_protac.mol2", "smiles": "CN(C1=NC=CC=C1CNC1=NC(NC2=CC=C(NC(=O)C3=CN(CCCCCOCC#CC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O", "label": 1}, "2591": {"pro_comp_id": 1821, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FAK_Q05397_179_lig_smina_out.mol2", "protac_path": "1821_protac.mol2", "smiles": "CN(C1=NC=CC=C1CNC1=NC(NC2=CC=C(NC(=O)C3=CN(CCCCCCCC#CC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O", "label": 1}, "2592": {"pro_comp_id": 1822, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FAK_Q05397_179_lig_smina_out.mol2", "protac_path": "1822_protac.mol2", "smiles": "CN(C1=NC=CC=C1CNC1=NC(NC2=CC=C(NC(=O)C3=CN(CCOCCOCCCC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O", "label": 1}, "2593": {"pro_comp_id": 1823, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FAK_Q05397_179_lig_smina_out.mol2", "protac_path": "1823_protac.mol2", "smiles": "CN(C1=NC=CC=C1CNC1=NC(NC2=CC=C(NC(=O)C3=CN(CCCCCOCCCC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O", "label": 1}, "2594": {"pro_comp_id": 1824, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FAK_Q05397_179_lig_smina_out.mol2", "protac_path": "1824_protac.mol2", "smiles": "CN(C1=NC=CC=C1CNC1=NC(NC2=CC=C(NC(=O)C3=CN(CCCCCCCCCC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O", "label": 1}, "2595": {"pro_comp_id": 1825, "tar_path": "SIR2_Q8IXJ6.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SIRT2_Q8IXJ6_252_lig_smina_out.mol2", "protac_path": "1825_protac.mol2", "smiles": "CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)CCOCCOCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)C(=O)NC1=CC=CC=C1", "label": -1}, "2596": {"pro_comp_id": 1826, "tar_path": "SIR2_Q8IXJ6.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SIRT2_Q8IXJ6_252_lig_smina_out.mol2", "protac_path": "1826_protac.mol2", "smiles": "CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)CCOCCOCCOCCOCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)C(=O)NC1=CC=CC=C1", "label": -1}, "2597": {"pro_comp_id": 1827, "tar_path": "HPGDS_O60760.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HPGDS_O60760_262_lig_smina_out.mol2", "protac_path": "1827_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOCCOCCC(=O)N4CCN(C(=O)C5CCN(C6=CC=C(NC(=O)C7=CN=C(OC8=CC=CC=C8)N=C7)C=C6)CC5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "2598": {"pro_comp_id": 1828, "tar_path": "HPGDS_O60760.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_48_lig_smina_out.mol2", "war_path": "HPGDS_O60760_262_lig_smina_out.mol2", "protac_path": "1828_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=CC(OCCOCCOCC(=O)N3CCN(C(=O)C4CCN(C5=CC=C(NC(=O)C6=CN=C(OC7=CC=CC=C7)N=C6)C=C5)CC4)CC3)=C2)=CS1)C1CCCCC1", "label": 0}, "2599": {"pro_comp_id": 1829, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "IDO1_P14902_213_lig_smina_out.mol2", "protac_path": "1829_protac.mol2", "smiles": "O=C1CCC(N2CC3=C(NC(=O)COCCOCCNCCNC4=NON=C4/C(=N\\O)NC4=CC=C(F)C(Br)=C4)C=CC=C3C2=O)C(=O)N1", "label": 0}, "2600": {"pro_comp_id": 1830, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "IDO1_P14902_213_lig_smina_out.mol2", "protac_path": "1830_protac.mol2", "smiles": "O=C1CCC(N2CC3=C(NC(=O)COCCOCCOCCNCCNC4=NON=C4/C(=N\\O)NC4=CC=C(F)C(Br)=C4)C=CC=C3C2=O)C(=O)N1", "label": 0}, "2601": {"pro_comp_id": 1831, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "IDO1_P14902_213_lig_smina_out.mol2", "protac_path": "1831_protac.mol2", "smiles": "O=C1CCC(N2CC3=C(NC(=O)COCCOCCOCCOCCNCCNC4=NON=C4/C(=N\\O)NC4=CC=C(F)C(Br)=C4)C=CC=C3C2=O)C(=O)N1", "label": 0}, "2602": {"pro_comp_id": 1832, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IDO1_P14902_213_lig_smina_out.mol2", "protac_path": "1832_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCNCCNC4=NON=C4/C(=N\\O)NC4=CC=C(F)C(Br)=C4)=C3C2=O)C(=O)N1", "label": 0}, "2603": {"pro_comp_id": 1833, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IDO1_P14902_213_lig_smina_out.mol2", "protac_path": "1833_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOCCOCCNCCNC4=NON=C4/C(=N\\O)NC4=CC=C(F)C(Br)=C4)=C3C2=O)C(=O)N1", "label": 0}, "2604": {"pro_comp_id": 1834, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IDO1_P14902_213_lig_smina_out.mol2", "protac_path": "1834_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOCCOCCOCCOCCNCCNC4=NON=C4/C(=N\\O)NC4=CC=C(F)C(Br)=C4)=C3C2=O)C(=O)N1", "label": 0}, "2605": {"pro_comp_id": 1835, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IDO1_P14902_213_lig_smina_out.mol2", "protac_path": "1835_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNCCNC4=NON=C4/C(=N\\O)NC4=CC=C(F)C(Br)=C4)=C3C2=O)C(=O)N1", "label": 0}, "2606": {"pro_comp_id": 1836, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SHP2_Q06124_220_lig_smina_out.mol2", "protac_path": "1836_protac.mol2", "smiles": "CC1(NCC2=CN(CCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)CCN(C2=CN=C(C3=CC=CC(Cl)=C3Cl)C(N)=N2)CC1", "label": -1}, "2607": {"pro_comp_id": 1837, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SHP2_Q06124_220_lig_smina_out.mol2", "protac_path": "1837_protac.mol2", "smiles": "CC1(NCC2=CN(CCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)CCN(C2=CN=C(C3=CC=CC(Cl)=C3Cl)C(N)=N2)CC1", "label": -1}, "2608": {"pro_comp_id": 1838, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SHP2_Q06124_220_lig_smina_out.mol2", "protac_path": "1838_protac.mol2", "smiles": "CC1(NCC2=CN(CCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)CCN(C2=CN=C(C3=CC=CC(Cl)=C3Cl)C(N)=N2)CC1", "label": -1}, "2609": {"pro_comp_id": 1839, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SHP2_Q06124_220_lig_smina_out.mol2", "protac_path": "1839_protac.mol2", "smiles": "CC1(NCC2=CN(CCOCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)CCN(C2=CN=C(C3=CC=CC(Cl)=C3Cl)C(N)=N2)CC1", "label": -1}, "2610": {"pro_comp_id": 1840, "tar_path": "ADRA1A_P35348.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ADRA1A_P35348_240_lig_smina_out.mol2", "protac_path": "1840_protac.mol2", "smiles": "COC1=CC2=NC(N3CCN(C(=O)C4=CN(CCOCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)=NC(N)=C2C=C1OC", "label": 0}, "2611": {"pro_comp_id": 1841, "tar_path": "ADRA1A_P35348.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ADRA1A_P35348_240_lig_smina_out.mol2", "protac_path": "1841_protac.mol2", "smiles": "COC1=CC2=NC(N3CCN(C(=O)C4=CN(CCOCCOCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)=NC(N)=C2C=C1OC", "label": -1}, "2612": {"pro_comp_id": 1842, "tar_path": "ADRA1A_P35348.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ADRA1A_P35348_240_lig_smina_out.mol2", "protac_path": "1842_protac.mol2", "smiles": "COC1=CC2=NC(N3CCN(C(=O)C4=CN(CCOCCOCCOCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)=NC(N)=C2C=C1OC", "label": 0}, "2613": {"pro_comp_id": 1843, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_264_lig_smina_out.mol2", "protac_path": "1843_protac.mol2", "smiles": "O=C(CCCCCCNC(=O)C1=CC=C(NC(=O)COCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)NO", "label": -1}, "2614": {"pro_comp_id": 1843, "tar_path": "HDAC2_Q92769.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HDAC2_Q92769_264_lig_smina_out.mol2", "protac_path": "1843_protac.mol2", "smiles": "O=C(CCCCCCNC(=O)C1=CC=C(NC(=O)COCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)NO", "label": -1}, "2615": {"pro_comp_id": 1843, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HDAC3_O15379_264_lig_smina_out.mol2", "protac_path": "1843_protac.mol2", "smiles": "O=C(CCCCCCNC(=O)C1=CC=C(NC(=O)COCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)NO", "label": -1}, "2616": {"pro_comp_id": 1843, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_264_lig_smina_out.mol2", "protac_path": "1843_protac.mol2", "smiles": "O=C(CCCCCCNC(=O)C1=CC=C(NC(=O)COCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)NO", "label": -1}, "2617": {"pro_comp_id": 1843, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_264_lig_smina_out.mol2", "protac_path": "1843_protac.mol2", "smiles": "O=C(CCCCCCNC(=O)C1=CC=C(NC(=O)COCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)NO", "label": -1}, "2618": {"pro_comp_id": 1843, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_264_lig_smina_out.mol2", "protac_path": "1843_protac.mol2", "smiles": "O=C(CCCCCCNC(=O)C1=CC=C(NC(=O)COCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)NO", "label": -1}, "2619": {"pro_comp_id": 1844, "tar_path": "CD147_P35613.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CD147_P35613_214_lig_smina_out.mol2", "protac_path": "1844_protac.mol2", "smiles": "COC(=O)C1=CC[C@]23CC[C@@H]([C@@]2(OC(C)=O)CC1)[C@@](C)(/C=C/C=C(\\C)C(=O)OC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)OC3=O", "label": 0}, "2620": {"pro_comp_id": 1845, "tar_path": "CD147_P35613.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CD147_P35613_214_lig_smina_out.mol2", "protac_path": "1845_protac.mol2", "smiles": "COC(=O)C1=CC[C@]23CC[C@@H]([C@@]2(OC(C)=O)CC1)[C@@](C)(/C=C/C=C(\\C)C(=O)OCOC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)OC3=O", "label": 0}, "2621": {"pro_comp_id": 1846, "tar_path": "CD147_P35613.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CD147_P35613_214_lig_smina_out.mol2", "protac_path": "1846_protac.mol2", "smiles": "COC(=O)C1=CC[C@]23CC[C@@H]([C@@]2(OC(C)=O)CC1)[C@@](C)(/C=C/C=C(\\C)C(=O)OCCOC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)OC3=O", "label": 0}, "2622": {"pro_comp_id": 1847, "tar_path": "CD147_P35613.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CD147_P35613_214_lig_smina_out.mol2", "protac_path": "1847_protac.mol2", "smiles": "COC(=O)C1=CC[C@]23CC[C@@H]([C@@]2(OC(C)=O)CC1)[C@@](C)(/C=C/C=C(\\C)C(=O)OCCCOC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)OC3=O", "label": 0}, "2623": {"pro_comp_id": 1848, "tar_path": "CD147_P35613.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CD147_P35613_214_lig_smina_out.mol2", "protac_path": "1848_protac.mol2", "smiles": "COC(=O)C1=CC[C@]23CC[C@@H]([C@@]2(OC(C)=O)CC1)[C@@](C)(/C=C/C=C(\\C)C(=O)OCCCCCOC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)OC3=O", "label": 0}, "2624": {"pro_comp_id": 1849, "tar_path": "CD147_P35613.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CD147_P35613_214_lig_smina_out.mol2", "protac_path": "1849_protac.mol2", "smiles": "COC(=O)C1=CC[C@]23CC[C@@H]([C@@]2(OC(C)=O)CC1)[C@@](C)(/C=C/C=C(\\C)C(=O)OCCCCCCCOC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)OC3=O", "label": 0}, "2625": {"pro_comp_id": 1850, "tar_path": "CD147_P35613.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CD147_P35613_214_lig_smina_out.mol2", "protac_path": "1850_protac.mol2", "smiles": "COC(=O)C1=CC[C@]23CC[C@@H]([C@@]2(OC(C)=O)CC1)[C@@](C)(/C=C/C=C(\\C)C(=O)OCCOCCOCCOC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)OC3=O", "label": 0}, "2626": {"pro_comp_id": 1851, "tar_path": "CD147_P35613.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CD147_P35613_214_lig_smina_out.mol2", "protac_path": "1851_protac.mol2", "smiles": "COC(=O)C1=CC[C@]23CC[C@@H]([C@@]2(OC(C)=O)CC1)[C@@](C)(/C=C/C=C(\\C)C(=O)OCCOCCOCCOCCOC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)OC3=O", "label": 0}, "2627": {"pro_comp_id": 1852, "tar_path": "CD147_P35613.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CD147_P35613_214_lig_smina_out.mol2", "protac_path": "1852_protac.mol2", "smiles": "COC(=O)C1=CC[C@]23CC[C@@H]([C@@]2(OC(C)=O)CC1)[C@@](C)(/C=C/C=C(\\C)C(=O)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)OC3=O", "label": 0}, "2628": {"pro_comp_id": 1853, "tar_path": "CD147_P35613.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CD147_P35613_214_lig_smina_out.mol2", "protac_path": "1853_protac.mol2", "smiles": "COC(=O)C1=CC[C@]23CC[C@@H]([C@@]2(OC(C)=O)CC1)[C@@](C)(/C=C/C=C(\\C)C(=O)NCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)OC3=O", "label": 0}, "2629": {"pro_comp_id": 1854, "tar_path": "CD147_P35613.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CD147_P35613_214_lig_smina_out.mol2", "protac_path": "1854_protac.mol2", "smiles": "COC(=O)C1=CC[C@]23CC[C@@H]([C@@]2(OC(C)=O)CC1)[C@@](C)(/C=C/C=C(\\C)C(=O)NCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)OC3=O", "label": 0}, "2630": {"pro_comp_id": 1855, "tar_path": "CD147_P35613.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CD147_P35613_214_lig_smina_out.mol2", "protac_path": "1855_protac.mol2", "smiles": "COC(=O)C1=CC[C@]23CC[C@@H]([C@@]2(OC(C)=O)CC1)[C@@](C)(/C=C/C=C(\\C)C(=O)NCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)OC3=O", "label": 0}, "2631": {"pro_comp_id": 1856, "tar_path": "CD147_P35613.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CD147_P35613_214_lig_smina_out.mol2", "protac_path": "1856_protac.mol2", "smiles": "COC(=O)C1=CC[C@]23CC[C@@H]([C@@]2(OC(C)=O)CC1)[C@@](C)(/C=C/C=C(\\C)C(=O)N1CCN(C2=CC=CC4=C2C(=O)N(C2CCC(=O)NC2=O)C4=O)CC1)OC3=O", "label": 0}, "2632": {"pro_comp_id": 1857, "tar_path": "CD147_P35613.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CD147_P35613_214_lig_smina_out.mol2", "protac_path": "1857_protac.mol2", "smiles": "COC(=O)C1=CC[C@]23CC[C@@H]([C@@]2(OC(C)=O)CC1)[C@@](C)(/C=C/C=C(\\C)C(=O)NC1CCN(C2=CC=CC4=C2C(=O)N(C2CCC(=O)NC2=O)C4=O)CC1)OC3=O", "label": 0}, "2633": {"pro_comp_id": 1858, "tar_path": "CD147_P35613.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CD147_P35613_214_lig_smina_out.mol2", "protac_path": "1858_protac.mol2", "smiles": "COC(=O)C1=CC[C@]23CC[C@@H]([C@@]2(OC(C)=O)CC1)[C@@](C)(/C=C/C=C(\\C)C(=O)N1CCC(NC2=CC=CC4=C2C(=O)N(C2CCC(=O)NC2=O)C4=O)CC1)OC3=O", "label": 0}, "2634": {"pro_comp_id": 1859, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC3_O15379_86_lig_smina_out.mol2", "protac_path": "1859_protac.mol2", "smiles": "NC1=CC=CC=C1NC(=O)C1=CC=C(NC(=O)CCCCNC(=O)CNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "2635": {"pro_comp_id": 1860, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC3_O15379_86_lig_smina_out.mol2", "protac_path": "1860_protac.mol2", "smiles": "NC1=CC=CC=C1NC(=O)C1=CC=C(NC(=O)CCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "2636": {"pro_comp_id": 1861, "tar_path": "HDAC2_Q92769.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC2_Q92769_86_lig_smina_out.mol2", "protac_path": "1861_protac.mol2", "smiles": "NC1=CC=CC=C1NC(=O)C1=CC=C(NC(=O)CCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "2637": {"pro_comp_id": 1862, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC3_O15379_86_lig_smina_out.mol2", "protac_path": "1862_protac.mol2", "smiles": "NC1=CC=CC=C1NC(=O)C1=CC=C(NC(=O)CCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "2638": {"pro_comp_id": 1863, "tar_path": "HDAC2_Q92769.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC2_Q92769_86_lig_smina_out.mol2", "protac_path": "1863_protac.mol2", "smiles": "NC1=CC=CC=C1NC(=O)C1=CC=C(NC(=O)CCCCCNC(=O)CNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "2639": {"pro_comp_id": 1863, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC3_O15379_86_lig_smina_out.mol2", "protac_path": "1863_protac.mol2", "smiles": "NC1=CC=CC=C1NC(=O)C1=CC=C(NC(=O)CCCCCNC(=O)CNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "2640": {"pro_comp_id": 1864, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC3_O15379_86_lig_smina_out.mol2", "protac_path": "1864_protac.mol2", "smiles": "NC1=CC=CC=C1NC(=O)C1=CC=C(NC(=O)CCCNC(=O)CNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "2641": {"pro_comp_id": 1865, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC3_O15379_86_lig_smina_out.mol2", "protac_path": "1865_protac.mol2", "smiles": "NC1=CC(F)=CC=C1NC(=O)C1=CC=C(NC(=O)CCCCNC(=O)CNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": 0}, "2642": {"pro_comp_id": 1866, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_203_lig_smina_out.mol2", "protac_path": "1866_protac.mol2", "smiles": "N#CC1=CC=C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=CC=C(N3CCN(CCCCCCCCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)C=C1Cl", "label": -1}, "2643": {"pro_comp_id": 1867, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AR_P10275_203_lig_smina_out.mol2", "protac_path": "1867_protac.mol2", "smiles": "N#CC1=CC=C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=CC=C(N3CCN(CCCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)C=C1Cl", "label": -1}, "2644": {"pro_comp_id": 1868, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AR_P10275_203_lig_smina_out.mol2", "protac_path": "1868_protac.mol2", "smiles": "N#CC1=CC=C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=CC=C(N3CCN(CCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)C=C1Cl", "label": -1}, "2645": {"pro_comp_id": 1869, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AR_P10275_203_lig_smina_out.mol2", "protac_path": "1869_protac.mol2", "smiles": "N#CC1=CC=C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=CC=C(N3CCN(CCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)C=C1Cl", "label": -1}, "2646": {"pro_comp_id": 1870, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AR_P10275_203_lig_smina_out.mol2", "protac_path": "1870_protac.mol2", "smiles": "N#CC1=CC=C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=CN=C(N3CCN(CCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)N=C2)C=C1Cl", "label": -1}, "2647": {"pro_comp_id": 1871, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AR_P10275_203_lig_smina_out.mol2", "protac_path": "1871_protac.mol2", "smiles": "N#CC1=CC=C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=CN=C(N3CCN(CCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)N=C2)C=C1Cl", "label": -1}, "2648": {"pro_comp_id": 1872, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AR_P10275_203_lig_smina_out.mol2", "protac_path": "1872_protac.mol2", "smiles": "N#CC1=CC=C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=CN=C(N3CCN(CCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)N=C2)C=C1Cl", "label": -1}, "2649": {"pro_comp_id": 1873, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AR_P10275_203_lig_smina_out.mol2", "protac_path": "1873_protac.mol2", "smiles": "N#CC1=CC=C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=CN=C(N3CCN(CCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)N=C2)C=C1Cl", "label": -1}, "2650": {"pro_comp_id": 1874, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AR_P10275_203_lig_smina_out.mol2", "protac_path": "1874_protac.mol2", "smiles": "N#CC1=CC=C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=CN=C(N3CCN(CCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)N=C2)C=C1Cl", "label": -1}, "2651": {"pro_comp_id": 1875, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_203_lig_smina_out.mol2", "protac_path": "1875_protac.mol2", "smiles": "N#CC1=CC=C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=CN=C(N3CCN(CCCCCCNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)N=C2)C=C1Cl", "label": -1}, "2652": {"pro_comp_id": 1876, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_203_lig_smina_out.mol2", "protac_path": "1876_protac.mol2", "smiles": "N#CC1=CC=C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=CN=C(N3CCN(CCCCCNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)N=C2)C=C1Cl", "label": -1}, "2653": {"pro_comp_id": 1877, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_203_lig_smina_out.mol2", "protac_path": "1877_protac.mol2", "smiles": "N#CC1=CC=C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=CN=C(N3CCN(CCCCNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)N=C2)C=C1Cl", "label": -1}, "2654": {"pro_comp_id": 1878, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_203_lig_smina_out.mol2", "protac_path": "1878_protac.mol2", "smiles": "N#CC1=CC=C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=CN=C(N3CCN(CCCNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)N=C2)C=C1Cl", "label": -1}, "2655": {"pro_comp_id": 1879, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_203_lig_smina_out.mol2", "protac_path": "1879_protac.mol2", "smiles": "N#CC1=CC=C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=CN=C(N3CCN(CCCCCCCNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)N=C2)C=C1Cl", "label": -1}, "2656": {"pro_comp_id": 1880, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_203_lig_smina_out.mol2", "protac_path": "1880_protac.mol2", "smiles": "N#CC1=CC=C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2=CC=C(C#CC3CCN(C4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C=C2)C=C1Cl", "label": -1}, "2657": {"pro_comp_id": 1881, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_246_lig_smina_out.mol2", "protac_path": "1881_protac.mol2", "smiles": "C[C@@]12C[C@H](NC(=O)C3=CC=C(N4CCN(CCCCCCCCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)C[C@]1(C)C[C@@H](OC1=CC=C(C#N)C(Cl)=C1)C2", "label": -1}, "2658": {"pro_comp_id": 1882, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_246_lig_smina_out.mol2", "protac_path": "1882_protac.mol2", "smiles": "C[C@@]12C[C@H](NC(=O)C3=CC=C(N4CCN(CCCCCCCCCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)C[C@]1(C)C[C@@H](OC1=CC=C(C#N)C(Cl)=C1)C2", "label": -1}, "2659": {"pro_comp_id": 1883, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_246_lig_smina_out.mol2", "protac_path": "1883_protac.mol2", "smiles": "C[C@@]12C[C@H](NC(=O)C3=CC=C(N4CCN(CCCCCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)C[C@]1(C)C[C@@H](OC1=CC=C(C#N)C(Cl)=C1)C2", "label": -1}, "2660": {"pro_comp_id": 1884, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_246_lig_smina_out.mol2", "protac_path": "1884_protac.mol2", "smiles": "C[C@@]12C[C@H](NC(=O)C3=CC=C(N4CCN(CCCCCCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)C[C@]1(C)C[C@@H](OC1=CC=C(C#N)C(Cl)=C1)C2", "label": -1}, "2661": {"pro_comp_id": 1885, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_246_lig_smina_out.mol2", "protac_path": "1885_protac.mol2", "smiles": "C[C@@]12C[C@H](NC(=O)C3=CC=C(N4CCN(CCCCCCCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)C[C@]1(C)C[C@@H](OC1=CC=C(C#N)C(Cl)=C1)C2", "label": -1}, "2662": {"pro_comp_id": 1886, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_25_lig_smina_out.mol2", "war_path": "AR_P10275_203_lig_smina_out.mol2", "protac_path": "1886_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](CC(=O)NCCCCCCCCCN3CCN(C4=CC=C(C(=O)N5[C@H]6CC[C@@H]5C[C@H](OC5=CC=C(C#N)C(Cl)=C5)C6)C=C4)CC3)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2663": {"pro_comp_id": 1887, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_25_lig_smina_out.mol2", "war_path": "AR_P10275_203_lig_smina_out.mol2", "protac_path": "1887_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](CC(=O)NCCCCCCCCN3CCN(C4=CC=C(C(=O)N5[C@H]6CC[C@@H]5C[C@H](OC5=CC=C(C#N)C(Cl)=C5)C6)C=C4)CC3)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2664": {"pro_comp_id": 1888, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_25_lig_smina_out.mol2", "war_path": "AR_P10275_203_lig_smina_out.mol2", "protac_path": "1888_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](CC(=O)NCCCCCCCN3CCN(C4=CC=C(C(=O)N5[C@H]6CC[C@@H]5C[C@H](OC5=CC=C(C#N)C(Cl)=C5)C6)C=C4)CC3)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2665": {"pro_comp_id": 1889, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_203_lig_smina_out.mol2", "protac_path": "1889_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCN3CCN(C4=CC=C(C(=O)N5[C@H]6CC[C@@H]5C[C@H](OC5=CC=C(C#N)C(Cl)=C5)C6)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2666": {"pro_comp_id": 1890, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_203_lig_smina_out.mol2", "protac_path": "1890_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CN3CCN(C4=CC=C(C(=O)N5[C@H]6CC[C@@H]5C[C@H](OC5=CC=C(C#N)C(Cl)=C5)C6)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2667": {"pro_comp_id": 1891, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_203_lig_smina_out.mol2", "protac_path": "1891_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCN3CCN(C4=CC=C(C(=O)N5[C@H]6CC[C@@H]5C[C@H](OC5=CC=C(C#N)C(Cl)=C5)C6)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2668": {"pro_comp_id": 1892, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AR_P10275_203_lig_smina_out.mol2", "protac_path": "1892_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCN3CCN(C4=CC=C(C(=O)N5[C@H]6CC[C@@H]5C[C@H](OC5=CC=C(C#N)C(Cl)=C5)C6)N=N4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2669": {"pro_comp_id": 1893, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AR_P10275_203_lig_smina_out.mol2", "protac_path": "1893_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCN3CCN(C4=CC=C(C(=O)N5[C@H]6CC[C@@H]5C[C@H](OC5=CC=C(C#N)C(Cl)=C5)C6)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2670": {"pro_comp_id": 1894, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AR_P10275_203_lig_smina_out.mol2", "protac_path": "1894_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCN3CCN(C4=CC=C(C(=O)N5[C@H]6CC[C@@H]5C[C@H](OC5=CC=C(C#N)C(Cl)=C5)C6)C=N4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2671": {"pro_comp_id": 1895, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AR_P10275_203_lig_smina_out.mol2", "protac_path": "1895_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCN3CCN(C4=CN=C(C(=O)N5[C@H]6CC[C@@H]5C[C@H](OC5=CC=C(C#N)C(Cl)=C5)C6)C=N4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2672": {"pro_comp_id": 1896, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AR_P10275_203_lig_smina_out.mol2", "protac_path": "1896_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCN3CCN(C4=NC=C(C(=O)N5[C@H]6CC[C@@H]5C[C@H](OC5=CC=C(C#N)C(Cl)=C5)C6)C=N4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2673": {"pro_comp_id": 1897, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AR_P10275_203_lig_smina_out.mol2", "protac_path": "1897_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCN3CCN(C4=CC=C(C(=O)N5[C@H]6CC[C@@H]5C[C@H](OC5=CC=C(C#N)C(Cl)=C5)C6)N=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2674": {"pro_comp_id": 1898, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_259_lig_smina_out.mol2", "protac_path": "1898_protac.mol2", "smiles": "COC1=C(C(=O)NCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)SC(C2=CC=NC(NC(=O)C3CC3)=C2)=N1", "label": -1}, "2675": {"pro_comp_id": 1899, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_259_lig_smina_out.mol2", "protac_path": "1899_protac.mol2", "smiles": "COC1=C(C(=O)NCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)SC(C2=CC=NC(NC(=O)C3CC3)=C2)=N1", "label": -1}, "2676": {"pro_comp_id": 1900, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_259_lig_smina_out.mol2", "protac_path": "1900_protac.mol2", "smiles": "COC1=C(C(=O)NCCCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)SC(C2=CC=NC(NC(=O)C3CC3)=C2)=N1", "label": -1}, "2677": {"pro_comp_id": 1901, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_259_lig_smina_out.mol2", "protac_path": "1901_protac.mol2", "smiles": "CNC(=O)C1=C(OCCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)N=C(C2=CC=NC(NC(=O)C3CC3)=C2)S1", "label": -1}, "2678": {"pro_comp_id": 1902, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_259_lig_smina_out.mol2", "protac_path": "1902_protac.mol2", "smiles": "CNC(=O)C1=C(OCCCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)N=C(C2=CC=NC(NC(=O)C3CC3)=C2)S1", "label": -1}, "2679": {"pro_comp_id": 1903, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_259_lig_smina_out.mol2", "protac_path": "1903_protac.mol2", "smiles": "CNC(=O)C1=C(OCCOCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)N=C(C2=CC=NC(NC(=O)C3CC3)=C2)S1", "label": -1}, "2680": {"pro_comp_id": 1904, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_259_lig_smina_out.mol2", "protac_path": "1904_protac.mol2", "smiles": "NC(=O)C1=C(OCCOCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)N=C(C2=CC=NC(NC(=O)C3CC3)=C2)S1", "label": -1}, "2681": {"pro_comp_id": 1905, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_259_lig_smina_out.mol2", "protac_path": "1905_protac.mol2", "smiles": "NC(=O)C1=C(OCCC#CC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)N=C(C2=CC=NC(NC(=O)C3CC3)=C2)S1", "label": -1}, "2682": {"pro_comp_id": 1906, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_259_lig_smina_out.mol2", "protac_path": "1906_protac.mol2", "smiles": "CNC(=O)C1=C(OCCCC#CC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)N=C(C2=CC=NC(NC(=O)C3CC3)=C2)S1", "label": -1}, "2683": {"pro_comp_id": 1907, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_259_lig_smina_out.mol2", "protac_path": "1907_protac.mol2", "smiles": "NC(=O)C1=C(OCCOCC#CC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)N=C(C2=CC=NC(NC(=O)C3CC3)=C2)S1", "label": -1}, "2684": {"pro_comp_id": 1908, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_259_lig_smina_out.mol2", "protac_path": "1908_protac.mol2", "smiles": "CNC(=O)C1=C(OCCOCC#CC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)N=C(C2=CC=NC(NC(=O)C3CC3)=C2)S1", "label": -1}, "2685": {"pro_comp_id": 1909, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_259_lig_smina_out.mol2", "protac_path": "1909_protac.mol2", "smiles": "CNC(=O)C1=C(OCCCCCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=C(C2=CC=NC(NC(=O)C3CC3)=C2)S1", "label": -1}, "2686": {"pro_comp_id": 1910, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_259_lig_smina_out.mol2", "protac_path": "1910_protac.mol2", "smiles": "CNC(=O)C1=C(OCCCCCCCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=C(C2=CC=NC(NC(=O)C3CC3)=C2)S1", "label": -1}, "2687": {"pro_comp_id": 1911, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_259_lig_smina_out.mol2", "protac_path": "1911_protac.mol2", "smiles": "CNC(=O)C1=C(OCCCCCCCCCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=C(C2=CC=NC(NC(=O)C3CC3)=C2)S1", "label": -1}, "2688": {"pro_comp_id": 1912, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_259_lig_smina_out.mol2", "protac_path": "1912_protac.mol2", "smiles": "CNC(=O)C1=C(OCCCCCCCCCCCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=C(C2=CC=NC(NC(=O)C3CC3)=C2)S1", "label": -1}, "2689": {"pro_comp_id": 1913, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_259_lig_smina_out.mol2", "protac_path": "1913_protac.mol2", "smiles": "CNC(=O)C1=C(OCCOCCOCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=C(C2=CC=NC(NC(=O)C3CC3)=C2)S1", "label": -1}, "2690": {"pro_comp_id": 1914, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_259_lig_smina_out.mol2", "protac_path": "1914_protac.mol2", "smiles": "CNC(=O)C1=C(OCCOCCOCCOCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=C(C2=CC=NC(NC(=O)C3CC3)=C2)S1", "label": -1}, "2691": {"pro_comp_id": 1915, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_259_lig_smina_out.mol2", "protac_path": "1915_protac.mol2", "smiles": "CNC(=O)C1=C(OCCOCCOCCOCCOCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=C(C2=CC=NC(NC(=O)C3CC3)=C2)S1", "label": -1}, "2692": {"pro_comp_id": 1916, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_259_lig_smina_out.mol2", "protac_path": "1916_protac.mol2", "smiles": "CNC(=O)C1=C(OCCCCCCCCN2C=C(COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)N=C(C2=CC=NC(NC(=O)C3CC3)=C2)S1", "label": -1}, "2693": {"pro_comp_id": 1917, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_259_lig_smina_out.mol2", "protac_path": "1917_protac.mol2", "smiles": "CNC(=O)C1=C(OCCOCCOCCN2C=C(COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)N=C(C2=CC=NC(NC(=O)C3CC3)=C2)S1", "label": -1}, "2694": {"pro_comp_id": 1918, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_259_lig_smina_out.mol2", "protac_path": "1918_protac.mol2", "smiles": "CNC(=O)C1=C(OCCOCCOCCOCCN2C=C(COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)N=C(C2=CC=NC(NC(=O)C3CC3)=C2)S1", "label": -1}, "2695": {"pro_comp_id": 1919, "tar_path": "EEF2K_O00418.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EEF2K_O00418_206_lig_smina_out.mol2", "protac_path": "1919_protac.mol2", "smiles": "NC(=O)C1=CC2=C(N=C1N)N(C1CC1)C(=O)N(CC(=O)NCCNC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)C2=O", "label": -1}, "2696": {"pro_comp_id": 1920, "tar_path": "EEF2K_O00418.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EEF2K_O00418_206_lig_smina_out.mol2", "protac_path": "1920_protac.mol2", "smiles": "NC(=O)C1=CC2=C(N=C1N)N(C1CC1)C(=O)N(CC(=O)NCCCNC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)C2=O", "label": -1}, "2697": {"pro_comp_id": 1921, "tar_path": "EEF2K_O00418.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EEF2K_O00418_206_lig_smina_out.mol2", "protac_path": "1921_protac.mol2", "smiles": "NC(=O)C1=CC2=C(N=C1N)N(C1CC1)C(=O)N(CC(=O)NCCCCNC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)C2=O", "label": -1}, "2698": {"pro_comp_id": 1922, "tar_path": "EEF2K_O00418.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EEF2K_O00418_206_lig_smina_out.mol2", "protac_path": "1922_protac.mol2", "smiles": "NC(=O)C1=CC2=C(N=C1N)N(C1CC1)C(=O)N(CC(=O)NCCCCCNC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)C2=O", "label": -1}, "2699": {"pro_comp_id": 1923, "tar_path": "EEF2K_O00418.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EEF2K_O00418_206_lig_smina_out.mol2", "protac_path": "1923_protac.mol2", "smiles": "NC(=O)C1=CC2=C(N=C1N)N(C1CC1)C(=O)N(CC(=O)NCCCCCCNC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)C2=O", "label": -1}, "2700": {"pro_comp_id": 1924, "tar_path": "EEF2K_O00418.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EEF2K_O00418_206_lig_smina_out.mol2", "protac_path": "1924_protac.mol2", "smiles": "NC(=O)C1=CC2=C(N=C1N)N(C1CC1)C(=O)N(CC(=O)NCCOCCNC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)C2=O", "label": -1}, "2701": {"pro_comp_id": 1925, "tar_path": "EEF2K_O00418.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EEF2K_O00418_206_lig_smina_out.mol2", "protac_path": "1925_protac.mol2", "smiles": "CCN1C(=O)N(CC(=O)NCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C(=O)C2=CC(C(N)=O)=C(N)N=C21", "label": -1}, "2702": {"pro_comp_id": 1926, "tar_path": "EEF2K_O00418.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EEF2K_O00418_206_lig_smina_out.mol2", "protac_path": "1926_protac.mol2", "smiles": "CCN1C(=O)N(CC(=O)NCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C(=O)C2=CC(C(N)=O)=C(N)N=C21", "label": -1}, "2703": {"pro_comp_id": 1927, "tar_path": "EEF2K_O00418.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EEF2K_O00418_206_lig_smina_out.mol2", "protac_path": "1927_protac.mol2", "smiles": "CCN1C(=O)N(CC(=O)NCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C(=O)C2=CC(C(N)=O)=C(N)N=C21", "label": -1}, "2704": {"pro_comp_id": 1928, "tar_path": "EEF2K_O00418.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EEF2K_O00418_206_lig_smina_out.mol2", "protac_path": "1928_protac.mol2", "smiles": "CCN1C(=O)N(CC(=O)NCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C(=O)C2=CC(C(N)=O)=C(N)N=C21", "label": -1}, "2705": {"pro_comp_id": 1929, "tar_path": "EEF2K_O00418.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EEF2K_O00418_206_lig_smina_out.mol2", "protac_path": "1929_protac.mol2", "smiles": "CCN1C(=O)N(CC(=O)NCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C(=O)C2=CC(C(N)=O)=C(N)N=C21", "label": -1}, "2706": {"pro_comp_id": 1930, "tar_path": "EEF2K_O00418.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EEF2K_O00418_206_lig_smina_out.mol2", "protac_path": "1930_protac.mol2", "smiles": "CCN1C(=O)N(CC(=O)NCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C(=O)C2=CC(C(N)=O)=C(N)N=C21", "label": -1}, "2707": {"pro_comp_id": 1931, "tar_path": "EEF2K_O00418.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EEF2K_O00418_206_lig_smina_out.mol2", "protac_path": "1931_protac.mol2", "smiles": "NC(=O)C1=CC2=C(N=C1N)N(C1CC1)C(=O)N(CC(=O)NCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)C2=O", "label": -1}, "2708": {"pro_comp_id": 1932, "tar_path": "EEF2K_O00418.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EEF2K_O00418_206_lig_smina_out.mol2", "protac_path": "1932_protac.mol2", "smiles": "NC(=O)C1=CC2=C(N=C1N)N(C1CC1)C(=O)N(CC(=O)NCCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)C2=O", "label": -1}, "2709": {"pro_comp_id": 1933, "tar_path": "EEF2K_O00418.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EEF2K_O00418_206_lig_smina_out.mol2", "protac_path": "1933_protac.mol2", "smiles": "NC(=O)C1=CC2=C(N=C1N)N(C1CC1)C(=O)N(CC(=O)NCCCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)C2=O", "label": -1}, "2710": {"pro_comp_id": 1934, "tar_path": "EEF2K_O00418.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EEF2K_O00418_206_lig_smina_out.mol2", "protac_path": "1934_protac.mol2", "smiles": "NC(=O)C1=CC2=C(N=C1N)N(C1CC1)C(=O)N(CC(=O)NCCCCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)C2=O", "label": -1}, "2711": {"pro_comp_id": 1935, "tar_path": "EEF2K_O00418.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EEF2K_O00418_206_lig_smina_out.mol2", "protac_path": "1935_protac.mol2", "smiles": "NC(=O)C1=CC2=C(N=C1N)N(C1CC1)C(=O)N(CC(=O)NCCCCCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)C2=O", "label": -1}, "2712": {"pro_comp_id": 1936, "tar_path": "EEF2K_O00418.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EEF2K_O00418_206_lig_smina_out.mol2", "protac_path": "1936_protac.mol2", "smiles": "NC(=O)C1=CC2=C(N=C1N)N(C1CC1)C(=O)N(CC(=O)NCCOCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)C2=O", "label": -1}, "2713": {"pro_comp_id": 1937, "tar_path": "EEF2K_O00418.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EEF2K_O00418_206_lig_smina_out.mol2", "protac_path": "1937_protac.mol2", "smiles": "CCN1C(=O)N(CC(=O)NCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C(=O)C2=CC(C(N)=O)=C(N)N=C21", "label": -1}, "2714": {"pro_comp_id": 1938, "tar_path": "EEF2K_O00418.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EEF2K_O00418_206_lig_smina_out.mol2", "protac_path": "1938_protac.mol2", "smiles": "CCN1C(=O)N(CC(=O)NCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C(=O)C2=CC(C(N)=O)=C(N)N=C21", "label": -1}, "2715": {"pro_comp_id": 1939, "tar_path": "EEF2K_O00418.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EEF2K_O00418_206_lig_smina_out.mol2", "protac_path": "1939_protac.mol2", "smiles": "CCN1C(=O)N(CC(=O)NCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C(=O)C2=CC(C(N)=O)=C(N)N=C21", "label": -1}, "2716": {"pro_comp_id": 1940, "tar_path": "EEF2K_O00418.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EEF2K_O00418_206_lig_smina_out.mol2", "protac_path": "1940_protac.mol2", "smiles": "CCN1C(=O)N(CC(=O)NCCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C(=O)C2=CC(C(N)=O)=C(N)N=C21", "label": -1}, "2717": {"pro_comp_id": 1941, "tar_path": "EEF2K_O00418.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EEF2K_O00418_206_lig_smina_out.mol2", "protac_path": "1941_protac.mol2", "smiles": "CCN1C(=O)N(CC(=O)NCCCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C(=O)C2=CC(C(N)=O)=C(N)N=C21", "label": -1}, "2718": {"pro_comp_id": 1942, "tar_path": "EEF2K_O00418.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EEF2K_O00418_206_lig_smina_out.mol2", "protac_path": "1942_protac.mol2", "smiles": "CCN1C(=O)N(CC(=O)NCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C(=O)C2=CC(C(N)=O)=C(N)N=C21", "label": 0}, "2719": {"pro_comp_id": 1943, "tar_path": "VEGFR-2_P35968.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "VEGFR-2_P35968_218_lig_smina_out.mol2", "protac_path": "1943_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCC(=O)N3N=C(N)C4=C(C5=CC=CC(NC(=O)NC6=CC=CC(C(C)C)=C6)=C5)C=CC=C43)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2720": {"pro_comp_id": 1944, "tar_path": "VEGFR-2_P35968.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "VEGFR-2_P35968_218_lig_smina_out.mol2", "protac_path": "1944_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCC(=O)N3N=C(N)C4=C(C5=CC=CC(NC(=O)NC6=CC=CC(C(C)C)=C6)=C5)C=CC=C43)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2721": {"pro_comp_id": 1945, "tar_path": "VEGFR-2_P35968.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "VEGFR-2_P35968_218_lig_smina_out.mol2", "protac_path": "1945_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N3N=C(N)C4=C(C5=CC=CC(NC(=O)NC6=CC=CC(C(C)C)=C6)=C5)C=CC=C43)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2722": {"pro_comp_id": 1946, "tar_path": "VEGFR-2_P35968.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "VEGFR-2_P35968_225_lig_smina_out.mol2", "protac_path": "1946_protac.mol2", "smiles": "CC1=CC=C(F)C(NC(=O)NC2=CC=C(C3=CC=CC4=C3C(N)=NN4C(=O)CCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C=C2)=C1", "label": -1}, "2723": {"pro_comp_id": 1947, "tar_path": "VEGFR-2_P35968.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "VEGFR-2_P35968_225_lig_smina_out.mol2", "protac_path": "1947_protac.mol2", "smiles": "CC1=CC=C(F)C(NC(=O)NC2=CC=C(C3=CC=CC4=C3C(N)=NN4C(=O)CCCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C=C2)=C1", "label": -1}, "2724": {"pro_comp_id": 1948, "tar_path": "VEGFR-2_P35968.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "VEGFR-2_P35968_225_lig_smina_out.mol2", "protac_path": "1948_protac.mol2", "smiles": "CC1=CC=C(F)C(NC(=O)NC2=CC=C(C3=CC=CC4=C3C(N)=NN4C(=O)CCCCCCCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C=C2)=C1", "label": -1}, "2725": {"pro_comp_id": 1949, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK2_P24941_233_lig_smina_out.mol2", "protac_path": "1949_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2726": {"pro_comp_id": 1949, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_233_lig_smina_out.mol2", "protac_path": "1949_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2727": {"pro_comp_id": 1949, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_233_lig_smina_out.mol2", "protac_path": "1949_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2728": {"pro_comp_id": 1950, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK2_P24941_233_lig_smina_out.mol2", "protac_path": "1950_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2729": {"pro_comp_id": 1950, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_233_lig_smina_out.mol2", "protac_path": "1950_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2730": {"pro_comp_id": 1950, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_233_lig_smina_out.mol2", "protac_path": "1950_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2731": {"pro_comp_id": 1951, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK2_P24941_233_lig_smina_out.mol2", "protac_path": "1951_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2732": {"pro_comp_id": 1951, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_233_lig_smina_out.mol2", "protac_path": "1951_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2733": {"pro_comp_id": 1951, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_233_lig_smina_out.mol2", "protac_path": "1951_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2734": {"pro_comp_id": 1952, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK2_P24941_233_lig_smina_out.mol2", "protac_path": "1952_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2735": {"pro_comp_id": 1952, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_233_lig_smina_out.mol2", "protac_path": "1952_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2736": {"pro_comp_id": 1952, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_233_lig_smina_out.mol2", "protac_path": "1952_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2737": {"pro_comp_id": 1953, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK2_P24941_233_lig_smina_out.mol2", "protac_path": "1953_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2738": {"pro_comp_id": 1953, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_233_lig_smina_out.mol2", "protac_path": "1953_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2739": {"pro_comp_id": 1953, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_233_lig_smina_out.mol2", "protac_path": "1953_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2740": {"pro_comp_id": 1954, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK2_P24941_233_lig_smina_out.mol2", "protac_path": "1954_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCCCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2741": {"pro_comp_id": 1954, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK4_P11802_233_lig_smina_out.mol2", "protac_path": "1954_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCCCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2742": {"pro_comp_id": 1954, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK6_Q00534_233_lig_smina_out.mol2", "protac_path": "1954_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCCCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2743": {"pro_comp_id": 1955, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK2_P24941_233_lig_smina_out.mol2", "protac_path": "1955_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCCCCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2744": {"pro_comp_id": 1955, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK4_P11802_233_lig_smina_out.mol2", "protac_path": "1955_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCCCCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2745": {"pro_comp_id": 1955, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK6_Q00534_233_lig_smina_out.mol2", "protac_path": "1955_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCCCCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2746": {"pro_comp_id": 1956, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK2_P24941_233_lig_smina_out.mol2", "protac_path": "1956_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCCCCCCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2747": {"pro_comp_id": 1956, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK4_P11802_233_lig_smina_out.mol2", "protac_path": "1956_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCCCCCCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2748": {"pro_comp_id": 1956, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK6_Q00534_233_lig_smina_out.mol2", "protac_path": "1956_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCCCCCCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2749": {"pro_comp_id": 1957, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK2_P24941_233_lig_smina_out.mol2", "protac_path": "1957_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2750": {"pro_comp_id": 1957, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK4_P11802_233_lig_smina_out.mol2", "protac_path": "1957_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2751": {"pro_comp_id": 1957, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK6_Q00534_233_lig_smina_out.mol2", "protac_path": "1957_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2752": {"pro_comp_id": 1958, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK2_P24941_233_lig_smina_out.mol2", "protac_path": "1958_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2753": {"pro_comp_id": 1958, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK4_P11802_233_lig_smina_out.mol2", "protac_path": "1958_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2754": {"pro_comp_id": 1958, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK6_Q00534_233_lig_smina_out.mol2", "protac_path": "1958_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2755": {"pro_comp_id": 1959, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK2_P24941_233_lig_smina_out.mol2", "protac_path": "1959_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2756": {"pro_comp_id": 1959, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK4_P11802_233_lig_smina_out.mol2", "protac_path": "1959_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2757": {"pro_comp_id": 1959, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK6_Q00534_233_lig_smina_out.mol2", "protac_path": "1959_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2758": {"pro_comp_id": 1960, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK2_P24941_233_lig_smina_out.mol2", "protac_path": "1960_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2759": {"pro_comp_id": 1960, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK4_P11802_233_lig_smina_out.mol2", "protac_path": "1960_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2760": {"pro_comp_id": 1960, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK6_Q00534_233_lig_smina_out.mol2", "protac_path": "1960_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2761": {"pro_comp_id": 1961, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK2_P24941_233_lig_smina_out.mol2", "protac_path": "1961_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2762": {"pro_comp_id": 1961, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK4_P11802_233_lig_smina_out.mol2", "protac_path": "1961_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2763": {"pro_comp_id": 1961, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK6_Q00534_233_lig_smina_out.mol2", "protac_path": "1961_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2764": {"pro_comp_id": 1962, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK2_P24941_233_lig_smina_out.mol2", "protac_path": "1962_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCCCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2765": {"pro_comp_id": 1962, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK4_P11802_233_lig_smina_out.mol2", "protac_path": "1962_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCCCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2766": {"pro_comp_id": 1962, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK6_Q00534_233_lig_smina_out.mol2", "protac_path": "1962_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCCCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2767": {"pro_comp_id": 1963, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK2_P24941_233_lig_smina_out.mol2", "protac_path": "1963_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(NC(=O)CCC#CC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C=C3)=NC=C12", "label": -1}, "2768": {"pro_comp_id": 1963, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK4_P11802_233_lig_smina_out.mol2", "protac_path": "1963_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(NC(=O)CCC#CC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C=C3)=NC=C12", "label": -1}, "2769": {"pro_comp_id": 1963, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK6_Q00534_233_lig_smina_out.mol2", "protac_path": "1963_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(NC(=O)CCC#CC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C=C3)=NC=C12", "label": -1}, "2770": {"pro_comp_id": 1964, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK2_P24941_233_lig_smina_out.mol2", "protac_path": "1964_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(NC(=O)CCCC#CC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C=C3)=NC=C12", "label": -1}, "2771": {"pro_comp_id": 1964, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK4_P11802_233_lig_smina_out.mol2", "protac_path": "1964_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(NC(=O)CCCC#CC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C=C3)=NC=C12", "label": -1}, "2772": {"pro_comp_id": 1964, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK6_Q00534_233_lig_smina_out.mol2", "protac_path": "1964_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(NC(=O)CCCC#CC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C=C3)=NC=C12", "label": -1}, "2773": {"pro_comp_id": 1965, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK2_P24941_233_lig_smina_out.mol2", "protac_path": "1965_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(NC(=O)CCCCC#CC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C=C3)=NC=C12", "label": -1}, "2774": {"pro_comp_id": 1965, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK4_P11802_233_lig_smina_out.mol2", "protac_path": "1965_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(NC(=O)CCCCC#CC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C=C3)=NC=C12", "label": -1}, "2775": {"pro_comp_id": 1965, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK6_Q00534_233_lig_smina_out.mol2", "protac_path": "1965_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(NC(=O)CCCCC#CC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C=C3)=NC=C12", "label": -1}, "2776": {"pro_comp_id": 1966, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK2_P24941_233_lig_smina_out.mol2", "protac_path": "1966_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCOCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2777": {"pro_comp_id": 1966, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK4_P11802_233_lig_smina_out.mol2", "protac_path": "1966_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCOCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2778": {"pro_comp_id": 1966, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK6_Q00534_233_lig_smina_out.mol2", "protac_path": "1966_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCOCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2779": {"pro_comp_id": 1967, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK2_P24941_233_lig_smina_out.mol2", "protac_path": "1967_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCOCCOCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2780": {"pro_comp_id": 1967, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK4_P11802_233_lig_smina_out.mol2", "protac_path": "1967_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCOCCOCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2781": {"pro_comp_id": 1967, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK6_Q00534_233_lig_smina_out.mol2", "protac_path": "1967_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCOCCOCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2782": {"pro_comp_id": 1968, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK2_P24941_233_lig_smina_out.mol2", "protac_path": "1968_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2783": {"pro_comp_id": 1968, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_233_lig_smina_out.mol2", "protac_path": "1968_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2784": {"pro_comp_id": 1968, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_233_lig_smina_out.mol2", "protac_path": "1968_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2785": {"pro_comp_id": 1969, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK2_P24941_233_lig_smina_out.mol2", "protac_path": "1969_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2786": {"pro_comp_id": 1969, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_233_lig_smina_out.mol2", "protac_path": "1969_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2787": {"pro_comp_id": 1969, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_233_lig_smina_out.mol2", "protac_path": "1969_protac.mol2", "smiles": "CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12", "label": -1}, "2788": {"pro_comp_id": 1970, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "1970_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCC(=O)NCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "2789": {"pro_comp_id": 1971, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "1971_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCC(=O)NCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "2790": {"pro_comp_id": 1972, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "1972_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCC(=O)NCCCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "2791": {"pro_comp_id": 1973, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "1973_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCC(=O)NCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "2792": {"pro_comp_id": 1974, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "1974_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCC(=O)NCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "2793": {"pro_comp_id": 1975, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "1975_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCC(=O)NCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "2794": {"pro_comp_id": 1976, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "1976_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCC(=O)NCCOCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "2795": {"pro_comp_id": 1977, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "1977_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCC(=O)NCCCCNCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "2796": {"pro_comp_id": 1978, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "1978_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCC(=O)NCCCCCCNCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "2797": {"pro_comp_id": 1979, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "1979_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCC(=O)NCCCCCCCCNCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "2798": {"pro_comp_id": 1980, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "1980_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCC(=O)NCCOCCNCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "2799": {"pro_comp_id": 1981, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "1981_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCC(=O)NCCOCCOCCNCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "2800": {"pro_comp_id": 1982, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "1982_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCC(=O)NCCOCCOCCOCCNCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "2801": {"pro_comp_id": 1983, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "1983_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCC(=O)NCCCCNCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "2802": {"pro_comp_id": 1984, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "1984_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCC(=O)NCCCCCCNCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "2803": {"pro_comp_id": 1985, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "1985_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCC(=O)NCCOCCNCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "2804": {"pro_comp_id": 1986, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "1986_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCC(=O)NCCOCCOCCNCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "2805": {"pro_comp_id": 1987, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "1987_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCC(=O)NCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "2806": {"pro_comp_id": 1988, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "1988_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCC(=O)NCCCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "2807": {"pro_comp_id": 1989, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "1989_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCC(=O)NCCCCCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "2808": {"pro_comp_id": 1990, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "1990_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCC(=O)NCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "2809": {"pro_comp_id": 1991, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "1991_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCC(=O)NCCOCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "2810": {"pro_comp_id": 1992, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "1992_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCC(=O)NCCOCCOCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "2811": {"pro_comp_id": 1993, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "EGFR_P00533_211_lig_smina_out.mol2", "protac_path": "1993_protac.mol2", "smiles": "O=C1CCC(N2CC3=C(NC(=O)CCCCCCN4CCN(C5=CC=C(NC6=NC=C7N=C(NC8=CC=CC=C8)N(C8CCCC8)C7=N6)C=C5)CC4)C=CC=C3C2=O)C(=O)N1", "label": -1}, "2812": {"pro_comp_id": 1993, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "EGFR_P00533_211_lig_smina_out.mol2", "protac_path": "1993_protac.mol2", "smiles": "O=C1CCC(N2CC3=C(NC(=O)CCCCCCN4CCN(C5=CC=C(NC6=NC=C7N=C(NC8=CC=CC=C8)N(C8CCCC8)C7=N6)C=C5)CC4)C=CC=C3C2=O)C(=O)N1", "label": -1}, "2813": {"pro_comp_id": 1993, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "EGFR_P00533_211_lig_smina_out.mol2", "protac_path": "1993_protac.mol2", "smiles": "O=C1CCC(N2CC3=C(NC(=O)CCCCCCN4CCN(C5=CC=C(NC6=NC=C7N=C(NC8=CC=CC=C8)N(C8CCCC8)C7=N6)C=C5)CC4)C=CC=C3C2=O)C(=O)N1", "label": -1}, "2814": {"pro_comp_id": 1994, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "EGFR_P00533_211_lig_smina_out.mol2", "protac_path": "1994_protac.mol2", "smiles": "O=C1CCC(N2CC3=C(NC(=O)CCCCCCCN4CCN(C5=CC=C(NC6=NC=C7N=C(NC8=CC=CC=C8)N(C8CCCC8)C7=N6)C=C5)CC4)C=CC=C3C2=O)C(=O)N1", "label": -1}, "2815": {"pro_comp_id": 1994, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "EGFR_P00533_211_lig_smina_out.mol2", "protac_path": "1994_protac.mol2", "smiles": "O=C1CCC(N2CC3=C(NC(=O)CCCCCCCN4CCN(C5=CC=C(NC6=NC=C7N=C(NC8=CC=CC=C8)N(C8CCCC8)C7=N6)C=C5)CC4)C=CC=C3C2=O)C(=O)N1", "label": -1}, "2816": {"pro_comp_id": 1994, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "EGFR_P00533_211_lig_smina_out.mol2", "protac_path": "1994_protac.mol2", "smiles": "O=C1CCC(N2CC3=C(NC(=O)CCCCCCCN4CCN(C5=CC=C(NC6=NC=C7N=C(NC8=CC=CC=C8)N(C8CCCC8)C7=N6)C=C5)CC4)C=CC=C3C2=O)C(=O)N1", "label": -1}, "2817": {"pro_comp_id": 1995, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_211_lig_smina_out.mol2", "protac_path": "1995_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCN3CCN(C4=CC=C(NC5=NC=C6N=C(NC7=CC=CC=C7)N(C7CCCC7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "2818": {"pro_comp_id": 1995, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_211_lig_smina_out.mol2", "protac_path": "1995_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCN3CCN(C4=CC=C(NC5=NC=C6N=C(NC7=CC=CC=C7)N(C7CCCC7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "2819": {"pro_comp_id": 1995, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_211_lig_smina_out.mol2", "protac_path": "1995_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCN3CCN(C4=CC=C(NC5=NC=C6N=C(NC7=CC=CC=C7)N(C7CCCC7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "2820": {"pro_comp_id": 1996, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_211_lig_smina_out.mol2", "protac_path": "1996_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCN3CCN(C4=CC=C(NC5=NC=C6N=C(NC7=CC=CC=C7)N(C7CCCC7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2821": {"pro_comp_id": 1996, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_211_lig_smina_out.mol2", "protac_path": "1996_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCN3CCN(C4=CC=C(NC5=NC=C6N=C(NC7=CC=CC=C7)N(C7CCCC7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "2822": {"pro_comp_id": 1996, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_211_lig_smina_out.mol2", "protac_path": "1996_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCN3CCN(C4=CC=C(NC5=NC=C6N=C(NC7=CC=CC=C7)N(C7CCCC7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "2823": {"pro_comp_id": 1997, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "EGFR_P00533_211_lig_smina_out.mol2", "protac_path": "1997_protac.mol2", "smiles": "CN(CCOCCOCCN1CCN(C2=CC=C(NC3=NC=C4N=C(NC5=CC=CC=C5)N(C5CCCC5)C4=N3)C=C2)CC1)CC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O", "label": -1}, "2824": {"pro_comp_id": 1997, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "EGFR_P00533_211_lig_smina_out.mol2", "protac_path": "1997_protac.mol2", "smiles": "CN(CCOCCOCCN1CCN(C2=CC=C(NC3=NC=C4N=C(NC5=CC=CC=C5)N(C5CCCC5)C4=N3)C=C2)CC1)CC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O", "label": -1}, "2825": {"pro_comp_id": 1997, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "EGFR_P00533_211_lig_smina_out.mol2", "protac_path": "1997_protac.mol2", "smiles": "CN(CCOCCOCCN1CCN(C2=CC=C(NC3=NC=C4N=C(NC5=CC=CC=C5)N(C5CCCC5)C4=N3)C=C2)CC1)CC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O", "label": -1}, "2826": {"pro_comp_id": 1998, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "EGFR_P00533_211_lig_smina_out.mol2", "protac_path": "1998_protac.mol2", "smiles": "CN(CCOCCOCCOCCN1CCN(C2=CC=C(NC3=NC=C4N=C(NC5=CC=CC=C5)N(C5CCCC5)C4=N3)C=C2)CC1)CC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O", "label": 1}, "2827": {"pro_comp_id": 1998, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "EGFR_P00533_211_lig_smina_out.mol2", "protac_path": "1998_protac.mol2", "smiles": "CN(CCOCCOCCOCCN1CCN(C2=CC=C(NC3=NC=C4N=C(NC5=CC=CC=C5)N(C5CCCC5)C4=N3)C=C2)CC1)CC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O", "label": 0}, "2828": {"pro_comp_id": 1998, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "EGFR_P00533_211_lig_smina_out.mol2", "protac_path": "1998_protac.mol2", "smiles": "CN(CCOCCOCCOCCN1CCN(C2=CC=C(NC3=NC=C4N=C(NC5=CC=CC=C5)N(C5CCCC5)C4=N3)C=C2)CC1)CC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O", "label": -1}, "2829": {"pro_comp_id": 1999, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "EGFR_P00533_211_lig_smina_out.mol2", "protac_path": "1999_protac.mol2", "smiles": "CN(CCOCCOCCOCCOCCN1CCN(C2=CC=C(NC3=NC=C4N=C(NC5=CC=CC=C5)N(C5CCCC5)C4=N3)C=C2)CC1)CC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O", "label": -1}, "2830": {"pro_comp_id": 1999, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "EGFR_P00533_211_lig_smina_out.mol2", "protac_path": "1999_protac.mol2", "smiles": "CN(CCOCCOCCOCCOCCN1CCN(C2=CC=C(NC3=NC=C4N=C(NC5=CC=CC=C5)N(C5CCCC5)C4=N3)C=C2)CC1)CC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O", "label": -1}, "2831": {"pro_comp_id": 1999, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "EGFR_P00533_211_lig_smina_out.mol2", "protac_path": "1999_protac.mol2", "smiles": "CN(CCOCCOCCOCCOCCN1CCN(C2=CC=C(NC3=NC=C4N=C(NC5=CC=CC=C5)N(C5CCCC5)C4=N3)C=C2)CC1)CC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O", "label": -1}, "2832": {"pro_comp_id": 2000, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_211_lig_smina_out.mol2", "protac_path": "2000_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCN3CCN(C4=CC=C(NC5=NC=C6N=C(NC7=CC=CC=C7)N(C7CCCC7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2833": {"pro_comp_id": 2000, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_211_lig_smina_out.mol2", "protac_path": "2000_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCN3CCN(C4=CC=C(NC5=NC=C6N=C(NC7=CC=CC=C7)N(C7CCCC7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2834": {"pro_comp_id": 2000, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_211_lig_smina_out.mol2", "protac_path": "2000_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCN3CCN(C4=CC=C(NC5=NC=C6N=C(NC7=CC=CC=C7)N(C7CCCC7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2835": {"pro_comp_id": 2001, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_211_lig_smina_out.mol2", "protac_path": "2001_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCOCCN3CCN(C4=CC=C(NC5=NC=C6N=C(NC7=CC=CC=C7)N(C7CCCC7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2836": {"pro_comp_id": 2001, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_211_lig_smina_out.mol2", "protac_path": "2001_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCOCCN3CCN(C4=CC=C(NC5=NC=C6N=C(NC7=CC=CC=C7)N(C7CCCC7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2837": {"pro_comp_id": 2001, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_211_lig_smina_out.mol2", "protac_path": "2001_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCOCCN3CCN(C4=CC=C(NC5=NC=C6N=C(NC7=CC=CC=C7)N(C7CCCC7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2838": {"pro_comp_id": 2002, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_211_lig_smina_out.mol2", "protac_path": "2002_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCOCCOCCN3CCN(C4=CC=C(NC5=NC=C6N=C(NC7=CC=CC=C7)N(C7CCCC7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2839": {"pro_comp_id": 2002, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_211_lig_smina_out.mol2", "protac_path": "2002_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCOCCOCCN3CCN(C4=CC=C(NC5=NC=C6N=C(NC7=CC=CC=C7)N(C7CCCC7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2840": {"pro_comp_id": 2002, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_211_lig_smina_out.mol2", "protac_path": "2002_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCOCCOCCN3CCN(C4=CC=C(NC5=NC=C6N=C(NC7=CC=CC=C7)N(C7CCCC7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2841": {"pro_comp_id": 2003, "tar_path": "CBP_Q92793.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CBP_Q92793_238_lig_smina_out.mol2", "protac_path": "2003_protac.mol2", "smiles": "CNC(=O)N1CCC2=C(C1)C(N1CCCC3=CC(C4=CN(C)N=C4)=C(C(F)F)C=C31)=NN2C1CCN(C(=O)CCOCCOCCOCCOCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CC1", "label": -1}, "2842": {"pro_comp_id": 2003, "tar_path": "EP300_Q09472.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EP300_Q09472_238_lig_smina_out.mol2", "protac_path": "2003_protac.mol2", "smiles": "CNC(=O)N1CCC2=C(C1)C(N1CCCC3=CC(C4=CN(C)N=C4)=C(C(F)F)C=C31)=NN2C1CCN(C(=O)CCOCCOCCOCCOCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CC1", "label": -1}, "2843": {"pro_comp_id": 2003, "tar_path": "CBP_Q92793.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CBP_Q92793_238_lig_smina_out.mol2", "protac_path": "2003_protac.mol2", "smiles": "CNC(=O)N1CCC2=C(C1)C(N1CCCC3=CC(C4=CN(C)N=C4)=C(C(F)F)C=C31)=NN2C1CCN(C(=O)CCOCCOCCOCCOCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CC1", "label": -1}, "2844": {"pro_comp_id": 2003, "tar_path": "EP300_Q09472.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EP300_Q09472_238_lig_smina_out.mol2", "protac_path": "2003_protac.mol2", "smiles": "CNC(=O)N1CCC2=C(C1)C(N1CCCC3=CC(C4=CN(C)N=C4)=C(C(F)F)C=C31)=NN2C1CCN(C(=O)CCOCCOCCOCCOCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CC1", "label": -1}, "2845": {"pro_comp_id": 2004, "tar_path": "IRAK4_Q9NWZ3.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IRAK4_Q9NWZ3_258_lig_smina_out.mol2", "protac_path": "2004_protac.mol2", "smiles": "CC(C)NC1=CC(N2C=CC3=CC(C#N)=CN=C32)=NC=C1C(=O)N[C@H]1CC[C@H](C(=O)NCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": 0}, "2846": {"pro_comp_id": 2005, "tar_path": "IRAK4_Q9NWZ3.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IRAK4_Q9NWZ3_258_lig_smina_out.mol2", "protac_path": "2005_protac.mol2", "smiles": "CC(C)NC1=CC(N2C=CC3=CC(C#N)=CN=C32)=NC=C1C(=O)N[C@H]1CC[C@H](C(=O)NCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": 0}, "2847": {"pro_comp_id": 2006, "tar_path": "IRAK4_Q9NWZ3.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IRAK4_Q9NWZ3_258_lig_smina_out.mol2", "protac_path": "2006_protac.mol2", "smiles": "CC(C)NC1=CC(N2C=CC3=CC(C#N)=CN=C32)=NC=C1C(=O)N[C@H]1CC[C@H](C(=O)NCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": 0}, "2848": {"pro_comp_id": 2007, "tar_path": "IRAK4_Q9NWZ3.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IRAK4_Q9NWZ3_258_lig_smina_out.mol2", "protac_path": "2007_protac.mol2", "smiles": "CC(C)NC1=CC(N2C=CC3=CC(C#N)=CN=C32)=NC=C1C(=O)N[C@H]1CC[C@H](C(=O)NCCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": 0}, "2849": {"pro_comp_id": 2008, "tar_path": "IRAK4_Q9NWZ3.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IRAK4_Q9NWZ3_258_lig_smina_out.mol2", "protac_path": "2008_protac.mol2", "smiles": "CC(C)NC1=CC(N2C=CC3=CC(C#N)=CN=C32)=NC=C1C(=O)N[C@H]1CC[C@H](C(=O)NCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": 0}, "2850": {"pro_comp_id": 2009, "tar_path": "IRAK4_Q9NWZ3.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IRAK4_Q9NWZ3_258_lig_smina_out.mol2", "protac_path": "2009_protac.mol2", "smiles": "CC(C)NC1=CC(N2C=CC3=CC(C#N)=CN=C32)=NC=C1C(=O)N[C@H]1CC[C@H](C(=O)NCCOCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": 0}, "2851": {"pro_comp_id": 2010, "tar_path": "IRAK4_Q9NWZ3.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IRAK4_Q9NWZ3_258_lig_smina_out.mol2", "protac_path": "2010_protac.mol2", "smiles": "CC(C)NC1=CC(N2C=CC3=CC(C#N)=CN=C32)=NC=C1C(=O)N[C@H]1CC[C@H](C(=O)NCCOCCOCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": 0}, "2852": {"pro_comp_id": 2011, "tar_path": "IRAK4_Q9NWZ3.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IRAK4_Q9NWZ3_258_lig_smina_out.mol2", "protac_path": "2011_protac.mol2", "smiles": "CC(C)NC1=CC(N2C=CC3=CC(C#N)=CN=C32)=NC=C1C(=O)N[C@H]1CC[C@H](C(=O)NCCOCCOCCOCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": 0}, "2853": {"pro_comp_id": 2012, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC3_O15379_257_lig_smina_out.mol2", "protac_path": "2012_protac.mol2", "smiles": "CCCNNC(=O)C1=CC=C(C2=CC=C(NC(=O)COCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)C=C1", "label": -1}, "2854": {"pro_comp_id": 2013, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC3_O15379_257_lig_smina_out.mol2", "protac_path": "2013_protac.mol2", "smiles": "CCCNNC(=O)C1=CC=C(C2=CC=C(NC(=O)COCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)C=C1", "label": -1}, "2855": {"pro_comp_id": 2014, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC3_O15379_257_lig_smina_out.mol2", "protac_path": "2014_protac.mol2", "smiles": "CCCNNC(=O)C1=CC=C(C2=CC=C(NC(=O)COCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)C=C1", "label": -1}, "2856": {"pro_comp_id": 2015, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "HDAC3_O15379_257_lig_smina_out.mol2", "protac_path": "2015_protac.mol2", "smiles": "CCCNNC(=O)C1=CC=C(C2=CC=C(NC(=O)CCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C=C2)C=C1", "label": -1}, "2857": {"pro_comp_id": 2016, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "HDAC3_O15379_257_lig_smina_out.mol2", "protac_path": "2016_protac.mol2", "smiles": "CCCNNC(=O)C1=CC=C(C2=CC=C(NC(=O)CCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C=C2)C=C1", "label": -1}, "2858": {"pro_comp_id": 2017, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "HDAC3_O15379_257_lig_smina_out.mol2", "protac_path": "2017_protac.mol2", "smiles": "CCCNNC(=O)C1=CC=C(C2=CC=C(NC(=O)CCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C=C2)C=C1", "label": 1}, "2859": {"pro_comp_id": 2018, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "HDAC3_O15379_257_lig_smina_out.mol2", "protac_path": "2018_protac.mol2", "smiles": "CCCNNC(=O)C1=CC=C(C2=CC=C(NC(=O)CCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C=C2)C=C1", "label": -1}, "2860": {"pro_comp_id": 2019, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "2019_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "2861": {"pro_comp_id": 2019, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "2019_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "2862": {"pro_comp_id": 2020, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "2020_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)COCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "2863": {"pro_comp_id": 2020, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "2020_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)COCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "2864": {"pro_comp_id": 2021, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "2021_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)COCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "2865": {"pro_comp_id": 2021, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "2021_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)COCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "2866": {"pro_comp_id": 2022, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "2022_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CCCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "2867": {"pro_comp_id": 2022, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "2022_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CCCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "2868": {"pro_comp_id": 2023, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "2023_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CCC(=O)NCCCOCCCCOCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "2869": {"pro_comp_id": 2023, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "2023_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CCC(=O)NCCCOCCCCOCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "2870": {"pro_comp_id": 2024, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "2024_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CCCCOCCCCCOCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "2871": {"pro_comp_id": 2024, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "2024_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CCCCOCCCCCOCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "2872": {"pro_comp_id": 2025, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "2025_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CCCCCOCCCCCCOCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "2873": {"pro_comp_id": 2025, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "2025_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CCCCCOCCCCCCOCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "2874": {"pro_comp_id": 2026, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "2026_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CCCCCOCCCCOCCCCOCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "2875": {"pro_comp_id": 2026, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "2026_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CCCCCOCCCCOCCCCOCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "2876": {"pro_comp_id": 2027, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "2027_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CCCCCOCCCCOCCCCOCCCCOCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "2877": {"pro_comp_id": 2027, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "2027_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CCCCCOCCCCOCCCCOCCCCOCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "2878": {"pro_comp_id": 2028, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "2028_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CCCCCOCCOCCOCCOCCOCCOCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "2879": {"pro_comp_id": 2028, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "2028_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CCCCCOCCOCCOCCOCCOCCOCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "2880": {"pro_comp_id": 2029, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "2029_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 1}, "2881": {"pro_comp_id": 2029, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "2029_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "2882": {"pro_comp_id": 2030, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "2030_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "2883": {"pro_comp_id": 2030, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "2030_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "2884": {"pro_comp_id": 2031, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "2031_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOCCOCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "2885": {"pro_comp_id": 2031, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "2031_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOCCOCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "2886": {"pro_comp_id": 2032, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "2032_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCCCCCOCCCCCOCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "2887": {"pro_comp_id": 2032, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "2032_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCCCCCOCCCCCOCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "2888": {"pro_comp_id": 2033, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_29_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "2033_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCCCCCCCOC5=CC(C6=C(C)N=CS6)=CC=C5CNC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H](C(C)C)N5CC6=CC=CC=C6C5=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "2889": {"pro_comp_id": 2033, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_29_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "2033_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCCCCCCCOC5=CC(C6=C(C)N=CS6)=CC=C5CNC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H](C(C)C)N5CC6=CC=CC=C6C5=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "2890": {"pro_comp_id": 2034, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_29_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "2034_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOCCOCCOC5=CC(C6=C(C)N=CS6)=CC=C5CNC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H](C(C)C)N5CC6=CC=CC=C6C5=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "2891": {"pro_comp_id": 2034, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_29_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "2034_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOCCOCCOC5=CC(C6=C(C)N=CS6)=CC=C5CNC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H](C(C)C)N5CC6=CC=CC=C6C5=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "2892": {"pro_comp_id": 2035, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_29_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "2035_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOCCOCCOCCOC5=CC(C6=C(C)N=CS6)=CC=C5CNC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H](C(C)C)N5CC6=CC=CC=C6C5=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "2893": {"pro_comp_id": 2035, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_29_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "2035_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOCCOCCOCCOC5=CC(C6=C(C)N=CS6)=CC=C5CNC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H](C(C)C)N5CC6=CC=CC=C6C5=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "2894": {"pro_comp_id": 2036, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_29_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "2036_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCCCCCOCCCCCOCCCCCOC5=CC(C6=C(C)N=CS6)=CC=C5CNC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H](C(C)C)N5CC6=CC=CC=C6C5=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "2895": {"pro_comp_id": 2036, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_29_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "2036_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCCCCCOCCCCCOCCCCCOC5=CC(C6=C(C)N=CS6)=CC=C5CNC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H](C(C)C)N5CC6=CC=CC=C6C5=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "2896": {"pro_comp_id": 2037, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_13_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "2037_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOCCOCCOC5=CC(C6=C(C)N=CS6)=CC=C5CNC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@@H](NC(=O)C5(C#N)CC5)C(C)(C)C)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "2897": {"pro_comp_id": 2037, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_13_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "2037_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOCCOCCOC5=CC(C6=C(C)N=CS6)=CC=C5CNC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@@H](NC(=O)C5(C#N)CC5)C(C)(C)C)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "2898": {"pro_comp_id": 2038, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "2038_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOCCOCCOC5=CC(C6=C(C)N=CS6)=CC=C5CNC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@@H](NC(=O)C5(F)CC5)C(C)(C)C)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 1}, "2899": {"pro_comp_id": 2038, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "2038_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOCCOCCOC5=CC(C6=C(C)N=CS6)=CC=C5CNC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@@H](NC(=O)C5(F)CC5)C(C)(C)C)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": 1}, "2900": {"pro_comp_id": 2039, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "XIAP_P98170.pdb", "e3_lig_path": "XIAP_P98170_49_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "2039_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCOCCOCCN3CCN(C4=CC=C(NC5=NC=C6C(C)=C(C(C)=O)C(=O)N(C7CCCC7)C6=N5)N=C4)CC3)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": 0}, "2901": {"pro_comp_id": 2039, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "XIAP_P98170.pdb", "e3_lig_path": "XIAP_P98170_49_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "2039_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCOCCOCCN3CCN(C4=CC=C(NC5=NC=C6C(C)=C(C(C)=O)C(=O)N(C7CCCC7)C6=N5)N=C4)CC3)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "2902": {"pro_comp_id": 2040, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_10_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "2040_protac.mol2", "smiles": "COC1=CC(C(=O)NCCOCCOCCOCCN2CCN(C3=CC=C(NC4=NC=C5C(C)=C(C(C)=O)C(=O)N(C6CCCC6)C5=N4)N=C3)CC2)=CC=C1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](C#N)(C2=CC=C(Cl)C=C2F)[C@H]1C1=CC=CC(Cl)=C1F", "label": 0}, "2903": {"pro_comp_id": 2040, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_10_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "2040_protac.mol2", "smiles": "COC1=CC(C(=O)NCCOCCOCCOCCN2CCN(C3=CC=C(NC4=NC=C5C(C)=C(C(C)=O)C(=O)N(C6CCCC6)C5=N4)N=C3)CC2)=CC=C1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](C#N)(C2=CC=C(Cl)C=C2F)[C@H]1C1=CC=CC(Cl)=C1F", "label": 0}, "2904": {"pro_comp_id": 2041, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AURKA_O14965_239_lig_smina_out.mol2", "protac_path": "2041_protac.mol2", "smiles": "COC1=CC(NC2=NC=C3CN=C(C4=C(F)C=CC=C4OC)C4=CC(Cl)=CC=C4C3=N2)=CC=C1C(=O)NCCCOCCOCCOCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "2905": {"pro_comp_id": 2041, "tar_path": "AURKB_Q96GD4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AURKB_Q96GD4_239_lig_smina_out.mol2", "protac_path": "2041_protac.mol2", "smiles": "COC1=CC(NC2=NC=C3CN=C(C4=C(F)C=CC=C4OC)C4=CC(Cl)=CC=C4C3=N2)=CC=C1C(=O)NCCCOCCOCCOCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "2906": {"pro_comp_id": 2041, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AURKA_O14965_239_lig_smina_out.mol2", "protac_path": "2041_protac.mol2", "smiles": "COC1=CC(NC2=NC=C3CN=C(C4=C(F)C=CC=C4OC)C4=CC(Cl)=CC=C4C3=N2)=CC=C1C(=O)NCCCOCCOCCOCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "2907": {"pro_comp_id": 2042, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AURKA_O14965_239_lig_smina_out.mol2", "protac_path": "2042_protac.mol2", "smiles": "COC1=CC(NC2=NC=C3CN=C(C4=C(F)C=CC=C4OC)C4=CC(Cl)=CC=C4C3=N2)=CC=C1C(=O)NCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "2908": {"pro_comp_id": 2043, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AURKA_O14965_239_lig_smina_out.mol2", "protac_path": "2043_protac.mol2", "smiles": "COC1=CC(NC2=NC=C3CN=C(C4=C(F)C=CC=C4OC)C4=CC(Cl)=CC=C4C3=N2)=CC=C1C(=O)NCCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "2909": {"pro_comp_id": 2044, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AURKA_O14965_239_lig_smina_out.mol2", "protac_path": "2044_protac.mol2", "smiles": "COC1=CC(NC2=NC=C3CN=C(C4=C(F)C=CC=C4OC)C4=CC(Cl)=CC=C4C3=N2)=CC=C1C(=O)NCCOCCOCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 1}, "2910": {"pro_comp_id": 2044, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AURKA_O14965_239_lig_smina_out.mol2", "protac_path": "2044_protac.mol2", "smiles": "COC1=CC(NC2=NC=C3CN=C(C4=C(F)C=CC=C4OC)C4=CC(Cl)=CC=C4C3=N2)=CC=C1C(=O)NCCOCCOCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "2911": {"pro_comp_id": 2045, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AURKA_O14965_239_lig_smina_out.mol2", "protac_path": "2045_protac.mol2", "smiles": "COC1=CC(NC2=NC=C3CN=C(C4=C(F)C=CC=C4OC)C4=CC(Cl)=CC=C4C3=N2)=CC=C1C(=O)NCCOCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "2912": {"pro_comp_id": 2045, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AURKA_O14965_239_lig_smina_out.mol2", "protac_path": "2045_protac.mol2", "smiles": "COC1=CC(NC2=NC=C3CN=C(C4=C(F)C=CC=C4OC)C4=CC(Cl)=CC=C4C3=N2)=CC=C1C(=O)NCCOCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "2913": {"pro_comp_id": 2046, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AURKA_O14965_239_lig_smina_out.mol2", "protac_path": "2046_protac.mol2", "smiles": "COC1=CC(NC2=NC=C3CN=C(C4=C(F)C=CC=C4OC)C4=CC(Cl)=CC=C4C3=N2)=CC=C1C(=O)NCCOCCOCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C", "label": -1}, "2914": {"pro_comp_id": 2047, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AURKA_O14965_239_lig_smina_out.mol2", "protac_path": "2047_protac.mol2", "smiles": "COC1=CC(NC2=NC=C3CN=C(C4=C(F)C=CC=C4OC)C4=CC(Cl)=CC=C4C3=N2)=CC=C1C(=O)NCCOCCOCCOCCOCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C", "label": -1}, "2915": {"pro_comp_id": 2048, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_122_lig_smina_out.mol2", "protac_path": "2048_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(N2C=C(C3=CN=CN=C3)C3=NC(N(C)C4CCN(C(=O)CCOCCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C32)=C1F", "label": 1}, "2916": {"pro_comp_id": 2049, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_122_lig_smina_out.mol2", "protac_path": "2049_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(N2C=C(C3=CN=CN=C3)C3=NC(N(C)C4CCN(C(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C32)=C1F", "label": 0}, "2917": {"pro_comp_id": 2050, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_122_lig_smina_out.mol2", "protac_path": "2050_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(N2C=C(C3=CN=CN=C3)C3=NC(N(C)C4CCN(C(=O)CCC(=O)NCCCOCCOCCOCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C32)=C1F", "label": 0}, "2918": {"pro_comp_id": 2051, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_205_lig_smina_out.mol2", "protac_path": "2051_protac.mol2", "smiles": "CC(C)(C)C1=NC(C2=CC=CC(NS(=O)(=O)C3=C(F)C=CC=C3F)=C2F)=C(C2=CC=NC(NCCCNC(=O)CCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=N2)S1", "label": -1}, "2919": {"pro_comp_id": 2052, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_205_lig_smina_out.mol2", "protac_path": "2052_protac.mol2", "smiles": "CC(C)(C)C1=NC(C2=CC=CC(NS(=O)(=O)C3=C(F)C=CC=C3F)=C2F)=C(C2=CC=NC(NCCCNC(=O)CCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=N2)S1", "label": -1}, "2920": {"pro_comp_id": 2053, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_205_lig_smina_out.mol2", "protac_path": "2053_protac.mol2", "smiles": "CC(C)(C)C1=NC(C2=CC=CC(NS(=O)(=O)C3=C(F)C=CC=C3F)=C2F)=C(C2=CC=NC(NCCCNC(=O)CCOCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=N2)S1", "label": -1}, "2921": {"pro_comp_id": 2054, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_205_lig_smina_out.mol2", "protac_path": "2054_protac.mol2", "smiles": "CC(C)(C)C1=NC(C2=CC=CC(NS(=O)(=O)C3=C(F)C=CC=C3F)=C2F)=C(C2=CC=NC(NCCCNC(=O)CCOCCOCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=N2)S1", "label": -1}, "2922": {"pro_comp_id": 2055, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_205_lig_smina_out.mol2", "protac_path": "2055_protac.mol2", "smiles": "CC(C)(C)C1=NC(C2=CC=CC(NS(=O)(=O)C3=C(F)C=CC=C3F)=C2F)=C(C2=CC=NC(NCCCNC(=O)CCOCCOCCOCCOCCOCCNC(=O)CCOCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=N2)S1", "label": -1}, "2923": {"pro_comp_id": 2056, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_205_lig_smina_out.mol2", "protac_path": "2056_protac.mol2", "smiles": "CC(C)(C)C1=NC(C2=CC=CC(NS(=O)(=O)C3=C(F)C=CC=C3F)=C2F)=C(C2=CC=NC(NCCCCCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=N2)S1", "label": -1}, "2924": {"pro_comp_id": 2057, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_205_lig_smina_out.mol2", "protac_path": "2057_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](NC(=O)CCC(=O)NCCCCCCNC3=NC=CC(C4=C(C5=CC=CC(NS(=O)(=O)C6=C(F)C=CC=C6F)=C5F)N=C(C(C)(C)C)S4)=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2925": {"pro_comp_id": 2058, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_205_lig_smina_out.mol2", "protac_path": "2058_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCC(=O)N3CCC(C4=NC(C5=CC=CC(NS(=O)(=O)C6=C(F)C=CC=C6F)=C5F)=C(C5=CC=NC(N)=N5)S4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "2926": {"pro_comp_id": 2059, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_205_lig_smina_out.mol2", "protac_path": "2059_protac.mol2", "smiles": "NC1=NC=CC(C2=C(C3=CC=CC(NS(=O)(=O)C4=C(F)C=CC=C4F)=C3F)N=C(C3CCN(C(=O)CCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)S2)=N1", "label": 0}, "2927": {"pro_comp_id": 2060, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_122_lig_smina_out.mol2", "protac_path": "2060_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(N2C=C(C3=CN=CN=C3)C3=NC(N(C)C4CCN(CC5CN(C(=O)CCOCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)CC4)=CC=C32)=C1F", "label": 0}, "2928": {"pro_comp_id": 2061, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_122_lig_smina_out.mol2", "protac_path": "2061_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(N2C=C(C3=CN=CN=C3)C3=NC(N(C)C4CCN(CCCCCCCCCC(=O)N5CCN(CC6=CC=C(CNC7=CC=CC8=C7C(=O)N(C7CCC(=O)NC7=O)C8=O)C=C6)CC5)CC4)=CC=C32)=C1F", "label": 0}, "2929": {"pro_comp_id": 2062, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_122_lig_smina_out.mol2", "protac_path": "2062_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(N2C=C(C3=CN=CN=C3)C3=NC(N(C)C4CCN(CCCCCCCCCC(=O)N5CCN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)=CC=C32)=C1F", "label": 0}, "2930": {"pro_comp_id": 2063, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_122_lig_smina_out.mol2", "protac_path": "2063_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(N2C=C(C3=CN=CN=C3)C3=NC(N(C)C4CCN(CC(=O)NCCCOCCCCOCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C32)=C1F", "label": 0}, "2931": {"pro_comp_id": 2064, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_122_lig_smina_out.mol2", "protac_path": "2064_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(N2C=C(C3=CN=CN=C3)C3=NC(N(C)C4CCN(C(=O)CCOCCOCCN5C=C(COCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)=CC=C32)=C1F", "label": 0}, "2932": {"pro_comp_id": 2065, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_122_lig_smina_out.mol2", "protac_path": "2065_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(N2C=C(C3=CN=CN=C3)C3=NC(N(C)C4CCN(C(=O)CCOCCOCCOCCOCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C32)=C1F", "label": 0}, "2933": {"pro_comp_id": 2066, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_1_lig_smina_out.mol2", "war_path": "BTK_Q06187_28_lig_smina_out.mol2", "protac_path": "2066_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCOCCOC(=O)N3CCC[C@@H](N4N=C(C5=CC=C(OC6=CC=C(F)C=C6F)C=C5)C(C(N)=O)=C4N)C3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C", "label": -1}, "2934": {"pro_comp_id": 2067, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_1_lig_smina_out.mol2", "war_path": "BTK_Q06187_28_lig_smina_out.mol2", "protac_path": "2067_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCC3=CN=C(COC(=O)N4CCC[C@@H](N5N=C(C6=CC=C(OC7=CC=C(F)C=C7F)C=C6)C(C(N)=O)=C5N)C4)C=N3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C", "label": 0}, "2936": {"pro_comp_id": 2069, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK2_P24941_244_lig_smina_out.mol2", "protac_path": "2069_protac.mol2", "smiles": "NC1=NC(NC2=CC=C(S(=O)(=O)NCCOCC3=CN(CCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)=NN1C(=O)C1=C(F)C=CC=C1F", "label": -1}, "2937": {"pro_comp_id": 2070, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK2_P24941_261_lig_smina_out.mol2", "protac_path": "2070_protac.mol2", "smiles": "CC1=C(C(=O)N2N=C(NC3=CC=C(S(=O)(=O)NCCOCC4=CN(CCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)C=C3)N=C2N)SC=C1", "label": -1}, "2938": {"pro_comp_id": 2071, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK2_P24941_261_lig_smina_out.mol2", "protac_path": "2071_protac.mol2", "smiles": "CC1=C(C(=O)N2N=C(NC3=CC=C(S(=O)(=O)NCCOCC4=CN(CCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)C=C3)N=C2N)SC=C1", "label": 1}, "2939": {"pro_comp_id": 2071, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK2_P24941_261_lig_smina_out.mol2", "protac_path": "2071_protac.mol2", "smiles": "CC1=C(C(=O)N2N=C(NC3=CC=C(S(=O)(=O)NCCOCC4=CN(CCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)C=C3)N=C2N)SC=C1", "label": 1}, "2940": {"pro_comp_id": 2071, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK2_P24941_261_lig_smina_out.mol2", "protac_path": "2071_protac.mol2", "smiles": "CC1=C(C(=O)N2N=C(NC3=CC=C(S(=O)(=O)NCCOCC4=CN(CCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)C=C3)N=C2N)SC=C1", "label": 1}, "2941": {"pro_comp_id": 2071, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK2_P24941_261_lig_smina_out.mol2", "protac_path": "2071_protac.mol2", "smiles": "CC1=C(C(=O)N2N=C(NC3=CC=C(S(=O)(=O)NCCOCC4=CN(CCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)C=C3)N=C2N)SC=C1", "label": 1}, "2942": {"pro_comp_id": 2071, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK2_P24941_261_lig_smina_out.mol2", "protac_path": "2071_protac.mol2", "smiles": "CC1=C(C(=O)N2N=C(NC3=CC=C(S(=O)(=O)NCCOCC4=CN(CCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)C=C3)N=C2N)SC=C1", "label": 1}, "2943": {"pro_comp_id": 2071, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK2_P24941_261_lig_smina_out.mol2", "protac_path": "2071_protac.mol2", "smiles": "CC1=C(C(=O)N2N=C(NC3=CC=C(S(=O)(=O)NCCOCC4=CN(CCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)C=C3)N=C2N)SC=C1", "label": 1}, "2944": {"pro_comp_id": 2072, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK2_P24941_261_lig_smina_out.mol2", "protac_path": "2072_protac.mol2", "smiles": "CC1=C(C(=O)N2N=C(NC3=CC=C(S(=O)(=O)NCCOCC4=CN(CCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)C=C3)N=C2N)SC=C1", "label": -1}, "2945": {"pro_comp_id": 2073, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_121_lig_smina_out.mol2", "protac_path": "2073_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(N5CCN(CC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4)C=C23)=C1F", "label": -1}, "2946": {"pro_comp_id": 2073, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_121_lig_smina_out.mol2", "protac_path": "2073_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(N5CCN(CC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4)C=C23)=C1F", "label": -1}, "2947": {"pro_comp_id": 2073, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_121_lig_smina_out.mol2", "protac_path": "2073_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(N5CCN(CC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4)C=C23)=C1F", "label": -1}, "2948": {"pro_comp_id": 2073, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_121_lig_smina_out.mol2", "protac_path": "2073_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(N5CCN(CC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4)C=C23)=C1F", "label": -1}, "2949": {"pro_comp_id": 2073, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_121_lig_smina_out.mol2", "protac_path": "2073_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(N5CCN(CC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4)C=C23)=C1F", "label": -1}, "2950": {"pro_comp_id": 2073, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_121_lig_smina_out.mol2", "protac_path": "2073_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(N5CCN(CC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4)C=C23)=C1F", "label": 1}, "2951": {"pro_comp_id": 2073, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_121_lig_smina_out.mol2", "protac_path": "2073_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(N5CCN(CC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4)C=C23)=C1F", "label": 1}, "2952": {"pro_comp_id": 2073, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_121_lig_smina_out.mol2", "protac_path": "2073_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(N5CCN(CC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4)C=C23)=C1F", "label": 1}, "2953": {"pro_comp_id": 2074, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_121_lig_smina_out.mol2", "protac_path": "2074_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(OCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)C=C4)C=C23)=C1F", "label": -1}, "2954": {"pro_comp_id": 2074, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_121_lig_smina_out.mol2", "protac_path": "2074_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(OCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)C=C4)C=C23)=C1F", "label": -1}, "2955": {"pro_comp_id": 2074, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_121_lig_smina_out.mol2", "protac_path": "2074_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(OCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)C=C4)C=C23)=C1F", "label": -1}, "2956": {"pro_comp_id": 2074, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_121_lig_smina_out.mol2", "protac_path": "2074_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(OCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)C=C4)C=C23)=C1F", "label": -1}, "2957": {"pro_comp_id": 2074, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_121_lig_smina_out.mol2", "protac_path": "2074_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(OCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)C=C4)C=C23)=C1F", "label": -1}, "2958": {"pro_comp_id": 2074, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_121_lig_smina_out.mol2", "protac_path": "2074_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(OCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)C=C4)C=C23)=C1F", "label": -1}, "2959": {"pro_comp_id": 2074, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_121_lig_smina_out.mol2", "protac_path": "2074_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(OCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)C=C4)C=C23)=C1F", "label": -1}, "2960": {"pro_comp_id": 2074, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_121_lig_smina_out.mol2", "protac_path": "2074_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(OCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)C=C4)C=C23)=C1F", "label": -1}, "2961": {"pro_comp_id": 2075, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_121_lig_smina_out.mol2", "protac_path": "2075_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(OCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)C=C4)C=C23)=C1F", "label": -1}, "2962": {"pro_comp_id": 2075, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_121_lig_smina_out.mol2", "protac_path": "2075_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(OCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)C=C4)C=C23)=C1F", "label": -1}, "2963": {"pro_comp_id": 2075, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_121_lig_smina_out.mol2", "protac_path": "2075_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(OCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)C=C4)C=C23)=C1F", "label": -1}, "2964": {"pro_comp_id": 2075, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_121_lig_smina_out.mol2", "protac_path": "2075_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(OCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)C=C4)C=C23)=C1F", "label": -1}, "2965": {"pro_comp_id": 2075, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_121_lig_smina_out.mol2", "protac_path": "2075_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(OCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)C=C4)C=C23)=C1F", "label": -1}, "2966": {"pro_comp_id": 2075, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_121_lig_smina_out.mol2", "protac_path": "2075_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(OCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)C=C4)C=C23)=C1F", "label": -1}, "2967": {"pro_comp_id": 2075, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_121_lig_smina_out.mol2", "protac_path": "2075_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(OCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)C=C4)C=C23)=C1F", "label": -1}, "2968": {"pro_comp_id": 2075, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_121_lig_smina_out.mol2", "protac_path": "2075_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(OCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)C=C4)C=C23)=C1F", "label": -1}, "2969": {"pro_comp_id": 2076, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "2076_protac.mol2", "smiles": "CN(CCCNC(=O)CNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)C(C)(C)/C=C(\\C#N)C(=O)N1CCC[C@@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C3=C(N)N=CN=C32)C1", "label": 1}, "2970": {"pro_comp_id": 2077, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "2077_protac.mol2", "smiles": "CN(CCCCNC(=O)CNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)C(C)(C)/C=C(\\C#N)C(=O)N1CCC[C@@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C3=C(N)N=CN=C32)C1", "label": -1}, "2971": {"pro_comp_id": 2078, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "2078_protac.mol2", "smiles": "CN(CCOCCNC(=O)CNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)C(C)(C)/C=C(\\C#N)C(=O)N1CCC[C@@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C3=C(N)N=CN=C32)C1", "label": -1}, "2972": {"pro_comp_id": 2079, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "2079_protac.mol2", "smiles": "CN(CCOCCOCCNC(=O)CNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)C(C)(C)/C=C(\\C#N)C(=O)N1CCC[C@@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C3=C(N)N=CN=C32)C1", "label": -1}, "2973": {"pro_comp_id": 2080, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "2080_protac.mol2", "smiles": "CN(CCOCCOCCOCCNC(=O)CNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)C(C)(C)/C=C(\\C#N)C(=O)N1CCC[C@@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C3=C(N)N=CN=C32)C1", "label": -1}, "2974": {"pro_comp_id": 2081, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "2081_protac.mol2", "smiles": "CN(CCNC(=O)CNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)C(C)(C)/C=C(\\C#N)C(=O)N1CCC[C@@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C3=C(N)N=CN=C32)C1", "label": -1}, "2975": {"pro_comp_id": 2082, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "2082_protac.mol2", "smiles": "CN(CCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)C(C)(C)/C=C(\\C#N)C(=O)N1CCC[C@@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C3=C(N)N=CN=C32)C1", "label": -1}, "2976": {"pro_comp_id": 2083, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "2083_protac.mol2", "smiles": "CN(CCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)C(C)(C)/C=C(\\C#N)C(=O)N1CCC[C@@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C3=C(N)N=CN=C32)C1", "label": -1}, "2977": {"pro_comp_id": 2084, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "2084_protac.mol2", "smiles": "CN(CCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)C(C)(C)/C=C(\\C#N)C(=O)N1CCC[C@@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C3=C(N)N=CN=C32)C1", "label": -1}, "2978": {"pro_comp_id": 2085, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "2085_protac.mol2", "smiles": "CN(C/C=C/C(=O)N1CCC[C@@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C3=C(N)N=CN=C32)C1)CCCNC(=O)CNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "2979": {"pro_comp_id": 2086, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "2086_protac.mol2", "smiles": "CN(CCCNC(=O)CNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)CCCC(=O)N1CCC[C@@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C3=C(N)N=CN=C32)C1", "label": -1}, "2980": {"pro_comp_id": 2087, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "2087_protac.mol2", "smiles": "CN(C/C=C/C(=O)N1CCC[C@@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C3=C(N)N=CN=C32)C1)CCOCCNC(=O)CNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "2981": {"pro_comp_id": 2088, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "2088_protac.mol2", "smiles": "CN(CCCC(=O)N1CCC[C@@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C3=C(N)N=CN=C32)C1)CCOCCNC(=O)CNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "2982": {"pro_comp_id": 2089, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "2089_protac.mol2", "smiles": "CN(CCCNC(=O)CNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)C(C)(C)CC(C#N)C(=O)N1CCC[C@@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C3=C(N)N=CN=C32)C1", "label": -1}, "2983": {"pro_comp_id": 2090, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "2090_protac.mol2", "smiles": "CN(CCCNC(=O)CNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)C(C)(C)/C=C/C(=O)N1CCC[C@@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C3=C(N)N=CN=C32)C1", "label": -1}, "2984": {"pro_comp_id": 2091, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "2091_protac.mol2", "smiles": "CN(C/C=C/C(=O)N1CCC[C@@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C3=C(N)N=CN=C32)C1)CCOCCNC(=O)CNC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1", "label": -1}, "2985": {"pro_comp_id": 2092, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "2092_protac.mol2", "smiles": "CN(CCCC(=O)N1CCC[C@@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C3=C(N)N=CN=C32)C1)CCOCCNC(=O)CNC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1", "label": -1}, "2986": {"pro_comp_id": 2093, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "2093_protac.mol2", "smiles": "CN(CCOCCNC(=O)CNC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1)C(C)(C)/C=C(\\C#N)C(=O)N1CCC[C@@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C3=C(N)N=CN=C32)C1", "label": -1}, "2987": {"pro_comp_id": 2094, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FLT3_P36888_230_lig_smina_out.mol2", "protac_path": "2094_protac.mol2", "smiles": "CCCNC1=NC(NC2=CC=C(C#N)C=C2)=NC=C1C#CCCCNC(=O)[C@H](C)N(C)C(=O)/C=C/CN(C)CCCNC(=O)CCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "2988": {"pro_comp_id": 2095, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FLT3_P36888_230_lig_smina_out.mol2", "protac_path": "2095_protac.mol2", "smiles": "CCCNC1=NC(NC2=CC=C(C#N)C=C2)=NC=C1C#CCCCNC(=O)[C@H](C)N(C)C(=O)CCCN(C)CCCNC(=O)CCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "2989": {"pro_comp_id": 2096, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FLT3_P36888_230_lig_smina_out.mol2", "protac_path": "2096_protac.mol2", "smiles": "CCCNC1=NC(NC2=CC=C(C#N)C=C2)=NC=C1C#CCCCNC(=O)[C@H](C)N(C)C(=O)/C(C#N)=C/C(C)(C)N(C)CCCNC(=O)CCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "2990": {"pro_comp_id": 2097, "tar_path": "FKBP12_P62942.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "FKBP12_F36V_P62942_146_lig_smina_out.mol2", "protac_path": "2097_protac.mol2", "smiles": "CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCC1=CC=C(OC)C(OC)=C1)C1=CC=CC=C1OCC(=O)NCCCCCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)C1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C)C1=CC(OC)=C(OC)C(OC)=C1", "label": -1}, "2991": {"pro_comp_id": 2098, "tar_path": "FKBP12_P62942.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "FKBP12_F36V_P62942_146_lig_smina_out.mol2", "protac_path": "2098_protac.mol2", "smiles": "CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCC1=CC=C(OC)C(OC)=C1)C1=CC=CC=C1OCC(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)C1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C)C1=CC(OC)=C(OC)C(OC)=C1", "label": -1}, "2992": {"pro_comp_id": 2099, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "2099_protac.mol2", "smiles": "O=C1CCC(N2CC3=C(NC(=O)CCCCCCCNC(=O)C4=CC(CC5=N[NH]C(=O)C6=CC=CC=C56)=CC=C4F)C=CC=C3C2=O)C(=O)N1", "label": -1}, "2993": {"pro_comp_id": 2100, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "2100_protac.mol2", "smiles": "O=C1CCC(N2CC3=C(NC(=O)CCCCCCCCCCNC(=O)C4=CC(CC5=N[NH]C(=O)C6=CC=CC=C56)=CC=C4F)C=CC=C3C2=O)C(=O)N1", "label": 0}, "2994": {"pro_comp_id": 2101, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "2101_protac.mol2", "smiles": "O=C1CCC(N2CC3=C(NC(=O)CCCCCCCCCCCNC(=O)C4=CC(CC5=N[NH]C(=O)C6=CC=CC=C56)=CC=C4F)C=CC=C3C2=O)C(=O)N1", "label": 0}, "2995": {"pro_comp_id": 2102, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AR_P10275_204_lig_smina_out.mol2", "protac_path": "2102_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCNC(=O)COC3=C(F)C(F)=CC=C3C3=CSC(N4CCOCC4)=N3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "2996": {"pro_comp_id": 2102, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AR_P10275_204_lig_smina_out.mol2", "protac_path": "2102_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCNC(=O)COC3=C(F)C(F)=CC=C3C3=CSC(N4CCOCC4)=N3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "2997": {"pro_comp_id": 2103, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "LRRK2_Q5S007_245_lig_smina_out.mol2", "protac_path": "2103_protac.mol2", "smiles": "N#CC1=CC=CC(C2=C[NH]C3=NC=NC(N4CCOC(CNC(=O)CCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)=C23)=C1", "label": 0}, "2998": {"pro_comp_id": 2104, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "LRRK2_Q5S007_245_lig_smina_out.mol2", "protac_path": "2104_protac.mol2", "smiles": "N#CC1=CC=CC(C2=C[NH]C3=NC=NC(N4CCOC(CC(=O)NCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)=C23)=C1", "label": 0}, "2999": {"pro_comp_id": 2105, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "LRRK2_Q5S007_245_lig_smina_out.mol2", "protac_path": "2105_protac.mol2", "smiles": "N#CC1=CC=CC(C2=C[NH]C3=NC=NC(N4CCOC(C(=O)NCC5CCN(CC(=O)NC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C4)=C23)=C1", "label": 0}, "3000": {"pro_comp_id": 2106, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "LRRK2_Q5S007_245_lig_smina_out.mol2", "protac_path": "2106_protac.mol2", "smiles": "N#CC1=CC=CC(C2=C[NH]C3=NC=NC(N4CCN(C(=O)CCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=C23)=C1", "label": 0}, "3001": {"pro_comp_id": 2107, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "LRRK2_Q5S007_232_lig_smina_out.mol2", "protac_path": "2107_protac.mol2", "smiles": "CCNC1=NC(NC2=CC(F)=C(C(=O)N3CCOC(CNC(=O)CCCC(=O)NC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)C=C2OC)=NC=C1C(F)(F)F", "label": 0}, "3002": {"pro_comp_id": 2108, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "LRRK2_Q5S007_232_lig_smina_out.mol2", "protac_path": "2108_protac.mol2", "smiles": "CCNC1=NC(NC2=CC(F)=C(C(=O)NCC3CCN(C(=O)NC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1C(F)(F)F", "label": 0}, "3003": {"pro_comp_id": 2109, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "LRRK2_Q5S007_232_lig_smina_out.mol2", "protac_path": "2109_protac.mol2", "smiles": "CCNC1=NC(NC2=CC(F)=C(C(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2OC)=NC=C1C(F)(F)F", "label": 0}, "3004": {"pro_comp_id": 2110, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_38_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_264_lig_smina_out.mol2", "protac_path": "2110_protac.mol2", "smiles": "CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CC1=CC=CC=C1)C(=O)NCCCCCC(=O)NC1=CC=C(NC(=O)CCCCCCC(=O)NO)C=C1", "label": -1}, "3005": {"pro_comp_id": 2110, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_38_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_264_lig_smina_out.mol2", "protac_path": "2110_protac.mol2", "smiles": "CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CC1=CC=CC=C1)C(=O)NCCCCCC(=O)NC1=CC=C(NC(=O)CCCCCCC(=O)NO)C=C1", "label": -1}, "3006": {"pro_comp_id": 2110, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_38_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_264_lig_smina_out.mol2", "protac_path": "2110_protac.mol2", "smiles": "CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CC1=CC=CC=C1)C(=O)NCCCCCC(=O)NC1=CC=C(NC(=O)CCCCCCC(=O)NO)C=C1", "label": -1}, "3008": {"pro_comp_id": 2111, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_38_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_269_lig_smina_out.mol2", "protac_path": "2111_protac.mol2", "smiles": "CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CC1=CC=CC=C1)C(=O)NCCOCCOCCNC(=O)C1=CC=CC(C(=O)NO)=C1", "label": -1}, "3009": {"pro_comp_id": 2111, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_38_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_269_lig_smina_out.mol2", "protac_path": "2111_protac.mol2", "smiles": "CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CC1=CC=CC=C1)C(=O)NCCOCCOCCNC(=O)C1=CC=CC(C(=O)NO)=C1", "label": -1}, "3011": {"pro_comp_id": 2112, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_38_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_268_lig_smina_out.mol2", "protac_path": "2112_protac.mol2", "smiles": "CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CC1=CC=CC=C1)C(=O)NCCOCCOCC(=O)NC1=CC=CC(C(=O)NO)=C1", "label": -1}, "3012": {"pro_comp_id": 2112, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_38_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_268_lig_smina_out.mol2", "protac_path": "2112_protac.mol2", "smiles": "CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CC1=CC=CC=C1)C(=O)NCCOCCOCC(=O)NC1=CC=CC(C(=O)NO)=C1", "label": -1}, "3013": {"pro_comp_id": 2113, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FAK_Q05397_237_lig_smina_out.mol2", "protac_path": "2113_protac.mol2", "smiles": "CNC(=O)C1=CC=CC=C1NC1=CC(NC2=CC=C(N3CCN(CCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1C(F)(F)F", "label": 1}, "3014": {"pro_comp_id": 2114, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_237_lig_smina_out.mol2", "protac_path": "2114_protac.mol2", "smiles": "CNC(=O)C1=CC=CC=C1NC1=CC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1C(F)(F)F", "label": 1}, "3015": {"pro_comp_id": 2114, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AURKA_O14965_237_lig_smina_out.mol2", "protac_path": "2114_protac.mol2", "smiles": "CNC(=O)C1=CC=CC=C1NC1=CC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1C(F)(F)F", "label": -1}, "3016": {"pro_comp_id": 2114, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Wee1_P30291_237_lig_smina_out.mol2", "protac_path": "2114_protac.mol2", "smiles": "CNC(=O)C1=CC=CC=C1NC1=CC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1C(F)(F)F", "label": -1}, "3017": {"pro_comp_id": 2114, "tar_path": "CDK7_P50613.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK7_P50613_237_lig_smina_out.mol2", "protac_path": "2114_protac.mol2", "smiles": "CNC(=O)C1=CC=CC=C1NC1=CC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1C(F)(F)F", "label": -1}, "3018": {"pro_comp_id": 2114, "tar_path": "RPS6KA3_P51812.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "RPS6KA3_P51812_237_lig_smina_out.mol2", "protac_path": "2114_protac.mol2", "smiles": "CNC(=O)C1=CC=CC=C1NC1=CC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1C(F)(F)F", "label": -1}, "3019": {"pro_comp_id": 2114, "tar_path": "ERK5_Q13164.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MAPK7_Q13164_237_lig_smina_out.mol2", "protac_path": "2114_protac.mol2", "smiles": "CNC(=O)C1=CC=CC=C1NC1=CC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1C(F)(F)F", "label": -1}, "3020": {"pro_comp_id": 2114, "tar_path": "PTK2B_Q14289.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PTK2B_Q14289_237_lig_smina_out.mol2", "protac_path": "2114_protac.mol2", "smiles": "CNC(=O)C1=CC=CC=C1NC1=CC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1C(F)(F)F", "label": -1}, "3021": {"pro_comp_id": 2114, "tar_path": "CDK10_Q15131.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK10_Q15131_237_lig_smina_out.mol2", "protac_path": "2114_protac.mol2", "smiles": "CNC(=O)C1=CC=CC=C1NC1=CC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1C(F)(F)F", "label": -1}, "3022": {"pro_comp_id": 2114, "tar_path": "RPS6KA1_Q15418.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "RPS6KA1_Q15418_237_lig_smina_out.mol2", "protac_path": "2114_protac.mol2", "smiles": "CNC(=O)C1=CC=CC=C1NC1=CC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1C(F)(F)F", "label": -1}, "3023": {"pro_comp_id": 2114, "tar_path": "STK33_Q9BYT3.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STK33_Q9BYT3_237_lig_smina_out.mol2", "protac_path": "2114_protac.mol2", "smiles": "CNC(=O)C1=CC=CC=C1NC1=CC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1C(F)(F)F", "label": -1}, "3024": {"pro_comp_id": 2115, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_237_lig_smina_out.mol2", "protac_path": "2115_protac.mol2", "smiles": "CNC(=O)C1=CC=CC=C1NC1=CC(NC2=CC=C(N3CCN(CCCCCCCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1C(F)(F)F", "label": 1}, "3025": {"pro_comp_id": 2116, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_237_lig_smina_out.mol2", "protac_path": "2116_protac.mol2", "smiles": "CNC(=O)C1=CC=CC=C1NC1=CC(NC2=CC=C(N3CCN(CCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1C(F)(F)F", "label": 1}, "3026": {"pro_comp_id": 2116, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AURKA_O14965_237_lig_smina_out.mol2", "protac_path": "2116_protac.mol2", "smiles": "CNC(=O)C1=CC=CC=C1NC1=CC(NC2=CC=C(N3CCN(CCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1C(F)(F)F", "label": -1}, "3027": {"pro_comp_id": 2116, "tar_path": "NUAK1_O60285.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "NUAK1_O60285_237_lig_smina_out.mol2", "protac_path": "2116_protac.mol2", "smiles": "CNC(=O)C1=CC=CC=C1NC1=CC(NC2=CC=C(N3CCN(CCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1C(F)(F)F", "label": -1}, "3028": {"pro_comp_id": 2116, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Wee1_P30291_237_lig_smina_out.mol2", "protac_path": "2116_protac.mol2", "smiles": "CNC(=O)C1=CC=CC=C1NC1=CC(NC2=CC=C(N3CCN(CCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1C(F)(F)F", "label": -1}, "3029": {"pro_comp_id": 2116, "tar_path": "RPS6KA3_P51812.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "RPS6KA3_P51812_237_lig_smina_out.mol2", "protac_path": "2116_protac.mol2", "smiles": "CNC(=O)C1=CC=CC=C1NC1=CC(NC2=CC=C(N3CCN(CCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1C(F)(F)F", "label": -1}, "3030": {"pro_comp_id": 2116, "tar_path": "PTK2B_Q14289.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PTK2B_Q14289_237_lig_smina_out.mol2", "protac_path": "2116_protac.mol2", "smiles": "CNC(=O)C1=CC=CC=C1NC1=CC(NC2=CC=C(N3CCN(CCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1C(F)(F)F", "label": -1}, "3031": {"pro_comp_id": 2116, "tar_path": "RPS6KA1_Q15418.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "RPS6KA1_Q15418_237_lig_smina_out.mol2", "protac_path": "2116_protac.mol2", "smiles": "CNC(=O)C1=CC=CC=C1NC1=CC(NC2=CC=C(N3CCN(CCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1C(F)(F)F", "label": -1}, "3032": {"pro_comp_id": 2116, "tar_path": "STK33_Q9BYT3.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STK33_Q9BYT3_237_lig_smina_out.mol2", "protac_path": "2116_protac.mol2", "smiles": "CNC(=O)C1=CC=CC=C1NC1=CC(NC2=CC=C(N3CCN(CCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1C(F)(F)F", "label": -1}, "3033": {"pro_comp_id": 2117, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FAK_Q05397_242_lig_smina_out.mol2", "protac_path": "2117_protac.mol2", "smiles": "CS(=O)(=O)C1=CC=CC(CNC2=NC(NC3=CC=C(C(=O)NCCCCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C2C(F)(F)F)=C1", "label": 1}, "3034": {"pro_comp_id": 2118, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FAK_Q05397_226_lig_smina_out.mol2", "protac_path": "2118_protac.mol2", "smiles": "CNC(=O)C1=CC=CC=C1NC1=CC(NC2=CC(C)=C(C3CCN(CCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC(C)C)=NC=C1C(F)(F)F", "label": 1}, "3035": {"pro_comp_id": 2118, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FAK_Q05397_226_lig_smina_out.mol2", "protac_path": "2118_protac.mol2", "smiles": "CNC(=O)C1=CC=CC=C1NC1=CC(NC2=CC(C)=C(C3CCN(CCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC(C)C)=NC=C1C(F)(F)F", "label": -1}, "3036": {"pro_comp_id": 2118, "tar_path": "PTK2B_Q14289.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PYK2_Q14289_226_lig_smina_out.mol2", "protac_path": "2118_protac.mol2", "smiles": "CNC(=O)C1=CC=CC=C1NC1=CC(NC2=CC(C)=C(C3CCN(CCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC(C)C)=NC=C1C(F)(F)F", "label": -1}, "3037": {"pro_comp_id": 2119, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "ER_P03372_215_lig_smina_out.mol2", "protac_path": "2119_protac.mol2", "smiles": "C[C@@H]1CC2=C([NH]C3=CC=CC=C23)[C@@H](C2=CN=C(N3CCC(CCN4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)CC6=C5)CC4)CC3)N=C2)N1CC(C)(C)F", "label": 1}, "3038": {"pro_comp_id": 2120, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "ER_P03372_215_lig_smina_out.mol2", "protac_path": "2120_protac.mol2", "smiles": "C[C@@H]1CC2=C([NH]C3=CC=CC=C23)[C@@H](C2=CN=C(N3CCC(OCCN4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)CC6=C5)CC4)CC3)N=C2)N1CC(C)(C)F", "label": 1}, "3039": {"pro_comp_id": 2121, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "ER_P03372_174_lig_smina_out.mol2", "protac_path": "2121_protac.mol2", "smiles": "C[C@@H]1CC2=C([NH]C3=CC=CC=C23)[C@@H](C2=C(F)C=C(OCCCCCN3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)CC5=C4)CC3)C=C2F)N1CC(C)(C)F", "label": 1}, "3040": {"pro_comp_id": 2122, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "ER_P03372_215_lig_smina_out.mol2", "protac_path": "2122_protac.mol2", "smiles": "C[C@@H]1CC2=C([NH]C3=CC=CC=C23)[C@@H](C2=CN=C(N3CCC(CN4CCN(CC5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)CC7=C6)CC5)CC4)CC3)N=C2)N1CC(C)(C)F", "label": 1}, "3041": {"pro_comp_id": 2123, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "ER_P03372_215_lig_smina_out.mol2", "protac_path": "2123_protac.mol2", "smiles": "C[C@@H]1CC2=C([NH]C3=CC=CC=C23)[C@@H](C2=CN=C(N3CCC4(CCN(CCC5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)CC7=C6)CC5)CC4)CC3)N=C2)N1CC(C)(C)F", "label": 1}, "3042": {"pro_comp_id": 2124, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "ER_P03372_215_lig_smina_out.mol2", "protac_path": "2124_protac.mol2", "smiles": "C[C@@H]1CC2=C([NH]C3=CC=CC=C23)[C@@H](C2=CN=C(N3CCC(CCN4CCC5(CC4)CCN(C4=CC=C6C(=O)N(C7CCC(=O)NC7=O)CC6=C4)CC5)CC3)N=C2)N1CC(C)(C)F", "label": 1}, "3043": {"pro_comp_id": 2125, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_66_lig_smina_out.mol2", "war_path": "ER_P03372_215_lig_smina_out.mol2", "protac_path": "2125_protac.mol2", "smiles": "COC1=CC(N2CCN(CCC3CCN(C4=NC=C([C@@H]5C6=C(C[C@@H](C)N5CC(C)(C)F)C5=CC=CC=C5[NH]6)C=N4)CC3)CC2)=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2", "label": 1}, "3044": {"pro_comp_id": 2126, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "ER_P03372_215_lig_smina_out.mol2", "protac_path": "2126_protac.mol2", "smiles": "C[C@@H]1CC2=C([NH]C3=CC=CC=C23)[C@@H](C2=CN=C(N3CCC(CN4CCOC5(CC4)CCN(C4=CC=C6C(=O)N(C7CCC(=O)NC7=O)CC6=C4)CC5)CC3)N=C2)N1CC(C)(C)F", "label": 1}, "3045": {"pro_comp_id": 2127, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "ER_P03372_215_lig_smina_out.mol2", "protac_path": "2127_protac.mol2", "smiles": "C[C@@H]1CC2=C([NH]C3=CC=CC=C23)[C@@H](C2=CN=C(N3CCC(CCN4CCOC5(CC4)CCN(C4=CC=C6C(=O)N(C7CCC(=O)NC7=O)CC6=C4)CC5)CC3)N=C2)N1CC(C)(C)F", "label": 1}, "3046": {"pro_comp_id": 2128, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "ER_P03372_215_lig_smina_out.mol2", "protac_path": "2128_protac.mol2", "smiles": "C[C@@H]1CC2=C([NH]C3=CC=CC=C23)[C@@H](C2=CN=C(N3CCC4(CC3)CC(CN3CC5(CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)CC7=C6)CC5)C3)C4)N=C2)N1CC(C)(C)F", "label": 1}, "3047": {"pro_comp_id": 2129, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_66_lig_smina_out.mol2", "war_path": "ER_P03372_215_lig_smina_out.mol2", "protac_path": "2129_protac.mol2", "smiles": "COC1=CC(N2CCN(CC3CCN(C4=NC=C([C@@H]5C6=C(C[C@@H](C)N5CC(C)(C)F)C5=CC=CC=C5[NH]6)C=N4)CC3)CC2)=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2", "label": 1}, "3048": {"pro_comp_id": 2130, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "ER_P03372_215_lig_smina_out.mol2", "protac_path": "2130_protac.mol2", "smiles": "C[C@@H]1CC2=C([NH]C3=CC=CC=C23)[C@@H](C2=CN=C(OC3CCC4(CC3)CCN(CC3CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)CC6=C5)CC3)CC4)N=C2)N1CC(C)(C)F", "label": 1}, "3049": {"pro_comp_id": 2131, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_94_lig_smina_out.mol2", "protac_path": "2131_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCC3=CC=C(OCCN4CCN(C5=CC(C6=CC=CC=C6O)=NN=C5N)CC4)C=C3)=C2)SC=N1", "label": 1}, "3050": {"pro_comp_id": 2131, "tar_path": "SMARCA4_P51532.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "SMARCA4_P51532_94_lig_smina_out.mol2", "protac_path": "2131_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCC3=CC=C(OCCN4CCN(C5=CC(C6=CC=CC=C6O)=NN=C5N)CC4)C=C3)=C2)SC=N1", "label": 1}, "3051": {"pro_comp_id": 2132, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_94_lig_smina_out.mol2", "protac_path": "2132_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCCOC3=CC=C(CN4CCN(C5=CC(C6=CC=CC=C6O)=NN=C5N)CC4)C=C3)=C2)SC=N1", "label": 1}, "3052": {"pro_comp_id": 2132, "tar_path": "SMARCA4_P51532.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "SMARCA4_P51532_94_lig_smina_out.mol2", "protac_path": "2132_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCCOC3=CC=C(CN4CCN(C5=CC(C6=CC=CC=C6O)=NN=C5N)CC4)C=C3)=C2)SC=N1", "label": 1}, "3053": {"pro_comp_id": 2133, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_94_lig_smina_out.mol2", "protac_path": "2133_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCCC3=CC=C(CN4CCN(C5=CC(C6=CC=CC=C6O)=NN=C5N)CC4)C=C3)=C2)SC=N1", "label": 1}, "3054": {"pro_comp_id": 2133, "tar_path": "SMARCA4_P51532.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "SMARCA4_P51532_94_lig_smina_out.mol2", "protac_path": "2133_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCCC3=CC=C(CN4CCN(C5=CC(C6=CC=CC=C6O)=NN=C5N)CC4)C=C3)=C2)SC=N1", "label": 1}, "3055": {"pro_comp_id": 2134, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_94_lig_smina_out.mol2", "protac_path": "2134_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCC3=CC=C(CN4CCN(C5=CC(C6=CC=CC=C6O)=NN=C5N)CC4)C(F)=C3)=C2)SC=N1", "label": 1}, "3056": {"pro_comp_id": 2134, "tar_path": "SMARCA4_P51532.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "SMARCA4_P51532_94_lig_smina_out.mol2", "protac_path": "2134_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCC3=CC=C(CN4CCN(C5=CC(C6=CC=CC=C6O)=NN=C5N)CC4)C(F)=C3)=C2)SC=N1", "label": 1}, "3057": {"pro_comp_id": 2135, "tar_path": "GSK3A_P49840.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GSK3A_P49840_221_lig_smina_out.mol2", "protac_path": "2135_protac.mol2", "smiles": "CC1=C(C)C(NC2=CC(NCCCNC(=O)CCCCCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=NC(NC3=CC=C(CC#N)C=C3)=N2)=N[NH]1", "label": 0}, "3058": {"pro_comp_id": 2135, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_221_lig_smina_out.mol2", "protac_path": "2135_protac.mol2", "smiles": "CC1=C(C)C(NC2=CC(NCCCNC(=O)CCCCCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=NC(NC3=CC=C(CC#N)C=C3)=N2)=N[NH]1", "label": 0}, "3059": {"pro_comp_id": 2136, "tar_path": "GSK3A_P49840.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GSK3A_P49840_229_lig_smina_out.mol2", "protac_path": "2136_protac.mol2", "smiles": "CCC1=C[NH]N=C1NC1=CC(NCCCNC(=O)CCCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC(NC2=CC=C(CC#N)C=C2)=N1", "label": 0}, "3060": {"pro_comp_id": 2136, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_229_lig_smina_out.mol2", "protac_path": "2136_protac.mol2", "smiles": "CCC1=C[NH]N=C1NC1=CC(NCCCNC(=O)CCCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC(NC2=CC=C(CC#N)C=C2)=N1", "label": 0}, "3061": {"pro_comp_id": 2137, "tar_path": "PLK4_O00444.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PLK4_O00444_247_lig_smina_out.mol2", "protac_path": "2137_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCC(=O)NCCCNC3=CC(NC4=N[NH]C(C5CC5)=C4)=NC(NC4=CC=C(CC#N)C=C4)=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3062": {"pro_comp_id": 2137, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AURKA_O14965_247_lig_smina_out.mol2", "protac_path": "2137_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCC(=O)NCCCNC3=CC(NC4=N[NH]C(C5CC5)=C4)=NC(NC4=CC=C(CC#N)C=C4)=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3063": {"pro_comp_id": 2137, "tar_path": "STK17B_O94768.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "STK17B_O94768_247_lig_smina_out.mol2", "protac_path": "2137_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCC(=O)NCCCNC3=CC(NC4=N[NH]C(C5CC5)=C4)=NC(NC4=CC=C(CC#N)C=C4)=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3064": {"pro_comp_id": 2137, "tar_path": "LATS1_O95835.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "LATS1_O95835_247_lig_smina_out.mol2", "protac_path": "2137_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCC(=O)NCCCNC3=CC(NC4=N[NH]C(C5CC5)=C4)=NC(NC4=CC=C(CC#N)C=C4)=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3065": {"pro_comp_id": 2137, "tar_path": "PAK4_O96013.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PAK4_O96013_247_lig_smina_out.mol2", "protac_path": "2137_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCC(=O)NCCCNC3=CC(NC4=N[NH]C(C5CC5)=C4)=NC(NC4=CC=C(CC#N)C=C4)=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3066": {"pro_comp_id": 2137, "tar_path": "EPHB2_P29323.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "EPHB2_P29323_247_lig_smina_out.mol2", "protac_path": "2137_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCC(=O)NCCCNC3=CC(NC4=N[NH]C(C5CC5)=C4)=NC(NC4=CC=C(CC#N)C=C4)=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3067": {"pro_comp_id": 2137, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_247_lig_smina_out.mol2", "protac_path": "2137_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCC(=O)NCCCNC3=CC(NC4=N[NH]C(C5CC5)=C4)=NC(NC4=CC=C(CC#N)C=C4)=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3068": {"pro_comp_id": 2137, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "CDK9_P50750_247_lig_smina_out.mol2", "protac_path": "2137_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCC(=O)NCCCNC3=CC(NC4=N[NH]C(C5CC5)=C4)=NC(NC4=CC=C(CC#N)C=C4)=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3069": {"pro_comp_id": 2137, "tar_path": "ITK_Q08881.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ITK_Q08881_247_lig_smina_out.mol2", "protac_path": "2137_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCC(=O)NCCCNC3=CC(NC4=N[NH]C(C5CC5)=C4)=NC(NC4=CC=C(CC#N)C=C4)=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3070": {"pro_comp_id": 2137, "tar_path": "MAP4K2_Q12851.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MAP4K2_Q12851_247_lig_smina_out.mol2", "protac_path": "2137_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCC(=O)NCCCNC3=CC(NC4=N[NH]C(C5CC5)=C4)=NC(NC4=CC=C(CC#N)C=C4)=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3071": {"pro_comp_id": 2137, "tar_path": "AAK1_Q2M2I8.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AAK1_Q2M2I8_247_lig_smina_out.mol2", "protac_path": "2137_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCC(=O)NCCCNC3=CC(NC4=N[NH]C(C5CC5)=C4)=NC(NC4=CC=C(CC#N)C=C4)=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3072": {"pro_comp_id": 2137, "tar_path": "NEK9_Q8TD19.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NEK9_Q8TD19_247_lig_smina_out.mol2", "protac_path": "2137_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCC(=O)NCCCNC3=CC(NC4=N[NH]C(C5CC5)=C4)=NC(NC4=CC=C(CC#N)C=C4)=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3073": {"pro_comp_id": 2137, "tar_path": "AURKB_Q96GD4.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AURKB_Q96GD4_247_lig_smina_out.mol2", "protac_path": "2137_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCC(=O)NCCCNC3=CC(NC4=N[NH]C(C5CC5)=C4)=NC(NC4=CC=C(CC#N)C=C4)=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3074": {"pro_comp_id": 2137, "tar_path": "BMP2K_Q9NSY1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BMP2K_Q9NSY1_247_lig_smina_out.mol2", "protac_path": "2137_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCC(=O)NCCCNC3=CC(NC4=N[NH]C(C5CC5)=C4)=NC(NC4=CC=C(CC#N)C=C4)=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3075": {"pro_comp_id": 2138, "tar_path": "PAK1_Q13153.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PAK1_Q13153_253_lig_smina_out.mol2", "protac_path": "2138_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCC(=O)N3CC[C@H](NC4=NC5=CC(F)=CC=C5N(CC(F)F)C5=CC=C(Cl)C=C45)C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "3076": {"pro_comp_id": 2138, "tar_path": "PAK1_Q13153.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PAK1_Q13153_253_lig_smina_out.mol2", "protac_path": "2138_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCC(=O)N3CC[C@H](NC4=NC5=CC(F)=CC=C5N(CC(F)F)C5=CC=C(Cl)C=C45)C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3079": {"pro_comp_id": 2139, "tar_path": "CDK8_P49336.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK8_P49336_265_lig_smina_out.mol2", "protac_path": "2139_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCN4C=C(C5=CC=C(C6=CN=CC(Cl)=C6N6CCC7(CCNC7=O)CC6)C=C5)C=N4)=C3C2=O)C(=O)N1", "label": 0}, "3080": {"pro_comp_id": 2139, "tar_path": "CDK19_Q9BWU1.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK19_Q9BWU1_265_lig_smina_out.mol2", "protac_path": "2139_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCN4C=C(C5=CC=C(C6=CN=CC(Cl)=C6N6CCC7(CCNC7=O)CC6)C=C5)C=N4)=C3C2=O)C(=O)N1", "label": 0}, "3081": {"pro_comp_id": 2140, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AURKA_O14965_207_lig_smina_out.mol2", "protac_path": "2140_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCN1CCC2=CC(NC3=NC=C(C4CC4)C(NCCCNC(=O)C4CCC4)=N3)=CC=C2C1", "label": -1}, "3082": {"pro_comp_id": 2140, "tar_path": "GAK_O14976.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GAK_O14976_207_lig_smina_out.mol2", "protac_path": "2140_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCN1CCC2=CC(NC3=NC=C(C4CC4)C(NCCCNC(=O)C4CCC4)=N3)=CC=C2C1", "label": -1}, "3083": {"pro_comp_id": 2140, "tar_path": "ULK1_O75385.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ULK1_O75385_207_lig_smina_out.mol2", "protac_path": "2140_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCN1CCC2=CC(NC3=NC=C(C4CC4)C(NCCCNC(=O)C4CCC4)=N3)=CC=C2C1", "label": -1}, "3084": {"pro_comp_id": 2140, "tar_path": "STK17B_O94768.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "STK17B_O94768_207_lig_smina_out.mol2", "protac_path": "2140_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCN1CCC2=CC(NC3=NC=C(C4CC4)C(NCCCNC(=O)C4CCC4)=N3)=CC=C2C1", "label": -1}, "3085": {"pro_comp_id": 2140, "tar_path": "MARK3_P27448.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MARK3_P27448_207_lig_smina_out.mol2", "protac_path": "2140_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCN1CCC2=CC(NC3=NC=C(C4CC4)C(NCCCNC(=O)C4CCC4)=N3)=CC=C2C1", "label": -1}, "3086": {"pro_comp_id": 2140, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "Wee1_P30291_207_lig_smina_out.mol2", "protac_path": "2140_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCN1CCC2=CC(NC3=NC=C(C4CC4)C(NCCCNC(=O)C4CCC4)=N3)=CC=C2C1", "label": -1}, "3087": {"pro_comp_id": 2140, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_207_lig_smina_out.mol2", "protac_path": "2140_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCN1CCC2=CC(NC3=NC=C(C4CC4)C(NCCCNC(=O)C4CCC4)=N3)=CC=C2C1", "label": -1}, "3088": {"pro_comp_id": 2140, "tar_path": "CDK10_Q15131.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK10_Q15131_207_lig_smina_out.mol2", "protac_path": "2140_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCN1CCC2=CC(NC3=NC=C(C4CC4)C(NCCCNC(=O)C4CCC4)=N3)=CC=C2C1", "label": -1}, "3089": {"pro_comp_id": 2140, "tar_path": "AAK1_Q2M2I8.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AAK1_Q2M2I8_207_lig_smina_out.mol2", "protac_path": "2140_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCN1CCC2=CC(NC3=NC=C(C4CC4)C(NCCCNC(=O)C4CCC4)=N3)=CC=C2C1", "label": -1}, "3090": {"pro_comp_id": 2140, "tar_path": "MARK2_Q7KZI7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MARK2_Q7KZI7_207_lig_smina_out.mol2", "protac_path": "2140_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCN1CCC2=CC(NC3=NC=C(C4CC4)C(NCCCNC(=O)C4CCC4)=N3)=CC=C2C1", "label": -1}, "3091": {"pro_comp_id": 2140, "tar_path": "AURKB_Q96GD4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AURKB_Q96GD4_207_lig_smina_out.mol2", "protac_path": "2140_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCN1CCC2=CC(NC3=NC=C(C4CC4)C(NCCCNC(=O)C4CCC4)=N3)=CC=C2C1", "label": -1}, "3092": {"pro_comp_id": 2140, "tar_path": "MARK4_Q96L34.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MARK4_Q96L34_207_lig_smina_out.mol2", "protac_path": "2140_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCN1CCC2=CC(NC3=NC=C(C4CC4)C(NCCCNC(=O)C4CCC4)=N3)=CC=C2C1", "label": -1}, "3093": {"pro_comp_id": 2140, "tar_path": "SIK2_Q9H0K1.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "SIK2_Q9H0K1_207_lig_smina_out.mol2", "protac_path": "2140_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCN1CCC2=CC(NC3=NC=C(C4CC4)C(NCCCNC(=O)C4CCC4)=N3)=CC=C2C1", "label": -1}, "3094": {"pro_comp_id": 2140, "tar_path": "SNRK_Q9NRH2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "SNRK_Q9NRH2_207_lig_smina_out.mol2", "protac_path": "2140_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCN1CCC2=CC(NC3=NC=C(C4CC4)C(NCCCNC(=O)C4CCC4)=N3)=CC=C2C1", "label": -1}, "3095": {"pro_comp_id": 2140, "tar_path": "BMP2K_Q9NSY1.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BMP2K_Q9NSY1_207_lig_smina_out.mol2", "protac_path": "2140_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCN1CCC2=CC(NC3=NC=C(C4CC4)C(NCCCNC(=O)C4CCC4)=N3)=CC=C2C1", "label": -1}, "3096": {"pro_comp_id": 2140, "tar_path": "STK17A_Q9UEE5.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "STK17A_Q9UEE5_207_lig_smina_out.mol2", "protac_path": "2140_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCN1CCC2=CC(NC3=NC=C(C4CC4)C(NCCCNC(=O)C4CCC4)=N3)=CC=C2C1", "label": -1}, "3097": {"pro_comp_id": 2141, "tar_path": "GAK_O14976.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "GAK_O14976_207_lig_smina_out.mol2", "protac_path": "2141_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3CCC4=CC(NC5=NC=C(C6CC6)C(NCCCNC(=O)C6CCC6)=N5)=CC=C4C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3098": {"pro_comp_id": 2141, "tar_path": "ULK1_O75385.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ULK1_O75385_207_lig_smina_out.mol2", "protac_path": "2141_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3CCC4=CC(NC5=NC=C(C6CC6)C(NCCCNC(=O)C6CCC6)=N5)=CC=C4C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3099": {"pro_comp_id": 2141, "tar_path": "STK17B_O94768.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "STK17B_O94768_207_lig_smina_out.mol2", "protac_path": "2141_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3CCC4=CC(NC5=NC=C(C6CC6)C(NCCCNC(=O)C6CCC6)=N5)=CC=C4C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3100": {"pro_comp_id": 2141, "tar_path": "RPS6KB1_P23443.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "RPS6KB1_P23443_207_lig_smina_out.mol2", "protac_path": "2141_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3CCC4=CC(NC5=NC=C(C6CC6)C(NCCCNC(=O)C6CCC6)=N5)=CC=C4C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3101": {"pro_comp_id": 2141, "tar_path": "MARK3_P27448.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MARK3_P27448_207_lig_smina_out.mol2", "protac_path": "2141_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3CCC4=CC(NC5=NC=C(C6CC6)C(NCCCNC(=O)C6CCC6)=N5)=CC=C4C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3102": {"pro_comp_id": 2141, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "Wee1_P30291_207_lig_smina_out.mol2", "protac_path": "2141_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3CCC4=CC(NC5=NC=C(C6CC6)C(NCCCNC(=O)C6CCC6)=N5)=CC=C4C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3103": {"pro_comp_id": 2141, "tar_path": "AAK1_Q2M2I8.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AAK1_Q2M2I8_207_lig_smina_out.mol2", "protac_path": "2141_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3CCC4=CC(NC5=NC=C(C6CC6)C(NCCCNC(=O)C6CCC6)=N5)=CC=C4C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3104": {"pro_comp_id": 2141, "tar_path": "MARK2_Q7KZI7.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MARK2_Q7KZI7_207_lig_smina_out.mol2", "protac_path": "2141_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3CCC4=CC(NC5=NC=C(C6CC6)C(NCCCNC(=O)C6CCC6)=N5)=CC=C4C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3105": {"pro_comp_id": 2141, "tar_path": "MARK4_Q96L34.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MARK4_Q96L34_207_lig_smina_out.mol2", "protac_path": "2141_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3CCC4=CC(NC5=NC=C(C6CC6)C(NCCCNC(=O)C6CCC6)=N5)=CC=C4C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3106": {"pro_comp_id": 2141, "tar_path": "SIK2_Q9H0K1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SIK2_Q9H0K1_207_lig_smina_out.mol2", "protac_path": "2141_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3CCC4=CC(NC5=NC=C(C6CC6)C(NCCCNC(=O)C6CCC6)=N5)=CC=C4C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3107": {"pro_comp_id": 2141, "tar_path": "SNRK_Q9NRH2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SNRK_Q9NRH2_207_lig_smina_out.mol2", "protac_path": "2141_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3CCC4=CC(NC5=NC=C(C6CC6)C(NCCCNC(=O)C6CCC6)=N5)=CC=C4C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3108": {"pro_comp_id": 2141, "tar_path": "STK17A_Q9UEE5.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "STK17A_Q9UEE5_207_lig_smina_out.mol2", "protac_path": "2141_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3CCC4=CC(NC5=NC=C(C6CC6)C(NCCCNC(=O)C6CCC6)=N5)=CC=C4C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3109": {"pro_comp_id": 2141, "tar_path": "SIK3_Q9Y2K2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SIK3_Q9Y2K2_207_lig_smina_out.mol2", "protac_path": "2141_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3CCC4=CC(NC5=NC=C(C6CC6)C(NCCCNC(=O)C6CCC6)=N5)=CC=C4C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3110": {"pro_comp_id": 2142, "tar_path": "ABL1_P00519.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ABL1_P00519_260_lig_smina_out.mol2", "protac_path": "2142_protac.mol2", "smiles": "O=C(CNC(=O)C1=CC=CC(C2=CC(NC3=CC=C(OC(F)(F)F)C=C3)=NC=N2)=C1)NCCCOCCOCCOCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 0}, "3111": {"pro_comp_id": 2143, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "Wee1_P30291_48_lig_smina_out.mol2", "protac_path": "2143_protac.mol2", "smiles": "CC1=NC(NC2=NC=C(C(=O)NC3=C(C)C=CC=C3Cl)S2)=CC(N2CCN(CC(=O)NCCCOCCOCCOCCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=N1", "label": -1}, "3112": {"pro_comp_id": 2143, "tar_path": "CSK_P41240.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CSK_P41240_48_lig_smina_out.mol2", "protac_path": "2143_protac.mol2", "smiles": "CC1=NC(NC2=NC=C(C(=O)NC3=C(C)C=CC=C3Cl)S2)=CC(N2CCN(CC(=O)NCCCOCCOCCOCCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=N1", "label": -1}, "3113": {"pro_comp_id": 2143, "tar_path": "ABL2_P42684.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ABL2_P42684_48_lig_smina_out.mol2", "protac_path": "2143_protac.mol2", "smiles": "CC1=NC(NC2=NC=C(C(=O)NC3=C(C)C=CC=C3Cl)S2)=CC(N2CCN(CC(=O)NCCCOCCOCCOCCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=N1", "label": -1}, "3114": {"pro_comp_id": 2143, "tar_path": "BLK_P51451.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BLK_P51451_48_lig_smina_out.mol2", "protac_path": "2143_protac.mol2", "smiles": "CC1=NC(NC2=NC=C(C(=O)NC3=C(C)C=CC=C3Cl)S2)=CC(N2CCN(CC(=O)NCCCOCCOCCOCCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=N1", "label": -1}, "3115": {"pro_comp_id": 2144, "tar_path": "PLK4_O00444.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PLK4_O00444_210_lig_smina_out.mol2", "protac_path": "2144_protac.mol2", "smiles": "CS(=O)(=O)NC1=CC=CC(C2=CSC3=CN=C(NC4=CC=C(N5CCN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)N=C23)=C1", "label": -1}, "3116": {"pro_comp_id": 2144, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AURKA_O14965_210_lig_smina_out.mol2", "protac_path": "2144_protac.mol2", "smiles": "CS(=O)(=O)NC1=CC=CC(C2=CSC3=CN=C(NC4=CC=C(N5CCN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)N=C23)=C1", "label": -1}, "3117": {"pro_comp_id": 2144, "tar_path": "GAK_O14976.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GAK_O14976_210_lig_smina_out.mol2", "protac_path": "2144_protac.mol2", "smiles": "CS(=O)(=O)NC1=CC=CC(C2=CSC3=CN=C(NC4=CC=C(N5CCN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)N=C23)=C1", "label": -1}, "3118": {"pro_comp_id": 2144, "tar_path": "ULK1_O75385.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ULK1_O75385_210_lig_smina_out.mol2", "protac_path": "2144_protac.mol2", "smiles": "CS(=O)(=O)NC1=CC=CC(C2=CSC3=CN=C(NC4=CC=C(N5CCN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)N=C23)=C1", "label": -1}, "3119": {"pro_comp_id": 2144, "tar_path": "STK17B_O94768.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "STK17B_O94768_210_lig_smina_out.mol2", "protac_path": "2144_protac.mol2", "smiles": "CS(=O)(=O)NC1=CC=CC(C2=CSC3=CN=C(NC4=CC=C(N5CCN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)N=C23)=C1", "label": -1}, "3120": {"pro_comp_id": 2144, "tar_path": "LCK_P06239.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "LCK_P06239_210_lig_smina_out.mol2", "protac_path": "2144_protac.mol2", "smiles": "CS(=O)(=O)NC1=CC=CC(C2=CSC3=CN=C(NC4=CC=C(N5CCN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)N=C23)=C1", "label": -1}, "3121": {"pro_comp_id": 2144, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK4_P11802_210_lig_smina_out.mol2", "protac_path": "2144_protac.mol2", "smiles": "CS(=O)(=O)NC1=CC=CC(C2=CSC3=CN=C(NC4=CC=C(N5CCN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)N=C23)=C1", "label": -1}, "3122": {"pro_comp_id": 2144, "tar_path": "FER_P16591.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FER_P16591_210_lig_smina_out.mol2", "protac_path": "2144_protac.mol2", "smiles": "CS(=O)(=O)NC1=CC=CC(C2=CSC3=CN=C(NC4=CC=C(N5CCN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)N=C23)=C1", "label": -1}, "3123": {"pro_comp_id": 2144, "tar_path": "EIF2AK2_P19525.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EIF2AK2_P19525_210_lig_smina_out.mol2", "protac_path": "2144_protac.mol2", "smiles": "CS(=O)(=O)NC1=CC=CC(C2=CSC3=CN=C(NC4=CC=C(N5CCN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)N=C23)=C1", "label": -1}, "3124": {"pro_comp_id": 2144, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "Wee1_P30291_210_lig_smina_out.mol2", "protac_path": "2144_protac.mol2", "smiles": "CS(=O)(=O)NC1=CC=CC(C2=CSC3=CN=C(NC4=CC=C(N5CCN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)N=C23)=C1", "label": -1}, "3125": {"pro_comp_id": 2144, "tar_path": "MAPK8_P45983.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MAPK8_P45983_210_lig_smina_out.mol2", "protac_path": "2144_protac.mol2", "smiles": "CS(=O)(=O)NC1=CC=CC(C2=CSC3=CN=C(NC4=CC=C(N5CCN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)N=C23)=C1", "label": -1}, "3126": {"pro_comp_id": 2144, "tar_path": "MAPK9_P45984.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MAPK9_P45984_210_lig_smina_out.mol2", "protac_path": "2144_protac.mol2", "smiles": "CS(=O)(=O)NC1=CC=CC(C2=CSC3=CN=C(NC4=CC=C(N5CCN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)N=C23)=C1", "label": -1}, "3127": {"pro_comp_id": 2144, "tar_path": "LIMK2_P53671.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "LIMK2_P53671_210_lig_smina_out.mol2", "protac_path": "2144_protac.mol2", "smiles": "CS(=O)(=O)NC1=CC=CC(C2=CSC3=CN=C(NC4=CC=C(N5CCN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)N=C23)=C1", "label": -1}, "3128": {"pro_comp_id": 2144, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK6_Q00534_210_lig_smina_out.mol2", "protac_path": "2144_protac.mol2", "smiles": "CS(=O)(=O)NC1=CC=CC(C2=CSC3=CN=C(NC4=CC=C(N5CCN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)N=C23)=C1", "label": -1}, "3129": {"pro_comp_id": 2144, "tar_path": "CDK16_Q00536.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK16_Q00536_210_lig_smina_out.mol2", "protac_path": "2144_protac.mol2", "smiles": "CS(=O)(=O)NC1=CC=CC(C2=CSC3=CN=C(NC4=CC=C(N5CCN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)N=C23)=C1", "label": -1}, "3130": {"pro_comp_id": 2144, "tar_path": "PTK2B_Q14289.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PTK2B_Q14289_210_lig_smina_out.mol2", "protac_path": "2144_protac.mol2", "smiles": "CS(=O)(=O)NC1=CC=CC(C2=CSC3=CN=C(NC4=CC=C(N5CCN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)N=C23)=C1", "label": -1}, "3131": {"pro_comp_id": 2144, "tar_path": "MAP3K11_Q16584.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MAP3K11_Q16584_210_lig_smina_out.mol2", "protac_path": "2144_protac.mol2", "smiles": "CS(=O)(=O)NC1=CC=CC(C2=CSC3=CN=C(NC4=CC=C(N5CCN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)N=C23)=C1", "label": -1}, "3132": {"pro_comp_id": 2144, "tar_path": "AAK1_Q2M2I8.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AAK1_Q2M2I8_210_lig_smina_out.mol2", "protac_path": "2144_protac.mol2", "smiles": "CS(=O)(=O)NC1=CC=CC(C2=CSC3=CN=C(NC4=CC=C(N5CCN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)N=C23)=C1", "label": -1}, "3133": {"pro_comp_id": 2144, "tar_path": "ULK3_Q6PHR2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ULK3_Q6PHR2_210_lig_smina_out.mol2", "protac_path": "2144_protac.mol2", "smiles": "CS(=O)(=O)NC1=CC=CC(C2=CSC3=CN=C(NC4=CC=C(N5CCN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)N=C23)=C1", "label": -1}, "3134": {"pro_comp_id": 2144, "tar_path": "CAMKK1_Q8N5S9.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CAMKK1_Q8N5S9_210_lig_smina_out.mol2", "protac_path": "2144_protac.mol2", "smiles": "CS(=O)(=O)NC1=CC=CC(C2=CSC3=CN=C(NC4=CC=C(N5CCN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)N=C23)=C1", "label": -1}, "3135": {"pro_comp_id": 2144, "tar_path": "NEK9_Q8TD19.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "NEK9_Q8TD19_210_lig_smina_out.mol2", "protac_path": "2144_protac.mol2", "smiles": "CS(=O)(=O)NC1=CC=CC(C2=CSC3=CN=C(NC4=CC=C(N5CCN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)N=C23)=C1", "label": -1}, "3136": {"pro_comp_id": 2144, "tar_path": "SIK2_Q9H0K1.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "SIK2_Q9H0K1_210_lig_smina_out.mol2", "protac_path": "2144_protac.mol2", "smiles": "CS(=O)(=O)NC1=CC=CC(C2=CSC3=CN=C(NC4=CC=C(N5CCN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)N=C23)=C1", "label": -1}, "3137": {"pro_comp_id": 2144, "tar_path": "BMP2K_Q9NSY1.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BMP2K_Q9NSY1_210_lig_smina_out.mol2", "protac_path": "2144_protac.mol2", "smiles": "CS(=O)(=O)NC1=CC=CC(C2=CSC3=CN=C(NC4=CC=C(N5CCN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)N=C23)=C1", "label": -1}, "3138": {"pro_comp_id": 2144, "tar_path": "STK17A_Q9UEE5.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "STK17A_Q9UEE5_210_lig_smina_out.mol2", "protac_path": "2144_protac.mol2", "smiles": "CS(=O)(=O)NC1=CC=CC(C2=CSC3=CN=C(NC4=CC=C(N5CCN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)N=C23)=C1", "label": -1}, "3139": {"pro_comp_id": 2145, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AURKA_O14965_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3140": {"pro_comp_id": 2145, "tar_path": "GAK_O14976.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GAK_O14976_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3141": {"pro_comp_id": 2145, "tar_path": "EPHB6_O15197.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EPHB6_O15197_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3142": {"pro_comp_id": 2145, "tar_path": "RIPK2_O43353.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "RIPK2_O43353_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3143": {"pro_comp_id": 2145, "tar_path": "BUB1_O43683.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BUB1_O43683_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3144": {"pro_comp_id": 2145, "tar_path": "ULK1_O75385.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ULK1_O75385_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3145": {"pro_comp_id": 2145, "tar_path": "LATS1_O95835.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "LATS1_O95835_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3146": {"pro_comp_id": 2145, "tar_path": "LCK_P06239.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "LCK_P06239_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3147": {"pro_comp_id": 2145, "tar_path": "FYN_P06241.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FYN_P06241_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3148": {"pro_comp_id": 2145, "tar_path": "YES1_P07947.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "YES1_P07947_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3149": {"pro_comp_id": 2145, "tar_path": "LYN_P07948.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "LYN_P07948_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3150": {"pro_comp_id": 2145, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK4_P11802_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3151": {"pro_comp_id": 2145, "tar_path": "Src_P12931.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "Src_P12931_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3152": {"pro_comp_id": 2145, "tar_path": "FER_P16591.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FER_P16591_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3153": {"pro_comp_id": 2145, "tar_path": "CDK11B_P21127.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK11B_P21127_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3154": {"pro_comp_id": 2145, "tar_path": "EPHA3_P29320.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EPHA3_P29320_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3155": {"pro_comp_id": 2145, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "Wee1_P30291_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3156": {"pro_comp_id": 2145, "tar_path": "TTK_P33981.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "TTK_P33981_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3157": {"pro_comp_id": 2145, "tar_path": "CSK_P41240.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CSK_P41240_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3158": {"pro_comp_id": 2145, "tar_path": "TEC_P42680.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "TEC_P42680_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3159": {"pro_comp_id": 2145, "tar_path": "ABL2_P42684.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ABL2_P42684_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3160": {"pro_comp_id": 2145, "tar_path": "MAPK8_P45983.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MAPK8_P45983_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3161": {"pro_comp_id": 2145, "tar_path": "MAPK9_P45984.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MAPK9_P45984_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3162": {"pro_comp_id": 2145, "tar_path": "MAPKAPK2_P49137.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MAPKAPK2_P49137_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3163": {"pro_comp_id": 2145, "tar_path": "BLK_P51451.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BLK_P51451_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3164": {"pro_comp_id": 2145, "tar_path": "RPS6KA3_P51812.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "RPS6KA3_P51812_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3165": {"pro_comp_id": 2145, "tar_path": "PLK1_P53350.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PLK1_P53350_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3166": {"pro_comp_id": 2145, "tar_path": "LIMK1_P53667.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "LIMK1_P53667_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3167": {"pro_comp_id": 2145, "tar_path": "LIMK2_P53671.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "LIMK2_P53671_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3168": {"pro_comp_id": 2145, "tar_path": "MAPK12_P53778.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MAPK12_P53778_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3169": {"pro_comp_id": 2145, "tar_path": "EPHB3_P54753.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EPHB3_P54753_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3170": {"pro_comp_id": 2145, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FAK_Q05397_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3171": {"pro_comp_id": 2145, "tar_path": "TNK2_Q07912.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "TNK2_Q07912_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3172": {"pro_comp_id": 2145, "tar_path": "MAP4K2_Q12851.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MAP4K2_Q12851_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3173": {"pro_comp_id": 2145, "tar_path": "MAP3K1_Q13233.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MAP3K1_Q13233_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3174": {"pro_comp_id": 2145, "tar_path": "RIPK1_Q13546.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "RIPK1_Q13546_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3175": {"pro_comp_id": 2145, "tar_path": "PTK2B_Q14289.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PTK2B_Q14289_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3176": {"pro_comp_id": 2145, "tar_path": "RPS6KA1_Q15418.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "RPS6KA1_Q15418_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3177": {"pro_comp_id": 2145, "tar_path": "p38beta_Q15759.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "p38beta_Q15759_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3178": {"pro_comp_id": 2145, "tar_path": "p38alpha_Q16539.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "p38alpha_Q16539_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3179": {"pro_comp_id": 2145, "tar_path": "MAP3K11_Q16584.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MAP3K11_Q16584_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3180": {"pro_comp_id": 2145, "tar_path": "DDR2_Q16832.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "DDR2_Q16832_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3181": {"pro_comp_id": 2145, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "LRRK2_Q5S007_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3182": {"pro_comp_id": 2145, "tar_path": "UHMK1_Q8TAS1.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "UHMK1_Q8TAS1_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3183": {"pro_comp_id": 2145, "tar_path": "MAP4K1_Q92918.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MAP4K1_Q92918_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3184": {"pro_comp_id": 2145, "tar_path": "SIK2_Q9H0K1.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "SIK2_Q9H0K1_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3185": {"pro_comp_id": 2145, "tar_path": "MKNK2_Q9HBH9.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MKNK2_Q9HBH9_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3186": {"pro_comp_id": 2145, "tar_path": "MAP3K20_Q9NYL2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MAP3K20_Q9NYL2_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3187": {"pro_comp_id": 2145, "tar_path": "NLK_Q9UBE8.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "NLK_Q9UBE8_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3188": {"pro_comp_id": 2145, "tar_path": "TAOK2_Q9UL54.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "TAOK2_Q9UL54_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3189": {"pro_comp_id": 2145, "tar_path": "CDK11A_Q9UQ88.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK11A_Q9UQ88_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3190": {"pro_comp_id": 2145, "tar_path": "MAP4K5_Q9Y4K4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MAP4K5_Q9Y4K4_222_lig_smina_out.mol2", "protac_path": "2145_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3191": {"pro_comp_id": 2146, "tar_path": "LCK_P06239.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "LCK_P06239_222_lig_smina_out.mol2", "protac_path": "2146_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3192": {"pro_comp_id": 2146, "tar_path": "YES1_P07947.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "YES1_P07947_222_lig_smina_out.mol2", "protac_path": "2146_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3193": {"pro_comp_id": 2146, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK4_P11802_222_lig_smina_out.mol2", "protac_path": "2146_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3194": {"pro_comp_id": 2146, "tar_path": "Src_P12931.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "Src_P12931_222_lig_smina_out.mol2", "protac_path": "2146_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3195": {"pro_comp_id": 2146, "tar_path": "FER_P16591.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FER_P16591_222_lig_smina_out.mol2", "protac_path": "2146_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3196": {"pro_comp_id": 2146, "tar_path": "CSK_P41240.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CSK_P41240_222_lig_smina_out.mol2", "protac_path": "2146_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3197": {"pro_comp_id": 2146, "tar_path": "MAPK8_P45983.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MAPK8_P45983_222_lig_smina_out.mol2", "protac_path": "2146_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3198": {"pro_comp_id": 2146, "tar_path": "MAPK9_P45984.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MAPK9_P45984_222_lig_smina_out.mol2", "protac_path": "2146_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3199": {"pro_comp_id": 2146, "tar_path": "CLK1_P49759.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CLK1_P49759_222_lig_smina_out.mol2", "protac_path": "2146_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3200": {"pro_comp_id": 2146, "tar_path": "BLK_P51451.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BLK_P51451_222_lig_smina_out.mol2", "protac_path": "2146_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3201": {"pro_comp_id": 2146, "tar_path": "PLK1_P53350.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PLK1_P53350_222_lig_smina_out.mol2", "protac_path": "2146_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3202": {"pro_comp_id": 2146, "tar_path": "LIMK1_P53667.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "LIMK1_P53667_222_lig_smina_out.mol2", "protac_path": "2146_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3203": {"pro_comp_id": 2146, "tar_path": "TNK2_Q07912.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "TNK2_Q07912_222_lig_smina_out.mol2", "protac_path": "2146_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3204": {"pro_comp_id": 2146, "tar_path": "PTK2B_Q14289.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PTK2B_Q14289_222_lig_smina_out.mol2", "protac_path": "2146_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3205": {"pro_comp_id": 2146, "tar_path": "UHMK1_Q8TAS1.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "UHMK1_Q8TAS1_222_lig_smina_out.mol2", "protac_path": "2146_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3206": {"pro_comp_id": 2146, "tar_path": "SIK2_Q9H0K1.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "SIK2_Q9H0K1_222_lig_smina_out.mol2", "protac_path": "2146_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3207": {"pro_comp_id": 2146, "tar_path": "MKNK2_Q9HBH9.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MKNK2_Q9HBH9_222_lig_smina_out.mol2", "protac_path": "2146_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3208": {"pro_comp_id": 2147, "tar_path": "GAK_O14976.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GAK_O14976_222_lig_smina_out.mol2", "protac_path": "2147_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3209": {"pro_comp_id": 2147, "tar_path": "EPHB6_O15197.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EPHB6_O15197_222_lig_smina_out.mol2", "protac_path": "2147_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3210": {"pro_comp_id": 2147, "tar_path": "BUB1_O43683.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BUB1_O43683_222_lig_smina_out.mol2", "protac_path": "2147_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3211": {"pro_comp_id": 2147, "tar_path": "ULK1_O75385.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ULK1_O75385_222_lig_smina_out.mol2", "protac_path": "2147_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3212": {"pro_comp_id": 2147, "tar_path": "PAK4_O96013.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PAK4_O96013_222_lig_smina_out.mol2", "protac_path": "2147_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3213": {"pro_comp_id": 2147, "tar_path": "ABL1_P00519.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ABL1_P00519_222_lig_smina_out.mol2", "protac_path": "2147_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3214": {"pro_comp_id": 2147, "tar_path": "LCK_P06239.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "LCK_P06239_222_lig_smina_out.mol2", "protac_path": "2147_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3215": {"pro_comp_id": 2147, "tar_path": "FYN_P06241.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FYN_P06241_222_lig_smina_out.mol2", "protac_path": "2147_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3216": {"pro_comp_id": 2147, "tar_path": "YES1_P07947.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "YES1_P07947_222_lig_smina_out.mol2", "protac_path": "2147_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3217": {"pro_comp_id": 2147, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK4_P11802_222_lig_smina_out.mol2", "protac_path": "2147_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3218": {"pro_comp_id": 2147, "tar_path": "Src_P12931.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "Src_P12931_222_lig_smina_out.mol2", "protac_path": "2147_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3219": {"pro_comp_id": 2147, "tar_path": "FER_P16591.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FER_P16591_222_lig_smina_out.mol2", "protac_path": "2147_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3220": {"pro_comp_id": 2147, "tar_path": "CDK11B_P21127.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK11B_P21127_222_lig_smina_out.mol2", "protac_path": "2147_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3221": {"pro_comp_id": 2147, "tar_path": "CSK_P41240.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CSK_P41240_222_lig_smina_out.mol2", "protac_path": "2147_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3222": {"pro_comp_id": 2147, "tar_path": "ABL2_P42684.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ABL2_P42684_222_lig_smina_out.mol2", "protac_path": "2147_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3223": {"pro_comp_id": 2147, "tar_path": "MAPK8_P45983.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MAPK8_P45983_222_lig_smina_out.mol2", "protac_path": "2147_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3224": {"pro_comp_id": 2147, "tar_path": "MAPK9_P45984.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MAPK9_P45984_222_lig_smina_out.mol2", "protac_path": "2147_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3225": {"pro_comp_id": 2147, "tar_path": "MAPKAPK2_P49137.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MAPKAPK2_P49137_222_lig_smina_out.mol2", "protac_path": "2147_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3226": {"pro_comp_id": 2147, "tar_path": "BLK_P51451.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BLK_P51451_222_lig_smina_out.mol2", "protac_path": "2147_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3227": {"pro_comp_id": 2147, "tar_path": "RPS6KA3_P51812.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "RPS6KA3_P51812_222_lig_smina_out.mol2", "protac_path": "2147_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3228": {"pro_comp_id": 2147, "tar_path": "LIMK1_P53667.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "LIMK1_P53667_222_lig_smina_out.mol2", "protac_path": "2147_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3229": {"pro_comp_id": 2147, "tar_path": "TNK2_Q07912.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "TNK2_Q07912_222_lig_smina_out.mol2", "protac_path": "2147_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3230": {"pro_comp_id": 2147, "tar_path": "MAP3K1_Q13233.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MAP3K1_Q13233_222_lig_smina_out.mol2", "protac_path": "2147_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3231": {"pro_comp_id": 2147, "tar_path": "PTK2B_Q14289.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PTK2B_Q14289_222_lig_smina_out.mol2", "protac_path": "2147_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3232": {"pro_comp_id": 2147, "tar_path": "RPS6KA1_Q15418.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "RPS6KA1_Q15418_222_lig_smina_out.mol2", "protac_path": "2147_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3233": {"pro_comp_id": 2147, "tar_path": "p38alpha_Q16539.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "p38alpha_Q16539_222_lig_smina_out.mol2", "protac_path": "2147_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3234": {"pro_comp_id": 2147, "tar_path": "MAP3K11_Q16584.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MAP3K11_Q16584_222_lig_smina_out.mol2", "protac_path": "2147_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3235": {"pro_comp_id": 2147, "tar_path": "PDIK1L_Q8N165.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PDIK1L_Q8N165_222_lig_smina_out.mol2", "protac_path": "2147_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3236": {"pro_comp_id": 2147, "tar_path": "UHMK1_Q8TAS1.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "UHMK1_Q8TAS1_222_lig_smina_out.mol2", "protac_path": "2147_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3237": {"pro_comp_id": 2147, "tar_path": "MAP4K1_Q92918.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MAP4K1_Q92918_222_lig_smina_out.mol2", "protac_path": "2147_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3238": {"pro_comp_id": 2147, "tar_path": "SIK2_Q9H0K1.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "SIK2_Q9H0K1_222_lig_smina_out.mol2", "protac_path": "2147_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3239": {"pro_comp_id": 2147, "tar_path": "MKNK2_Q9HBH9.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MKNK2_Q9HBH9_222_lig_smina_out.mol2", "protac_path": "2147_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3240": {"pro_comp_id": 2147, "tar_path": "MAP3K20_Q9NYL2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MAP3K20_Q9NYL2_222_lig_smina_out.mol2", "protac_path": "2147_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3241": {"pro_comp_id": 2148, "tar_path": "GAK_O14976.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GAK_O14976_222_lig_smina_out.mol2", "protac_path": "2148_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3242": {"pro_comp_id": 2148, "tar_path": "LCK_P06239.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "LCK_P06239_222_lig_smina_out.mol2", "protac_path": "2148_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3243": {"pro_comp_id": 2148, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK4_P11802_222_lig_smina_out.mol2", "protac_path": "2148_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3244": {"pro_comp_id": 2148, "tar_path": "Src_P12931.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "Src_P12931_222_lig_smina_out.mol2", "protac_path": "2148_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3245": {"pro_comp_id": 2148, "tar_path": "FER_P16591.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FER_P16591_222_lig_smina_out.mol2", "protac_path": "2148_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3246": {"pro_comp_id": 2148, "tar_path": "CSK_P41240.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CSK_P41240_222_lig_smina_out.mol2", "protac_path": "2148_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3247": {"pro_comp_id": 2148, "tar_path": "ABL2_P42684.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ABL2_P42684_222_lig_smina_out.mol2", "protac_path": "2148_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3248": {"pro_comp_id": 2148, "tar_path": "MAPK9_P45984.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MAPK9_P45984_222_lig_smina_out.mol2", "protac_path": "2148_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3249": {"pro_comp_id": 2148, "tar_path": "BLK_P51451.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BLK_P51451_222_lig_smina_out.mol2", "protac_path": "2148_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3250": {"pro_comp_id": 2148, "tar_path": "LIMK2_P53671.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "LIMK2_P53671_222_lig_smina_out.mol2", "protac_path": "2148_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3251": {"pro_comp_id": 2148, "tar_path": "TNK2_Q07912.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "TNK2_Q07912_222_lig_smina_out.mol2", "protac_path": "2148_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3252": {"pro_comp_id": 2148, "tar_path": "MAP4K2_Q12851.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MAP4K2_Q12851_222_lig_smina_out.mol2", "protac_path": "2148_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3253": {"pro_comp_id": 2148, "tar_path": "PTK2B_Q14289.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PTK2B_Q14289_222_lig_smina_out.mol2", "protac_path": "2148_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3254": {"pro_comp_id": 2148, "tar_path": "p38alpha_Q16539.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "p38alpha_Q16539_222_lig_smina_out.mol2", "protac_path": "2148_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3255": {"pro_comp_id": 2148, "tar_path": "SIK2_Q9H0K1.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "SIK2_Q9H0K1_222_lig_smina_out.mol2", "protac_path": "2148_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3256": {"pro_comp_id": 2148, "tar_path": "MKNK2_Q9HBH9.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MKNK2_Q9HBH9_222_lig_smina_out.mol2", "protac_path": "2148_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3257": {"pro_comp_id": 2148, "tar_path": "MAP3K20_Q9NYL2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MAP3K20_Q9NYL2_222_lig_smina_out.mol2", "protac_path": "2148_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3258": {"pro_comp_id": 2149, "tar_path": "GAK_O14976.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "GAK_O14976_222_lig_smina_out.mol2", "protac_path": "2149_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3259": {"pro_comp_id": 2149, "tar_path": "ULK1_O75385.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ULK1_O75385_222_lig_smina_out.mol2", "protac_path": "2149_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3260": {"pro_comp_id": 2149, "tar_path": "ABL1_P00519.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ABL1_P00519_222_lig_smina_out.mol2", "protac_path": "2149_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3261": {"pro_comp_id": 2149, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "CDK4_P11802_222_lig_smina_out.mol2", "protac_path": "2149_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3262": {"pro_comp_id": 2149, "tar_path": "FER_P16591.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "FER_P16591_222_lig_smina_out.mol2", "protac_path": "2149_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3263": {"pro_comp_id": 2149, "tar_path": "CDK11B_P21127.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "CDK11B_P21127_222_lig_smina_out.mol2", "protac_path": "2149_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3264": {"pro_comp_id": 2149, "tar_path": "EPHA3_P29320.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "EPHA3_P29320_222_lig_smina_out.mol2", "protac_path": "2149_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3265": {"pro_comp_id": 2149, "tar_path": "CSK_P41240.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "CSK_P41240_222_lig_smina_out.mol2", "protac_path": "2149_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3266": {"pro_comp_id": 2149, "tar_path": "ABL2_P42684.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ABL2_P42684_222_lig_smina_out.mol2", "protac_path": "2149_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3267": {"pro_comp_id": 2149, "tar_path": "MAPK8_P45983.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MAPK8_P45983_222_lig_smina_out.mol2", "protac_path": "2149_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3268": {"pro_comp_id": 2149, "tar_path": "MAPK9_P45984.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MAPK9_P45984_222_lig_smina_out.mol2", "protac_path": "2149_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3269": {"pro_comp_id": 2149, "tar_path": "MAPKAPK2_P49137.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MAPKAPK2_P49137_222_lig_smina_out.mol2", "protac_path": "2149_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3270": {"pro_comp_id": 2149, "tar_path": "BLK_P51451.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BLK_P51451_222_lig_smina_out.mol2", "protac_path": "2149_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3271": {"pro_comp_id": 2149, "tar_path": "RPS6KA3_P51812.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "RPS6KA3_P51812_222_lig_smina_out.mol2", "protac_path": "2149_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3272": {"pro_comp_id": 2149, "tar_path": "LIMK1_P53667.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "LIMK1_P53667_222_lig_smina_out.mol2", "protac_path": "2149_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3273": {"pro_comp_id": 2149, "tar_path": "TNK2_Q07912.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "TNK2_Q07912_222_lig_smina_out.mol2", "protac_path": "2149_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3274": {"pro_comp_id": 2149, "tar_path": "MAP4K2_Q12851.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MAP4K2_Q12851_222_lig_smina_out.mol2", "protac_path": "2149_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3275": {"pro_comp_id": 2149, "tar_path": "ERK5_Q13164.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MAPK7_Q13164_222_lig_smina_out.mol2", "protac_path": "2149_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3276": {"pro_comp_id": 2149, "tar_path": "RIPK1_Q13546.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "RIPK1_Q13546_222_lig_smina_out.mol2", "protac_path": "2149_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3277": {"pro_comp_id": 2149, "tar_path": "PTK2B_Q14289.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PTK2B_Q14289_222_lig_smina_out.mol2", "protac_path": "2149_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3278": {"pro_comp_id": 2149, "tar_path": "RPS6KA1_Q15418.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "RPS6KA1_Q15418_222_lig_smina_out.mol2", "protac_path": "2149_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3279": {"pro_comp_id": 2149, "tar_path": "p38alpha_Q16539.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "p38alpha_Q16539_222_lig_smina_out.mol2", "protac_path": "2149_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3280": {"pro_comp_id": 2149, "tar_path": "MAPKAPK3_Q16644.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MAPKAPK3_Q16644_222_lig_smina_out.mol2", "protac_path": "2149_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3281": {"pro_comp_id": 2149, "tar_path": "MAP4K3_Q8IVH8.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MAP4K3_Q8IVH8_222_lig_smina_out.mol2", "protac_path": "2149_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3282": {"pro_comp_id": 2149, "tar_path": "PDIK1L_Q8N165.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PDIK1L_Q8N165_222_lig_smina_out.mol2", "protac_path": "2149_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3283": {"pro_comp_id": 2149, "tar_path": "STK35_Q8TDR2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "STK35_Q8TDR2_222_lig_smina_out.mol2", "protac_path": "2149_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3284": {"pro_comp_id": 2149, "tar_path": "MAP4K1_Q92918.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MAP4K1_Q92918_222_lig_smina_out.mol2", "protac_path": "2149_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3285": {"pro_comp_id": 2149, "tar_path": "SIK2_Q9H0K1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SIK2_Q9H0K1_222_lig_smina_out.mol2", "protac_path": "2149_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3286": {"pro_comp_id": 2149, "tar_path": "MAP3K20_Q9NYL2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MAP3K20_Q9NYL2_222_lig_smina_out.mol2", "protac_path": "2149_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3287": {"pro_comp_id": 2149, "tar_path": "NLK_Q9UBE8.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NLK_Q9UBE8_222_lig_smina_out.mol2", "protac_path": "2149_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3288": {"pro_comp_id": 2149, "tar_path": "SIK3_Q9Y2K2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SIK3_Q9Y2K2_222_lig_smina_out.mol2", "protac_path": "2149_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3289": {"pro_comp_id": 2149, "tar_path": "MAP4K5_Q9Y4K4.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MAP4K5_Q9Y4K4_222_lig_smina_out.mol2", "protac_path": "2149_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3290": {"pro_comp_id": 2150, "tar_path": "CIT_O14578.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "CIT_O14578_222_lig_smina_out.mol2", "protac_path": "2150_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3291": {"pro_comp_id": 2150, "tar_path": "GAK_O14976.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "GAK_O14976_222_lig_smina_out.mol2", "protac_path": "2150_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3292": {"pro_comp_id": 2150, "tar_path": "MAP3K7_O43318.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MAP3K7_O43318_222_lig_smina_out.mol2", "protac_path": "2150_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3293": {"pro_comp_id": 2150, "tar_path": "ULK1_O75385.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ULK1_O75385_222_lig_smina_out.mol2", "protac_path": "2150_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3294": {"pro_comp_id": 2150, "tar_path": "ABL1_P00519.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ABL1_P00519_222_lig_smina_out.mol2", "protac_path": "2150_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3295": {"pro_comp_id": 2150, "tar_path": "LCK_P06239.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "LCK_P06239_222_lig_smina_out.mol2", "protac_path": "2150_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3296": {"pro_comp_id": 2150, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "CDK4_P11802_222_lig_smina_out.mol2", "protac_path": "2150_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3297": {"pro_comp_id": 2150, "tar_path": "FER_P16591.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "FER_P16591_222_lig_smina_out.mol2", "protac_path": "2150_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3298": {"pro_comp_id": 2150, "tar_path": "CDK11B_P21127.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "CDK11B_P21127_222_lig_smina_out.mol2", "protac_path": "2150_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3299": {"pro_comp_id": 2150, "tar_path": "EPHA3_P29320.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "EPHA3_P29320_222_lig_smina_out.mol2", "protac_path": "2150_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3300": {"pro_comp_id": 2150, "tar_path": "CSK_P41240.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "CSK_P41240_222_lig_smina_out.mol2", "protac_path": "2150_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3301": {"pro_comp_id": 2150, "tar_path": "ABL2_P42684.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ABL2_P42684_222_lig_smina_out.mol2", "protac_path": "2150_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3302": {"pro_comp_id": 2150, "tar_path": "MAPK9_P45984.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MAPK9_P45984_222_lig_smina_out.mol2", "protac_path": "2150_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3303": {"pro_comp_id": 2150, "tar_path": "MAPKAPK2_P49137.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MAPKAPK2_P49137_222_lig_smina_out.mol2", "protac_path": "2150_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3304": {"pro_comp_id": 2150, "tar_path": "BLK_P51451.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BLK_P51451_222_lig_smina_out.mol2", "protac_path": "2150_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3305": {"pro_comp_id": 2150, "tar_path": "LIMK2_P53671.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "LIMK2_P53671_222_lig_smina_out.mol2", "protac_path": "2150_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3306": {"pro_comp_id": 2150, "tar_path": "TNK2_Q07912.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "TNK2_Q07912_222_lig_smina_out.mol2", "protac_path": "2150_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3307": {"pro_comp_id": 2150, "tar_path": "MAP4K2_Q12851.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MAP4K2_Q12851_222_lig_smina_out.mol2", "protac_path": "2150_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3308": {"pro_comp_id": 2150, "tar_path": "ERK5_Q13164.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MAPK7_Q13164_222_lig_smina_out.mol2", "protac_path": "2150_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3309": {"pro_comp_id": 2150, "tar_path": "RIPK1_Q13546.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "RIPK1_Q13546_222_lig_smina_out.mol2", "protac_path": "2150_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3310": {"pro_comp_id": 2150, "tar_path": "PTK2B_Q14289.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PTK2B_Q14289_222_lig_smina_out.mol2", "protac_path": "2150_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3311": {"pro_comp_id": 2150, "tar_path": "RPS6KA1_Q15418.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "RPS6KA1_Q15418_222_lig_smina_out.mol2", "protac_path": "2150_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3312": {"pro_comp_id": 2150, "tar_path": "p38alpha_Q16539.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "p38alpha_Q16539_222_lig_smina_out.mol2", "protac_path": "2150_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3313": {"pro_comp_id": 2150, "tar_path": "MAPKAPK3_Q16644.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MAPKAPK3_Q16644_222_lig_smina_out.mol2", "protac_path": "2150_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3314": {"pro_comp_id": 2150, "tar_path": "PDIK1L_Q8N165.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PDIK1L_Q8N165_222_lig_smina_out.mol2", "protac_path": "2150_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3315": {"pro_comp_id": 2150, "tar_path": "STK35_Q8TDR2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "STK35_Q8TDR2_222_lig_smina_out.mol2", "protac_path": "2150_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3316": {"pro_comp_id": 2150, "tar_path": "MAP4K1_Q92918.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MAP4K1_Q92918_222_lig_smina_out.mol2", "protac_path": "2150_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3317": {"pro_comp_id": 2150, "tar_path": "SIK2_Q9H0K1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SIK2_Q9H0K1_222_lig_smina_out.mol2", "protac_path": "2150_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3318": {"pro_comp_id": 2150, "tar_path": "MAP3K20_Q9NYL2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MAP3K20_Q9NYL2_222_lig_smina_out.mol2", "protac_path": "2150_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3319": {"pro_comp_id": 2150, "tar_path": "TAOK2_Q9UL54.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "TAOK2_Q9UL54_222_lig_smina_out.mol2", "protac_path": "2150_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3320": {"pro_comp_id": 2150, "tar_path": "MAP4K5_Q9Y4K4.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MAP4K5_Q9Y4K4_222_lig_smina_out.mol2", "protac_path": "2150_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1N1CC2=CN=C(NC3=CC=C(N4CCN(CCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)N=C2N(C)C1=O", "label": -1}, "3321": {"pro_comp_id": 2151, "tar_path": "BUB1_O43683.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_48_lig_smina_out.mol2", "war_path": "BUB1_O43683_222_lig_smina_out.mol2", "protac_path": "2151_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=CC(OCCCCCN3C=C(CN4CCN(C5=CC=C(NC6=NC=C7CN(C8=CC(NC(=O)C9=CC=CC(C(F)(F)F)=C9)=CC=C8C)C(=O)N(C)C7=N6)C=N5)CC4)N=N3)=C2)=CS1)C1CCCCC1", "label": -1}, "3322": {"pro_comp_id": 2151, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_48_lig_smina_out.mol2", "war_path": "CDK4_P11802_222_lig_smina_out.mol2", "protac_path": "2151_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=CC(OCCCCCN3C=C(CN4CCN(C5=CC=C(NC6=NC=C7CN(C8=CC(NC(=O)C9=CC=CC(C(F)(F)F)=C9)=CC=C8C)C(=O)N(C)C7=N6)C=N5)CC4)N=N3)=C2)=CS1)C1CCCCC1", "label": -1}, "3323": {"pro_comp_id": 2151, "tar_path": "TEC_P42680.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_48_lig_smina_out.mol2", "war_path": "TEC_P42680_222_lig_smina_out.mol2", "protac_path": "2151_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=CC(OCCCCCN3C=C(CN4CCN(C5=CC=C(NC6=NC=C7CN(C8=CC(NC(=O)C9=CC=CC(C(F)(F)F)=C9)=CC=C8C)C(=O)N(C)C7=N6)C=N5)CC4)N=N3)=C2)=CS1)C1CCCCC1", "label": -1}, "3324": {"pro_comp_id": 2151, "tar_path": "BLK_P51451.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_48_lig_smina_out.mol2", "war_path": "BLK_P51451_222_lig_smina_out.mol2", "protac_path": "2151_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=CC(OCCCCCN3C=C(CN4CCN(C5=CC=C(NC6=NC=C7CN(C8=CC(NC(=O)C9=CC=CC(C(F)(F)F)=C9)=CC=C8C)C(=O)N(C)C7=N6)C=N5)CC4)N=N3)=C2)=CS1)C1CCCCC1", "label": -1}, "3325": {"pro_comp_id": 2151, "tar_path": "LIMK2_P53671.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_48_lig_smina_out.mol2", "war_path": "LIMK2_P53671_222_lig_smina_out.mol2", "protac_path": "2151_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=CC(OCCCCCN3C=C(CN4CCN(C5=CC=C(NC6=NC=C7CN(C8=CC(NC(=O)C9=CC=CC(C(F)(F)F)=C9)=CC=C8C)C(=O)N(C)C7=N6)C=N5)CC4)N=N3)=C2)=CS1)C1CCCCC1", "label": -1}, "3326": {"pro_comp_id": 2151, "tar_path": "TNK2_Q07912.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_48_lig_smina_out.mol2", "war_path": "TNK2_Q07912_222_lig_smina_out.mol2", "protac_path": "2151_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=CC(OCCCCCN3C=C(CN4CCN(C5=CC=C(NC6=NC=C7CN(C8=CC(NC(=O)C9=CC=CC(C(F)(F)F)=C9)=CC=C8C)C(=O)N(C)C7=N6)C=N5)CC4)N=N3)=C2)=CS1)C1CCCCC1", "label": -1}, "3327": {"pro_comp_id": 2151, "tar_path": "UHMK1_Q8TAS1.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_48_lig_smina_out.mol2", "war_path": "UHMK1_Q8TAS1_222_lig_smina_out.mol2", "protac_path": "2151_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=CC(OCCCCCN3C=C(CN4CCN(C5=CC=C(NC6=NC=C7CN(C8=CC(NC(=O)C9=CC=CC(C(F)(F)F)=C9)=CC=C8C)C(=O)N(C)C7=N6)C=N5)CC4)N=N3)=C2)=CS1)C1CCCCC1", "label": -1}, "3328": {"pro_comp_id": 2151, "tar_path": "SIK2_Q9H0K1.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_48_lig_smina_out.mol2", "war_path": "SIK2_Q9H0K1_222_lig_smina_out.mol2", "protac_path": "2151_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=CC(OCCCCCN3C=C(CN4CCN(C5=CC=C(NC6=NC=C7CN(C8=CC(NC(=O)C9=CC=CC(C(F)(F)F)=C9)=CC=C8C)C(=O)N(C)C7=N6)C=N5)CC4)N=N3)=C2)=CS1)C1CCCCC1", "label": -1}, "3329": {"pro_comp_id": 2151, "tar_path": "STK17A_Q9UEE5.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_48_lig_smina_out.mol2", "war_path": "STK17A_Q9UEE5_222_lig_smina_out.mol2", "protac_path": "2151_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=CC(OCCCCCN3C=C(CN4CCN(C5=CC=C(NC6=NC=C7CN(C8=CC(NC(=O)C9=CC=CC(C(F)(F)F)=C9)=CC=C8C)C(=O)N(C)C7=N6)C=N5)CC4)N=N3)=C2)=CS1)C1CCCCC1", "label": -1}, "3330": {"pro_comp_id": 2152, "tar_path": "p38alpha_Q16539.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "p38alpha_Q16539_223_lig_smina_out.mol2", "protac_path": "2152_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=CC(C(C)(C)C#N)=C2)C=C1NC1=CC=C2N=CN(CCOCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C(=O)C2=C1", "label": -1}, "3331": {"pro_comp_id": 2153, "tar_path": "BCKDK_O14874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BCKDK_O14874_205_lig_smina_out.mol2", "protac_path": "2153_protac.mol2", "smiles": "CC(C)(C)C1=NC(C2=CC=CC(NS(=O)(=O)C3=C(F)C=CC=C3F)=C2F)=C(C2=CC=NC(NCCOCCNC(=O)CCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=N2)S1", "label": -1}, "3332": {"pro_comp_id": 2153, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AURKA_O14965_205_lig_smina_out.mol2", "protac_path": "2153_protac.mol2", "smiles": "CC(C)(C)C1=NC(C2=CC=CC(NS(=O)(=O)C3=C(F)C=CC=C3F)=C2F)=C(C2=CC=NC(NCCOCCNC(=O)CCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=N2)S1", "label": -1}, "3333": {"pro_comp_id": 2153, "tar_path": "CDK1_P06493.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK1_P06493_205_lig_smina_out.mol2", "protac_path": "2153_protac.mol2", "smiles": "CC(C)(C)C1=NC(C2=CC=CC(NS(=O)(=O)C3=C(F)C=CC=C3F)=C2F)=C(C2=CC=NC(NCCOCCNC(=O)CCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=N2)S1", "label": -1}, "3334": {"pro_comp_id": 2153, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_205_lig_smina_out.mol2", "protac_path": "2153_protac.mol2", "smiles": "CC(C)(C)C1=NC(C2=CC=CC(NS(=O)(=O)C3=C(F)C=CC=C3F)=C2F)=C(C2=CC=NC(NCCOCCNC(=O)CCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=N2)S1", "label": -1}, "3335": {"pro_comp_id": 2153, "tar_path": "EIF2AK2_P19525.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EIF2AK2_P19525_205_lig_smina_out.mol2", "protac_path": "2153_protac.mol2", "smiles": "CC(C)(C)C1=NC(C2=CC=CC(NS(=O)(=O)C3=C(F)C=CC=C3F)=C2F)=C(C2=CC=NC(NCCOCCNC(=O)CCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=N2)S1", "label": -1}, "3336": {"pro_comp_id": 2153, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK2_P24941_205_lig_smina_out.mol2", "protac_path": "2153_protac.mol2", "smiles": "CC(C)(C)C1=NC(C2=CC=CC(NS(=O)(=O)C3=C(F)C=CC=C3F)=C2F)=C(C2=CC=NC(NCCOCCNC(=O)CCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=N2)S1", "label": -1}, "3337": {"pro_comp_id": 2153, "tar_path": "CSK_P41240.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CSK_P41240_205_lig_smina_out.mol2", "protac_path": "2153_protac.mol2", "smiles": "CC(C)(C)C1=NC(C2=CC=CC(NS(=O)(=O)C3=C(F)C=CC=C3F)=C2F)=C(C2=CC=NC(NCCOCCNC(=O)CCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=N2)S1", "label": -1}, "3338": {"pro_comp_id": 2153, "tar_path": "PLK1_P53350.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PLK1_P53350_205_lig_smina_out.mol2", "protac_path": "2153_protac.mol2", "smiles": "CC(C)(C)C1=NC(C2=CC=CC(NS(=O)(=O)C3=C(F)C=CC=C3F)=C2F)=C(C2=CC=NC(NCCOCCNC(=O)CCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=N2)S1", "label": -1}, "3339": {"pro_comp_id": 2153, "tar_path": "LIMK1_P53667.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "LIMK1_P53667_205_lig_smina_out.mol2", "protac_path": "2153_protac.mol2", "smiles": "CC(C)(C)C1=NC(C2=CC=CC(NS(=O)(=O)C3=C(F)C=CC=C3F)=C2F)=C(C2=CC=NC(NCCOCCNC(=O)CCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=N2)S1", "label": -1}, "3340": {"pro_comp_id": 2153, "tar_path": "LIMK2_P53671.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "LIMK2_P53671_205_lig_smina_out.mol2", "protac_path": "2153_protac.mol2", "smiles": "CC(C)(C)C1=NC(C2=CC=CC(NS(=O)(=O)C3=C(F)C=CC=C3F)=C2F)=C(C2=CC=NC(NCCOCCNC(=O)CCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=N2)S1", "label": -1}, "3341": {"pro_comp_id": 2153, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_205_lig_smina_out.mol2", "protac_path": "2153_protac.mol2", "smiles": "CC(C)(C)C1=NC(C2=CC=CC(NS(=O)(=O)C3=C(F)C=CC=C3F)=C2F)=C(C2=CC=NC(NCCOCCNC(=O)CCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=N2)S1", "label": -1}, "3342": {"pro_comp_id": 2153, "tar_path": "CDK16_Q00536.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK16_Q00536_205_lig_smina_out.mol2", "protac_path": "2153_protac.mol2", "smiles": "CC(C)(C)C1=NC(C2=CC=CC(NS(=O)(=O)C3=C(F)C=CC=C3F)=C2F)=C(C2=CC=NC(NCCOCCNC(=O)CCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=N2)S1", "label": -1}, "3343": {"pro_comp_id": 2153, "tar_path": "CDK17_Q00537.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK17_Q00537_205_lig_smina_out.mol2", "protac_path": "2153_protac.mol2", "smiles": "CC(C)(C)C1=NC(C2=CC=CC(NS(=O)(=O)C3=C(F)C=CC=C3F)=C2F)=C(C2=CC=NC(NCCOCCNC(=O)CCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=N2)S1", "label": -1}, "3344": {"pro_comp_id": 2153, "tar_path": "PDK1_Q15118.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PDK1_Q15118_205_lig_smina_out.mol2", "protac_path": "2153_protac.mol2", "smiles": "CC(C)(C)C1=NC(C2=CC=CC(NS(=O)(=O)C3=C(F)C=CC=C3F)=C2F)=C(C2=CC=NC(NCCOCCNC(=O)CCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=N2)S1", "label": -1}, "3345": {"pro_comp_id": 2153, "tar_path": "PDK2_Q15119.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PDK2_Q15119_205_lig_smina_out.mol2", "protac_path": "2153_protac.mol2", "smiles": "CC(C)(C)C1=NC(C2=CC=CC(NS(=O)(=O)C3=C(F)C=CC=C3F)=C2F)=C(C2=CC=NC(NCCOCCNC(=O)CCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=N2)S1", "label": -1}, "3346": {"pro_comp_id": 2153, "tar_path": "PDK3_Q15120.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PDK3_Q15120_205_lig_smina_out.mol2", "protac_path": "2153_protac.mol2", "smiles": "CC(C)(C)C1=NC(C2=CC=CC(NS(=O)(=O)C3=C(F)C=CC=C3F)=C2F)=C(C2=CC=NC(NCCOCCNC(=O)CCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=N2)S1", "label": -1}, "3347": {"pro_comp_id": 2153, "tar_path": "COQ8A_Q8NI60.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "COQ8A_Q8NI60_205_lig_smina_out.mol2", "protac_path": "2153_protac.mol2", "smiles": "CC(C)(C)C1=NC(C2=CC=CC(NS(=O)(=O)C3=C(F)C=CC=C3F)=C2F)=C(C2=CC=NC(NCCOCCNC(=O)CCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=N2)S1", "label": -1}, "3348": {"pro_comp_id": 2153, "tar_path": "COQ8B_Q96D53.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "COQ8B_Q96D53_205_lig_smina_out.mol2", "protac_path": "2153_protac.mol2", "smiles": "CC(C)(C)C1=NC(C2=CC=CC(NS(=O)(=O)C3=C(F)C=CC=C3F)=C2F)=C(C2=CC=NC(NCCOCCNC(=O)CCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=N2)S1", "label": -1}, "3349": {"pro_comp_id": 2153, "tar_path": "TESK2_Q96S53.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TESK2_Q96S53_205_lig_smina_out.mol2", "protac_path": "2153_protac.mol2", "smiles": "CC(C)(C)C1=NC(C2=CC=CC(NS(=O)(=O)C3=C(F)C=CC=C3F)=C2F)=C(C2=CC=NC(NCCOCCNC(=O)CCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=N2)S1", "label": -1}, "3350": {"pro_comp_id": 2153, "tar_path": "MAP3K20_Q9NYL2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MAP3K20_Q9NYL2_205_lig_smina_out.mol2", "protac_path": "2153_protac.mol2", "smiles": "CC(C)(C)C1=NC(C2=CC=CC(NS(=O)(=O)C3=C(F)C=CC=C3F)=C2F)=C(C2=CC=NC(NCCOCCNC(=O)CCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=N2)S1", "label": -1}, "3351": {"pro_comp_id": 2153, "tar_path": "NLK_Q9UBE8.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "NLK_Q9UBE8_205_lig_smina_out.mol2", "protac_path": "2153_protac.mol2", "smiles": "CC(C)(C)C1=NC(C2=CC=CC(NS(=O)(=O)C3=C(F)C=CC=C3F)=C2F)=C(C2=CC=NC(NCCOCCNC(=O)CCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=N2)S1", "label": -1}, "3352": {"pro_comp_id": 2154, "tar_path": "BCKDK_O14874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BCKDK_O14874_205_lig_smina_out.mol2", "protac_path": "2154_protac.mol2", "smiles": "CC(C)(C)C1=NC(C2=CC=CC(NS(=O)(=O)C3=C(F)C=CC=C3F)=C2F)=C(C2=CC=NC(NCCOCCNC(=O)CCOCCOCCNC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)=N2)S1", "label": -1}, "3353": {"pro_comp_id": 2154, "tar_path": "LIMK1_P53667.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "LIMK1_P53667_205_lig_smina_out.mol2", "protac_path": "2154_protac.mol2", "smiles": "CC(C)(C)C1=NC(C2=CC=CC(NS(=O)(=O)C3=C(F)C=CC=C3F)=C2F)=C(C2=CC=NC(NCCOCCNC(=O)CCOCCOCCNC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)=N2)S1", "label": -1}, "3354": {"pro_comp_id": 2154, "tar_path": "PDK1_Q15118.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "PDK1_Q15118_205_lig_smina_out.mol2", "protac_path": "2154_protac.mol2", "smiles": "CC(C)(C)C1=NC(C2=CC=CC(NS(=O)(=O)C3=C(F)C=CC=C3F)=C2F)=C(C2=CC=NC(NCCOCCNC(=O)CCOCCOCCNC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)=N2)S1", "label": -1}, "3355": {"pro_comp_id": 2154, "tar_path": "PDK2_Q15119.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "PDK2_Q15119_205_lig_smina_out.mol2", "protac_path": "2154_protac.mol2", "smiles": "CC(C)(C)C1=NC(C2=CC=CC(NS(=O)(=O)C3=C(F)C=CC=C3F)=C2F)=C(C2=CC=NC(NCCOCCNC(=O)CCOCCOCCNC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)=N2)S1", "label": -1}, "3356": {"pro_comp_id": 2154, "tar_path": "PDK3_Q15120.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "PDK3_Q15120_205_lig_smina_out.mol2", "protac_path": "2154_protac.mol2", "smiles": "CC(C)(C)C1=NC(C2=CC=CC(NS(=O)(=O)C3=C(F)C=CC=C3F)=C2F)=C(C2=CC=NC(NCCOCCNC(=O)CCOCCOCCNC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)=N2)S1", "label": -1}, "3357": {"pro_comp_id": 2154, "tar_path": "COQ8A_Q8NI60.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "COQ8A_Q8NI60_205_lig_smina_out.mol2", "protac_path": "2154_protac.mol2", "smiles": "CC(C)(C)C1=NC(C2=CC=CC(NS(=O)(=O)C3=C(F)C=CC=C3F)=C2F)=C(C2=CC=NC(NCCOCCNC(=O)CCOCCOCCNC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)=N2)S1", "label": -1}, "3358": {"pro_comp_id": 2155, "tar_path": "LCK_P06239.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "LCK_P06239_160_lig_smina_out.mol2", "protac_path": "2155_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)CCCN2CCN(CCNC(=O)CCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)C1", "label": -1}, "3359": {"pro_comp_id": 2155, "tar_path": "FYN_P06241.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FYN_P06241_160_lig_smina_out.mol2", "protac_path": "2155_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)CCCN2CCN(CCNC(=O)CCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)C1", "label": -1}, "3360": {"pro_comp_id": 2155, "tar_path": "Src_P12931.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Src_P12931_160_lig_smina_out.mol2", "protac_path": "2155_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)CCCN2CCN(CCNC(=O)CCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)C1", "label": -1}, "3361": {"pro_comp_id": 2155, "tar_path": "CSK_P41240.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CSK_P41240_160_lig_smina_out.mol2", "protac_path": "2155_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)CCCN2CCN(CCNC(=O)CCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)C1", "label": -1}, "3362": {"pro_comp_id": 2155, "tar_path": "TEC_P42680.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TEC_P42680_160_lig_smina_out.mol2", "protac_path": "2155_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)CCCN2CCN(CCNC(=O)CCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)C1", "label": -1}, "3363": {"pro_comp_id": 2155, "tar_path": "ABL2_P42684.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ABL2_P42684_160_lig_smina_out.mol2", "protac_path": "2155_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)CCCN2CCN(CCNC(=O)CCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)C1", "label": -1}, "3364": {"pro_comp_id": 2155, "tar_path": "BLK_P51451.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BLK_P51451_160_lig_smina_out.mol2", "protac_path": "2155_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)CCCN2CCN(CCNC(=O)CCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)C1", "label": -1}, "3365": {"pro_comp_id": 2156, "tar_path": "LIMK1_P53667.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "LIMK1_P53667_205_lig_smina_out.mol2", "protac_path": "2156_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCNC3=NC=CC(C4=C(C5=CC=CC(NS(=O)(=O)C6=C(F)C=CC=C6F)=C5F)N=C(C(C)(C)C)S4)=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3366": {"pro_comp_id": 2156, "tar_path": "LIMK2_P53671.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "LIMK2_P53671_205_lig_smina_out.mol2", "protac_path": "2156_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCNC3=NC=CC(C4=C(C5=CC=CC(NS(=O)(=O)C6=C(F)C=CC=C6F)=C5F)N=C(C(C)(C)C)S4)=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3367": {"pro_comp_id": 2156, "tar_path": "CDK17_Q00537.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "CDK17_Q00537_205_lig_smina_out.mol2", "protac_path": "2156_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCNC3=NC=CC(C4=C(C5=CC=CC(NS(=O)(=O)C6=C(F)C=CC=C6F)=C5F)N=C(C(C)(C)C)S4)=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3368": {"pro_comp_id": 2157, "tar_path": "c-KIT_P10721.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "c-KIT_P10721_235_lig_smina_out.mol2", "protac_path": "2157_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C3=CC=C(NC(=O)C4(C(=O)NC5=CC(F)=C(OC6=CC=NC(C7=CN(C)N=C7)=C6)C=C5F)CC4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "3369": {"pro_comp_id": 2158, "tar_path": "LCK_P06239.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "LCK_P06239_121_lig_smina_out.mol2", "protac_path": "2158_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(C(=O)NCCCCCCCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C=C4)C=C23)=C1F", "label": -1}, "3370": {"pro_comp_id": 2158, "tar_path": "CSK_P41240.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CSK_P41240_121_lig_smina_out.mol2", "protac_path": "2158_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(C(=O)NCCCCCCCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C=C4)C=C23)=C1F", "label": -1}, "3371": {"pro_comp_id": 2158, "tar_path": "BLK_P51451.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BLK_P51451_121_lig_smina_out.mol2", "protac_path": "2158_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(C(=O)NCCCCCCCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C=C4)C=C23)=C1F", "label": -1}, "3372": {"pro_comp_id": 2158, "tar_path": "LIMK2_P53671.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "LIMK2_P53671_121_lig_smina_out.mol2", "protac_path": "2158_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(C(=O)NCCCCCCCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C=C4)C=C23)=C1F", "label": -1}, "3373": {"pro_comp_id": 2158, "tar_path": "MAP2K5_Q13163.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MAP2K5_Q13163_121_lig_smina_out.mol2", "protac_path": "2158_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(C(=O)NCCCCCCCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C=C4)C=C23)=C1F", "label": -1}, "3374": {"pro_comp_id": 2158, "tar_path": "MAP3K20_Q9NYL2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MAP3K20_Q9NYL2_121_lig_smina_out.mol2", "protac_path": "2158_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(C(=O)NCCCCCCCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C=C4)C=C23)=C1F", "label": -1}, "3375": {"pro_comp_id": 2159, "tar_path": "PIK3CG_P48736.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PIK3CG_P48736_71_lig_smina_out.mol2", "protac_path": "2159_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOCCC(=O)NC4=CC=CC(CN5CCC(NC(=O)C6=C(NC(=O)C7=C(Cl)C=CC=C7Cl)C=N[NH]6)CC5)=C4)=C3C2=O)C(=O)N1", "label": -1}, "3376": {"pro_comp_id": 2159, "tar_path": "CLK1_P49759.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CLK1_P49759_71_lig_smina_out.mol2", "protac_path": "2159_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOCCC(=O)NC4=CC=CC(CN5CCC(NC(=O)C6=C(NC(=O)C7=C(Cl)C=CC=C7Cl)C=N[NH]6)CC5)=C4)=C3C2=O)C(=O)N1", "label": -1}, "3377": {"pro_comp_id": 2159, "tar_path": "GSK3A_P49840.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK3A_P49840_71_lig_smina_out.mol2", "protac_path": "2159_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOCCC(=O)NC4=CC=CC(CN5CCC(NC(=O)C6=C(NC(=O)C7=C(Cl)C=CC=C7Cl)C=N[NH]6)CC5)=C4)=C3C2=O)C(=O)N1", "label": -1}, "3378": {"pro_comp_id": 2159, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_71_lig_smina_out.mol2", "protac_path": "2159_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOCCC(=O)NC4=CC=CC(CN5CCC(NC(=O)C6=C(NC(=O)C7=C(Cl)C=CC=C7Cl)C=N[NH]6)CC5)=C4)=C3C2=O)C(=O)N1", "label": -1}, "3379": {"pro_comp_id": 2159, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK9_P50750_71_lig_smina_out.mol2", "protac_path": "2159_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOCCC(=O)NC4=CC=CC(CN5CCC(NC(=O)C6=C(NC(=O)C7=C(Cl)C=CC=C7Cl)C=N[NH]6)CC5)=C4)=C3C2=O)C(=O)N1", "label": -1}, "3380": {"pro_comp_id": 2159, "tar_path": "SGK3_Q96BR1.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SGK3_Q96BR1_71_lig_smina_out.mol2", "protac_path": "2159_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOCCC(=O)NC4=CC=CC(CN5CCC(NC(=O)C6=C(NC(=O)C7=C(Cl)C=CC=C7Cl)C=N[NH]6)CC5)=C4)=C3C2=O)C(=O)N1", "label": -1}, "3381": {"pro_comp_id": 2159, "tar_path": "CDK11A_Q9UQ88.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK11A_Q9UQ88_71_lig_smina_out.mol2", "protac_path": "2159_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOCCC(=O)NC4=CC=CC(CN5CCC(NC(=O)C6=C(NC(=O)C7=C(Cl)C=CC=C7Cl)C=N[NH]6)CC5)=C4)=C3C2=O)C(=O)N1", "label": -1}, "3382": {"pro_comp_id": 2160, "tar_path": "CSK_P41240.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "CSK_P41240_209_lig_smina_out.mol2", "protac_path": "2160_protac.mol2", "smiles": "COC1=CC(N2CCN(CCOCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C2C(=N1)N(C)C1=CC=CC=C1C(=O)N2CC(F)(F)F", "label": -1}, "3383": {"pro_comp_id": 2160, "tar_path": "BLK_P51451.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BLK_P51451_209_lig_smina_out.mol2", "protac_path": "2160_protac.mol2", "smiles": "COC1=CC(N2CCN(CCOCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C2C(=N1)N(C)C1=CC=CC=C1C(=O)N2CC(F)(F)F", "label": -1}, "3384": {"pro_comp_id": 2161, "tar_path": "CDC7_O00311.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "CDC7_O00311_67_lig_smina_out.mol2", "protac_path": "2161_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCN3CCN(C4=CC=C(NC5=NC=C(Cl)C(NC6=CC=CC=C6S(=O)(=O)C(C)C)=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3385": {"pro_comp_id": 2161, "tar_path": "PLK4_O00444.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PLK4_O00444_67_lig_smina_out.mol2", "protac_path": "2161_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCN3CCN(C4=CC=C(NC5=NC=C(Cl)C(NC6=CC=CC=C6S(=O)(=O)C(C)C)=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3386": {"pro_comp_id": 2161, "tar_path": "CHEK1_O14757.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "CHEK1_O14757_67_lig_smina_out.mol2", "protac_path": "2161_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCN3CCN(C4=CC=C(NC5=NC=C(Cl)C(NC6=CC=CC=C6S(=O)(=O)C(C)C)=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3387": {"pro_comp_id": 2161, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AURKA_O14965_67_lig_smina_out.mol2", "protac_path": "2161_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCN3CCN(C4=CC=C(NC5=NC=C(Cl)C(NC6=CC=CC=C6S(=O)(=O)C(C)C)=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3388": {"pro_comp_id": 2161, "tar_path": "GAK_O14976.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "GAK_O14976_67_lig_smina_out.mol2", "protac_path": "2161_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCN3CCN(C4=CC=C(NC5=NC=C(Cl)C(NC6=CC=CC=C6S(=O)(=O)C(C)C)=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3389": {"pro_comp_id": 2161, "tar_path": "BUB1B_O60566.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BUB1B_O60566_67_lig_smina_out.mol2", "protac_path": "2161_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCN3CCN(C4=CC=C(NC5=NC=C(Cl)C(NC6=CC=CC=C6S(=O)(=O)C(C)C)=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3390": {"pro_comp_id": 2161, "tar_path": "ULK1_O75385.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ULK1_O75385_67_lig_smina_out.mol2", "protac_path": "2161_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCN3CCN(C4=CC=C(NC5=NC=C(Cl)C(NC6=CC=CC=C6S(=O)(=O)C(C)C)=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3391": {"pro_comp_id": 2161, "tar_path": "RPS6KA4_O75676.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "RPS6KA4_O75676_67_lig_smina_out.mol2", "protac_path": "2161_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCN3CCN(C4=CC=C(NC5=NC=C(Cl)C(NC6=CC=CC=C6S(=O)(=O)C(C)C)=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3392": {"pro_comp_id": 2161, "tar_path": "CDK1_P06493.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "CDK1_P06493_67_lig_smina_out.mol2", "protac_path": "2161_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCN3CCN(C4=CC=C(NC5=NC=C(Cl)C(NC6=CC=CC=C6S(=O)(=O)C(C)C)=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3393": {"pro_comp_id": 2161, "tar_path": "FGFR1_P11362.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "FGFR1_P11362_67_lig_smina_out.mol2", "protac_path": "2161_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCN3CCN(C4=CC=C(NC5=NC=C(Cl)C(NC6=CC=CC=C6S(=O)(=O)C(C)C)=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3394": {"pro_comp_id": 2161, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "CDK4_P11802_67_lig_smina_out.mol2", "protac_path": "2161_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCN3CCN(C4=CC=C(NC5=NC=C(Cl)C(NC6=CC=CC=C6S(=O)(=O)C(C)C)=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3395": {"pro_comp_id": 2161, "tar_path": "FER_P16591.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "FER_P16591_67_lig_smina_out.mol2", "protac_path": "2161_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCN3CCN(C4=CC=C(NC5=NC=C(Cl)C(NC6=CC=CC=C6S(=O)(=O)C(C)C)=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3396": {"pro_comp_id": 2161, "tar_path": "EPHA1_P21709.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "EPHA1_P21709_67_lig_smina_out.mol2", "protac_path": "2161_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCN3CCN(C4=CC=C(NC5=NC=C(Cl)C(NC6=CC=CC=C6S(=O)(=O)C(C)C)=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3397": {"pro_comp_id": 2161, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "CDK2_P24941_67_lig_smina_out.mol2", "protac_path": "2161_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCN3CCN(C4=CC=C(NC5=NC=C(Cl)C(NC6=CC=CC=C6S(=O)(=O)C(C)C)=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3398": {"pro_comp_id": 2161, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "Wee1_P30291_67_lig_smina_out.mol2", "protac_path": "2161_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCN3CCN(C4=CC=C(NC5=NC=C(Cl)C(NC6=CC=CC=C6S(=O)(=O)C(C)C)=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3399": {"pro_comp_id": 2161, "tar_path": "ABL2_P42684.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ABL2_P42684_67_lig_smina_out.mol2", "protac_path": "2161_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCN3CCN(C4=CC=C(NC5=NC=C(Cl)C(NC6=CC=CC=C6S(=O)(=O)C(C)C)=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3400": {"pro_comp_id": 2161, "tar_path": "CSNK1D_P48730.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "CSNK1D_P48730_67_lig_smina_out.mol2", "protac_path": "2161_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCN3CCN(C4=CC=C(NC5=NC=C(Cl)C(NC6=CC=CC=C6S(=O)(=O)C(C)C)=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3401": {"pro_comp_id": 2161, "tar_path": "CDK7_P50613.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "CDK7_P50613_67_lig_smina_out.mol2", "protac_path": "2161_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCN3CCN(C4=CC=C(NC5=NC=C(Cl)C(NC6=CC=CC=C6S(=O)(=O)C(C)C)=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3402": {"pro_comp_id": 2161, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "CDK9_P50750_67_lig_smina_out.mol2", "protac_path": "2161_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCN3CCN(C4=CC=C(NC5=NC=C(Cl)C(NC6=CC=CC=C6S(=O)(=O)C(C)C)=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3403": {"pro_comp_id": 2161, "tar_path": "LIMK2_P53671.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "LIMK2_P53671_67_lig_smina_out.mol2", "protac_path": "2161_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCN3CCN(C4=CC=C(NC5=NC=C(Cl)C(NC6=CC=CC=C6S(=O)(=O)C(C)C)=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3404": {"pro_comp_id": 2161, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "CDK6_Q00534_67_lig_smina_out.mol2", "protac_path": "2161_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCN3CCN(C4=CC=C(NC5=NC=C(Cl)C(NC6=CC=CC=C6S(=O)(=O)C(C)C)=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3405": {"pro_comp_id": 2161, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "FAK_Q05397_67_lig_smina_out.mol2", "protac_path": "2161_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCN3CCN(C4=CC=C(NC5=NC=C(Cl)C(NC6=CC=CC=C6S(=O)(=O)C(C)C)=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3406": {"pro_comp_id": 2161, "tar_path": "TNK2_Q07912.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "TNK2_Q07912_67_lig_smina_out.mol2", "protac_path": "2161_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCN3CCN(C4=CC=C(NC5=NC=C(Cl)C(NC6=CC=CC=C6S(=O)(=O)C(C)C)=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3407": {"pro_comp_id": 2161, "tar_path": "ITK_Q08881.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ITK_Q08881_67_lig_smina_out.mol2", "protac_path": "2161_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCN3CCN(C4=CC=C(NC5=NC=C(Cl)C(NC6=CC=CC=C6S(=O)(=O)C(C)C)=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3408": {"pro_comp_id": 2161, "tar_path": "MAP4K2_Q12851.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MAP4K2_Q12851_67_lig_smina_out.mol2", "protac_path": "2161_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCN3CCN(C4=CC=C(NC5=NC=C(Cl)C(NC6=CC=CC=C6S(=O)(=O)C(C)C)=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3409": {"pro_comp_id": 2161, "tar_path": "PRKAA1_Q13131.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PRKAA1_Q13131_67_lig_smina_out.mol2", "protac_path": "2161_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCN3CCN(C4=CC=C(NC5=NC=C(Cl)C(NC6=CC=CC=C6S(=O)(=O)C(C)C)=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3410": {"pro_comp_id": 2161, "tar_path": "ERK5_Q13164.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MAPK7_Q13164_67_lig_smina_out.mol2", "protac_path": "2161_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCN3CCN(C4=CC=C(NC5=NC=C(Cl)C(NC6=CC=CC=C6S(=O)(=O)C(C)C)=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3411": {"pro_comp_id": 2161, "tar_path": "PTK6_Q13882.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PTK6_Q13882_67_lig_smina_out.mol2", "protac_path": "2161_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCN3CCN(C4=CC=C(NC5=NC=C(Cl)C(NC6=CC=CC=C6S(=O)(=O)C(C)C)=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3412": {"pro_comp_id": 2161, "tar_path": "CDK13_Q14004.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "CDK13_Q14004_67_lig_smina_out.mol2", "protac_path": "2161_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCN3CCN(C4=CC=C(NC5=NC=C(Cl)C(NC6=CC=CC=C6S(=O)(=O)C(C)C)=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3413": {"pro_comp_id": 2161, "tar_path": "MELK_Q14680.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MELK_Q14680_67_lig_smina_out.mol2", "protac_path": "2161_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCN3CCN(C4=CC=C(NC5=NC=C(Cl)C(NC6=CC=CC=C6S(=O)(=O)C(C)C)=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3414": {"pro_comp_id": 2161, "tar_path": "MAPK6_Q16659.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MAPK6_Q16659_67_lig_smina_out.mol2", "protac_path": "2161_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCN3CCN(C4=CC=C(NC5=NC=C(Cl)C(NC6=CC=CC=C6S(=O)(=O)C(C)C)=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3415": {"pro_comp_id": 2161, "tar_path": "AAK1_Q2M2I8.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AAK1_Q2M2I8_67_lig_smina_out.mol2", "protac_path": "2161_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCN3CCN(C4=CC=C(NC5=NC=C(Cl)C(NC6=CC=CC=C6S(=O)(=O)C(C)C)=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3416": {"pro_comp_id": 2161, "tar_path": "PKN3_Q6P5Z2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PKN3_Q6P5Z2_67_lig_smina_out.mol2", "protac_path": "2161_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCN3CCN(C4=CC=C(NC5=NC=C(Cl)C(NC6=CC=CC=C6S(=O)(=O)C(C)C)=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3417": {"pro_comp_id": 2161, "tar_path": "MAP4K3_Q8IVH8.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MAP4K3_Q8IVH8_67_lig_smina_out.mol2", "protac_path": "2161_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCN3CCN(C4=CC=C(NC5=NC=C(Cl)C(NC6=CC=CC=C6S(=O)(=O)C(C)C)=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3418": {"pro_comp_id": 2161, "tar_path": "UHMK1_Q8TAS1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "UHMK1_Q8TAS1_67_lig_smina_out.mol2", "protac_path": "2161_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCN3CCN(C4=CC=C(NC5=NC=C(Cl)C(NC6=CC=CC=C6S(=O)(=O)C(C)C)=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3419": {"pro_comp_id": 2161, "tar_path": "STK35_Q8TDR2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "STK35_Q8TDR2_67_lig_smina_out.mol2", "protac_path": "2161_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCN3CCN(C4=CC=C(NC5=NC=C(Cl)C(NC6=CC=CC=C6S(=O)(=O)C(C)C)=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3420": {"pro_comp_id": 2161, "tar_path": "AURKB_Q96GD4.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AURKB_Q96GD4_67_lig_smina_out.mol2", "protac_path": "2161_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCN3CCN(C4=CC=C(NC5=NC=C(Cl)C(NC6=CC=CC=C6S(=O)(=O)C(C)C)=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3421": {"pro_comp_id": 2161, "tar_path": "MARK4_Q96L34.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MARK4_Q96L34_67_lig_smina_out.mol2", "protac_path": "2161_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCN3CCN(C4=CC=C(NC5=NC=C(Cl)C(NC6=CC=CC=C6S(=O)(=O)C(C)C)=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3422": {"pro_comp_id": 2161, "tar_path": "SIK2_Q9H0K1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SIK2_Q9H0K1_67_lig_smina_out.mol2", "protac_path": "2161_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCN3CCN(C4=CC=C(NC5=NC=C(Cl)C(NC6=CC=CC=C6S(=O)(=O)C(C)C)=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3423": {"pro_comp_id": 2161, "tar_path": "IRAK4_Q9NWZ3.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "IRAK4_Q9NWZ3_67_lig_smina_out.mol2", "protac_path": "2161_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCN3CCN(C4=CC=C(NC5=NC=C(Cl)C(NC6=CC=CC=C6S(=O)(=O)C(C)C)=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3424": {"pro_comp_id": 2161, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_67_lig_smina_out.mol2", "protac_path": "2161_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCN3CCN(C4=CC=C(NC5=NC=C(Cl)C(NC6=CC=CC=C6S(=O)(=O)C(C)C)=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3425": {"pro_comp_id": 2162, "tar_path": "ABL1_P00519.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ABL1_P00519_53_lig_smina_out.mol2", "protac_path": "2162_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=C(CN3CCN(C(=O)CCC(=O)NCCCCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)C=C1NC1=NC=CC(C2=CC=CN=C2)=N1", "label": 0}, "3426": {"pro_comp_id": 2163, "tar_path": "ABL1_P00519.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ABL1_P00519_53_lig_smina_out.mol2", "protac_path": "2163_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C2=CC=C(CN3CCN(CC(=O)NCCCCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)C=C1NC1=NC=CC(C2=CC=CN=C2)=N1", "label": 0}, "3427": {"pro_comp_id": 2164, "tar_path": "PDK1_Q15118.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PDK1_Q15118_266_lig_smina_out.mol2", "protac_path": "2164_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCC(=O)NC1(C2=CC=C(C3=NC4=C(C=C3C3=CC=CC=C3)C3=N[NH]C(=O)N3C=C4)C=C2)CCC1", "label": -1}, "3428": {"pro_comp_id": 2164, "tar_path": "PDK2_Q15119.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PDK2_Q15119_266_lig_smina_out.mol2", "protac_path": "2164_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCC(=O)NC1(C2=CC=C(C3=NC4=C(C=C3C3=CC=CC=C3)C3=N[NH]C(=O)N3C=C4)C=C2)CCC1", "label": -1}, "3429": {"pro_comp_id": 2164, "tar_path": "PDK3_Q15120.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PDK3_Q15120_266_lig_smina_out.mol2", "protac_path": "2164_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCC(=O)NC1(C2=CC=C(C3=NC4=C(C=C3C3=CC=CC=C3)C3=N[NH]C(=O)N3C=C4)C=C2)CCC1", "label": -1}, "3430": {"pro_comp_id": 2165, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AKT1_P31749_250_lig_smina_out.mol2", "protac_path": "2165_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCOC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(CN)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "3431": {"pro_comp_id": 2165, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AKT2_P31751_250_lig_smina_out.mol2", "protac_path": "2165_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCOC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(CN)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "3432": {"pro_comp_id": 2165, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_250_lig_smina_out.mol2", "protac_path": "2165_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCOC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(CN)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "3433": {"pro_comp_id": 2166, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AKT1_P31749_104_lig_smina_out.mol2", "protac_path": "2166_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCCNC[C@@H](C(=O)N3CCN(C4=NC=NC5=C4[C@H](C)CC5)CC3)C3=CC=C(Cl)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "3434": {"pro_comp_id": 2166, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AKT2_P31751_104_lig_smina_out.mol2", "protac_path": "2166_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCCNC[C@@H](C(=O)N3CCN(C4=NC=NC5=C4[C@H](C)CC5)CC3)C3=CC=C(Cl)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "3435": {"pro_comp_id": 2166, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_104_lig_smina_out.mol2", "protac_path": "2166_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCCNC[C@@H](C(=O)N3CCN(C4=NC=NC5=C4[C@H](C)CC5)CC3)C3=CC=C(Cl)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "3436": {"pro_comp_id": 2167, "tar_path": "BCKDK_O14874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BCKDK_O14874_104_lig_smina_out.mol2", "protac_path": "2167_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCCCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "3437": {"pro_comp_id": 2167, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AKT1_P31749_104_lig_smina_out.mol2", "protac_path": "2167_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCCCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "3438": {"pro_comp_id": 2167, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AKT2_P31751_104_lig_smina_out.mol2", "protac_path": "2167_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCCCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "3439": {"pro_comp_id": 2167, "tar_path": "PDK1_Q15118.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PDK1_Q15118_104_lig_smina_out.mol2", "protac_path": "2167_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCCCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "3440": {"pro_comp_id": 2167, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_104_lig_smina_out.mol2", "protac_path": "2167_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCCCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "3441": {"pro_comp_id": 2168, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AKT1_P31749_224_lig_smina_out.mol2", "protac_path": "2168_protac.mol2", "smiles": "CNC1=CC(NC2=CC(C)=CC(OCCOCCOCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)=NN2C(C(N)=O)=CN=C12", "label": 0}, "3442": {"pro_comp_id": 2168, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AKT2_P31751_224_lig_smina_out.mol2", "protac_path": "2168_protac.mol2", "smiles": "CNC1=CC(NC2=CC(C)=CC(OCCOCCOCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)=NN2C(C(N)=O)=CN=C12", "label": 0}, "3443": {"pro_comp_id": 2168, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_224_lig_smina_out.mol2", "protac_path": "2168_protac.mol2", "smiles": "CNC1=CC(NC2=CC(C)=CC(OCCOCCOCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)=NN2C(C(N)=O)=CN=C12", "label": 0}, "3444": {"pro_comp_id": 2169, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AKT1_P31749_234_lig_smina_out.mol2", "protac_path": "2169_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCNC[C@H](CC3=CC=CC(F)=C3)NC(=O)C3=CC(C4=C(Cl)C=NN4C)=C(Cl)S3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "3445": {"pro_comp_id": 2169, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AKT2_P31751_234_lig_smina_out.mol2", "protac_path": "2169_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCNC[C@H](CC3=CC=CC(F)=C3)NC(=O)C3=CC(C4=C(Cl)C=NN4C)=C(Cl)S3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "3446": {"pro_comp_id": 2169, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_234_lig_smina_out.mol2", "protac_path": "2169_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCNC[C@H](CC3=CC=CC(F)=C3)NC(=O)C3=CC(C4=C(Cl)C=NN4C)=C(Cl)S3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "3447": {"pro_comp_id": 2170, "tar_path": "LATS1_O95835.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "LATS1_O95835_249_lig_smina_out.mol2", "protac_path": "2170_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCOC3=CC=CC=C3C3=CC=C4N=C(C5=CC=CN=C5N)N(C5=CC=C(C6(N)CCC6)C=C5)C4=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3448": {"pro_comp_id": 2170, "tar_path": "STK17A_Q9UEE5.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "STK17A_Q9UEE5_249_lig_smina_out.mol2", "protac_path": "2170_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCOC3=CC=CC=C3C3=CC=C4N=C(C5=CC=CN=C5N)N(C5=CC=C(C6(N)CCC6)C=C5)C4=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3449": {"pro_comp_id": 2171, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AURKA_O14965_227_lig_smina_out.mol2", "protac_path": "2171_protac.mol2", "smiles": "CC1=CN=C(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)N=C1NC1=CC=CC(S(=O)(=O)NC(C)(C)C)=C1", "label": -1}, "3450": {"pro_comp_id": 2171, "tar_path": "GAK_O14976.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GAK_O14976_227_lig_smina_out.mol2", "protac_path": "2171_protac.mol2", "smiles": "CC1=CN=C(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)N=C1NC1=CC=CC(S(=O)(=O)NC(C)(C)C)=C1", "label": -1}, "3451": {"pro_comp_id": 2171, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "Wee1_P30291_227_lig_smina_out.mol2", "protac_path": "2171_protac.mol2", "smiles": "CC1=CN=C(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)N=C1NC1=CC=CC(S(=O)(=O)NC(C)(C)C)=C1", "label": -1}, "3452": {"pro_comp_id": 2171, "tar_path": "AAK1_Q2M2I8.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AAK1_Q2M2I8_227_lig_smina_out.mol2", "protac_path": "2171_protac.mol2", "smiles": "CC1=CN=C(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)N=C1NC1=CC=CC(S(=O)(=O)NC(C)(C)C)=C1", "label": -1}, "3453": {"pro_comp_id": 2171, "tar_path": "BMP2K_Q9NSY1.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BMP2K_Q9NSY1_227_lig_smina_out.mol2", "protac_path": "2171_protac.mol2", "smiles": "CC1=CN=C(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)N=C1NC1=CC=CC(S(=O)(=O)NC(C)(C)C)=C1", "label": -1}, "3454": {"pro_comp_id": 2172, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AURKA_O14965_241_lig_smina_out.mol2", "protac_path": "2172_protac.mol2", "smiles": "CS(=O)(=O)C1=CC=C(C2=CC=CN3N=C(NC4=CC=CC(N5CCN(CCCCCCNC(=O)COC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)=C4)N=C23)C=C1", "label": -1}, "3455": {"pro_comp_id": 2172, "tar_path": "AAK1_Q2M2I8.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AAK1_Q2M2I8_241_lig_smina_out.mol2", "protac_path": "2172_protac.mol2", "smiles": "CS(=O)(=O)C1=CC=C(C2=CC=CN3N=C(NC4=CC=CC(N5CCN(CCCCCCNC(=O)COC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)=C4)N=C23)C=C1", "label": -1}, "3456": {"pro_comp_id": 2173, "tar_path": "GAK_O14976.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "GAK_O14976_227_lig_smina_out.mol2", "protac_path": "2173_protac.mol2", "smiles": "CC1=CN=C(NC2=CC=C(N3CCN(CCOCCOCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C=C2)N=C1NC1=CC=CC(S(=O)(=O)NC(C)(C)C)=C1", "label": -1}, "3457": {"pro_comp_id": 2173, "tar_path": "AAK1_Q2M2I8.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AAK1_Q2M2I8_227_lig_smina_out.mol2", "protac_path": "2173_protac.mol2", "smiles": "CC1=CN=C(NC2=CC=C(N3CCN(CCOCCOCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C=C2)N=C1NC1=CC=CC(S(=O)(=O)NC(C)(C)C)=C1", "label": -1}, "3458": {"pro_comp_id": 2174, "tar_path": "GAK_O14976.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "GAK_O14976_227_lig_smina_out.mol2", "protac_path": "2174_protac.mol2", "smiles": "CC1=CN=C(NC2=CC=C(N3CCN(CCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C=C2)N=C1NC1=CC=CC(S(=O)(=O)NC(C)(C)C)=C1", "label": -1}, "3459": {"pro_comp_id": 2174, "tar_path": "STK17B_O94768.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "STK17B_O94768_227_lig_smina_out.mol2", "protac_path": "2174_protac.mol2", "smiles": "CC1=CN=C(NC2=CC=C(N3CCN(CCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C=C2)N=C1NC1=CC=CC(S(=O)(=O)NC(C)(C)C)=C1", "label": -1}, "3460": {"pro_comp_id": 2174, "tar_path": "RPS6KB1_P23443.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "RPS6KB1_P23443_227_lig_smina_out.mol2", "protac_path": "2174_protac.mol2", "smiles": "CC1=CN=C(NC2=CC=C(N3CCN(CCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C=C2)N=C1NC1=CC=CC(S(=O)(=O)NC(C)(C)C)=C1", "label": -1}, "3461": {"pro_comp_id": 2174, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "Wee1_P30291_227_lig_smina_out.mol2", "protac_path": "2174_protac.mol2", "smiles": "CC1=CN=C(NC2=CC=C(N3CCN(CCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C=C2)N=C1NC1=CC=CC(S(=O)(=O)NC(C)(C)C)=C1", "label": -1}, "3462": {"pro_comp_id": 2174, "tar_path": "CDK16_Q00536.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "CDK16_Q00536_227_lig_smina_out.mol2", "protac_path": "2174_protac.mol2", "smiles": "CC1=CN=C(NC2=CC=C(N3CCN(CCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C=C2)N=C1NC1=CC=CC(S(=O)(=O)NC(C)(C)C)=C1", "label": -1}, "3463": {"pro_comp_id": 2174, "tar_path": "AAK1_Q2M2I8.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AAK1_Q2M2I8_227_lig_smina_out.mol2", "protac_path": "2174_protac.mol2", "smiles": "CC1=CN=C(NC2=CC=C(N3CCN(CCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C=C2)N=C1NC1=CC=CC(S(=O)(=O)NC(C)(C)C)=C1", "label": -1}, "3464": {"pro_comp_id": 2174, "tar_path": "NEK9_Q8TD19.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NEK9_Q8TD19_227_lig_smina_out.mol2", "protac_path": "2174_protac.mol2", "smiles": "CC1=CN=C(NC2=CC=C(N3CCN(CCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C=C2)N=C1NC1=CC=CC(S(=O)(=O)NC(C)(C)C)=C1", "label": -1}, "3465": {"pro_comp_id": 2174, "tar_path": "MARK4_Q96L34.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MARK4_Q96L34_227_lig_smina_out.mol2", "protac_path": "2174_protac.mol2", "smiles": "CC1=CN=C(NC2=CC=C(N3CCN(CCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C=C2)N=C1NC1=CC=CC(S(=O)(=O)NC(C)(C)C)=C1", "label": -1}, "3466": {"pro_comp_id": 2174, "tar_path": "SIK2_Q9H0K1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SIK2_Q9H0K1_227_lig_smina_out.mol2", "protac_path": "2174_protac.mol2", "smiles": "CC1=CN=C(NC2=CC=C(N3CCN(CCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C=C2)N=C1NC1=CC=CC(S(=O)(=O)NC(C)(C)C)=C1", "label": -1}, "3467": {"pro_comp_id": 2174, "tar_path": "SNRK_Q9NRH2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SNRK_Q9NRH2_227_lig_smina_out.mol2", "protac_path": "2174_protac.mol2", "smiles": "CC1=CN=C(NC2=CC=C(N3CCN(CCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C=C2)N=C1NC1=CC=CC(S(=O)(=O)NC(C)(C)C)=C1", "label": -1}, "3468": {"pro_comp_id": 2174, "tar_path": "STK17A_Q9UEE5.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "STK17A_Q9UEE5_227_lig_smina_out.mol2", "protac_path": "2174_protac.mol2", "smiles": "CC1=CN=C(NC2=CC=C(N3CCN(CCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C=C2)N=C1NC1=CC=CC(S(=O)(=O)NC(C)(C)C)=C1", "label": -1}, "3469": {"pro_comp_id": 2174, "tar_path": "SIK3_Q9Y2K2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SIK3_Q9Y2K2_227_lig_smina_out.mol2", "protac_path": "2174_protac.mol2", "smiles": "CC1=CN=C(NC2=CC=C(N3CCN(CCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C=C2)N=C1NC1=CC=CC(S(=O)(=O)NC(C)(C)C)=C1", "label": -1}, "3470": {"pro_comp_id": 2175, "tar_path": "JAK2_O60674.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "JAK2_O60674_241_lig_smina_out.mol2", "protac_path": "2175_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCN3CCN(C4=CC=CC(NC5=NN6C=CC=C(C7=CC=C(S(C)(=O)=O)C=C7)C6=N5)=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "3471": {"pro_comp_id": 2176, "tar_path": "EPHB2_P29323.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "EPHB2_P29323_263_lig_smina_out.mol2", "protac_path": "2176_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCC3=CC=C(NC4=NC=C5NC(=O)NC6=CC=CC=C6C5=N4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3472": {"pro_comp_id": 2176, "tar_path": "TYK2_P29597.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "TYK2_P29597_263_lig_smina_out.mol2", "protac_path": "2176_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCC3=CC=C(NC4=NC=C5NC(=O)NC6=CC=CC=C6C5=N4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3473": {"pro_comp_id": 2176, "tar_path": "ABL2_P42684.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ABL2_P42684_263_lig_smina_out.mol2", "protac_path": "2176_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCC3=CC=C(NC4=NC=C5NC(=O)NC6=CC=CC=C6C5=N4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3474": {"pro_comp_id": 2176, "tar_path": "SIK2_Q9H0K1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SIK2_Q9H0K1_263_lig_smina_out.mol2", "protac_path": "2176_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCC3=CC=C(NC4=NC=C5NC(=O)NC6=CC=CC=C6C5=N4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3475": {"pro_comp_id": 2177, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AURKA_O14965_67_lig_smina_out.mol2", "protac_path": "2177_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3476": {"pro_comp_id": 2177, "tar_path": "STK10_O94804.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "STK10_O94804_67_lig_smina_out.mol2", "protac_path": "2177_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3477": {"pro_comp_id": 2177, "tar_path": "LCK_P06239.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "LCK_P06239_67_lig_smina_out.mol2", "protac_path": "2177_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3478": {"pro_comp_id": 2177, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK4_P11802_67_lig_smina_out.mol2", "protac_path": "2177_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3479": {"pro_comp_id": 2177, "tar_path": "FER_P16591.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FER_P16591_67_lig_smina_out.mol2", "protac_path": "2177_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3480": {"pro_comp_id": 2177, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK2_P24941_67_lig_smina_out.mol2", "protac_path": "2177_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3481": {"pro_comp_id": 2177, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "Wee1_P30291_67_lig_smina_out.mol2", "protac_path": "2177_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3482": {"pro_comp_id": 2177, "tar_path": "CDK7_P50613.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK7_P50613_67_lig_smina_out.mol2", "protac_path": "2177_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3483": {"pro_comp_id": 2177, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_67_lig_smina_out.mol2", "protac_path": "2177_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3484": {"pro_comp_id": 2177, "tar_path": "BLK_P51451.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BLK_P51451_67_lig_smina_out.mol2", "protac_path": "2177_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3485": {"pro_comp_id": 2177, "tar_path": "LIMK2_P53671.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "LIMK2_P53671_67_lig_smina_out.mol2", "protac_path": "2177_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3486": {"pro_comp_id": 2177, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK6_Q00534_67_lig_smina_out.mol2", "protac_path": "2177_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3487": {"pro_comp_id": 2177, "tar_path": "CDK5_Q00535.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK5_Q00535_67_lig_smina_out.mol2", "protac_path": "2177_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3488": {"pro_comp_id": 2177, "tar_path": "CDK17_Q00537.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK17_Q00537_67_lig_smina_out.mol2", "protac_path": "2177_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3489": {"pro_comp_id": 2177, "tar_path": "ITK_Q08881.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ITK_Q08881_67_lig_smina_out.mol2", "protac_path": "2177_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3490": {"pro_comp_id": 2177, "tar_path": "PRKAA1_Q13131.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PRKAA1_Q13131_67_lig_smina_out.mol2", "protac_path": "2177_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3491": {"pro_comp_id": 2177, "tar_path": "CDK13_Q14004.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK13_Q14004_67_lig_smina_out.mol2", "protac_path": "2177_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3492": {"pro_comp_id": 2177, "tar_path": "PTK2B_Q14289.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PTK2B_Q14289_67_lig_smina_out.mol2", "protac_path": "2177_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3493": {"pro_comp_id": 2177, "tar_path": "AAK1_Q2M2I8.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AAK1_Q2M2I8_67_lig_smina_out.mol2", "protac_path": "2177_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3494": {"pro_comp_id": 2177, "tar_path": "BMP2K_Q9NSY1.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BMP2K_Q9NSY1_67_lig_smina_out.mol2", "protac_path": "2177_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3495": {"pro_comp_id": 2177, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_67_lig_smina_out.mol2", "protac_path": "2177_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3496": {"pro_comp_id": 2178, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AURKA_O14965_228_lig_smina_out.mol2", "protac_path": "2178_protac.mol2", "smiles": "CCC1=C2N=C(N3CCCC[C@H]3CCO)C=C(N(CC3=CC=C(N)N=C3)C(=O)CCOCCOCCOCCNC(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N2N=C1", "label": -1}, "3497": {"pro_comp_id": 2178, "tar_path": "BUB1_O43683.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BUB1_O43683_228_lig_smina_out.mol2", "protac_path": "2178_protac.mol2", "smiles": "CCC1=C2N=C(N3CCCC[C@H]3CCO)C=C(N(CC3=CC=C(N)N=C3)C(=O)CCOCCOCCOCCNC(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N2N=C1", "label": -1}, "3498": {"pro_comp_id": 2178, "tar_path": "NUAK1_O60285.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "NUAK1_O60285_228_lig_smina_out.mol2", "protac_path": "2178_protac.mol2", "smiles": "CCC1=C2N=C(N3CCCC[C@H]3CCO)C=C(N(CC3=CC=C(N)N=C3)C(=O)CCOCCOCCOCCNC(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N2N=C1", "label": -1}, "3499": {"pro_comp_id": 2178, "tar_path": "BUB1B_O60566.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BUB1B_O60566_228_lig_smina_out.mol2", "protac_path": "2178_protac.mol2", "smiles": "CCC1=C2N=C(N3CCCC[C@H]3CCO)C=C(N(CC3=CC=C(N)N=C3)C(=O)CCOCCOCCOCCNC(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N2N=C1", "label": -1}, "3500": {"pro_comp_id": 2178, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_228_lig_smina_out.mol2", "protac_path": "2178_protac.mol2", "smiles": "CCC1=C2N=C(N3CCCC[C@H]3CCO)C=C(N(CC3=CC=C(N)N=C3)C(=O)CCOCCOCCOCCNC(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N2N=C1", "label": -1}, "3501": {"pro_comp_id": 2178, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Wee1_P30291_228_lig_smina_out.mol2", "protac_path": "2178_protac.mol2", "smiles": "CCC1=C2N=C(N3CCCC[C@H]3CCO)C=C(N(CC3=CC=C(N)N=C3)C(=O)CCOCCOCCOCCNC(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N2N=C1", "label": -1}, "3502": {"pro_comp_id": 2178, "tar_path": "TTK_P33981.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TTK_P33981_228_lig_smina_out.mol2", "protac_path": "2178_protac.mol2", "smiles": "CCC1=C2N=C(N3CCCC[C@H]3CCO)C=C(N(CC3=CC=C(N)N=C3)C(=O)CCOCCOCCOCCNC(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N2N=C1", "label": -1}, "3503": {"pro_comp_id": 2178, "tar_path": "CSNK1A1_P48729.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CSNK1A1_P48729_228_lig_smina_out.mol2", "protac_path": "2178_protac.mol2", "smiles": "CCC1=C2N=C(N3CCCC[C@H]3CCO)C=C(N(CC3=CC=C(N)N=C3)C(=O)CCOCCOCCOCCNC(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N2N=C1", "label": -1}, "3504": {"pro_comp_id": 2178, "tar_path": "PLK1_P53350.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PLK1_P53350_228_lig_smina_out.mol2", "protac_path": "2178_protac.mol2", "smiles": "CCC1=C2N=C(N3CCCC[C@H]3CCO)C=C(N(CC3=CC=C(N)N=C3)C(=O)CCOCCOCCOCCNC(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N2N=C1", "label": -1}, "3505": {"pro_comp_id": 2178, "tar_path": "MAP3K1_Q13233.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MAP3K1_Q13233_228_lig_smina_out.mol2", "protac_path": "2178_protac.mol2", "smiles": "CCC1=C2N=C(N3CCCC[C@H]3CCO)C=C(N(CC3=CC=C(N)N=C3)C(=O)CCOCCOCCOCCNC(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N2N=C1", "label": -1}, "3506": {"pro_comp_id": 2178, "tar_path": "UHMK1_Q8TAS1.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "UHMK1_Q8TAS1_228_lig_smina_out.mol2", "protac_path": "2178_protac.mol2", "smiles": "CCC1=C2N=C(N3CCCC[C@H]3CCO)C=C(N(CC3=CC=C(N)N=C3)C(=O)CCOCCOCCOCCNC(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N2N=C1", "label": -1}, "3507": {"pro_comp_id": 2178, "tar_path": "RIOK2_Q9BVS4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "RIOK2_Q9BVS4_228_lig_smina_out.mol2", "protac_path": "2178_protac.mol2", "smiles": "CCC1=C2N=C(N3CCCC[C@H]3CCO)C=C(N(CC3=CC=C(N)N=C3)C(=O)CCOCCOCCOCCNC(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N2N=C1", "label": -1}, "3508": {"pro_comp_id": 2178, "tar_path": "PIM2_Q9P1W9.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PIM2_Q9P1W9_228_lig_smina_out.mol2", "protac_path": "2178_protac.mol2", "smiles": "CCC1=C2N=C(N3CCCC[C@H]3CCO)C=C(N(CC3=CC=C(N)N=C3)C(=O)CCOCCOCCOCCNC(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N2N=C1", "label": -1}, "3509": {"pro_comp_id": 2178, "tar_path": "STK17A_Q9UEE5.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STK17A_Q9UEE5_228_lig_smina_out.mol2", "protac_path": "2178_protac.mol2", "smiles": "CCC1=C2N=C(N3CCCC[C@H]3CCO)C=C(N(CC3=CC=C(N)N=C3)C(=O)CCOCCOCCOCCNC(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N2N=C1", "label": -1}, "3510": {"pro_comp_id": 2179, "tar_path": "CHEK1_O14757.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CHEK1_O14757_71_lig_smina_out.mol2", "protac_path": "2179_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCCN4CCC(NC(=O)C5=C(NC(=O)C6=C(Cl)C=CC=C6Cl)C=N[NH]5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "3511": {"pro_comp_id": 2179, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AURKA_O14965_71_lig_smina_out.mol2", "protac_path": "2179_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCCN4CCC(NC(=O)C5=C(NC(=O)C6=C(Cl)C=CC=C6Cl)C=N[NH]5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "3512": {"pro_comp_id": 2179, "tar_path": "BUB1_O43683.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BUB1_O43683_71_lig_smina_out.mol2", "protac_path": "2179_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCCN4CCC(NC(=O)C5=C(NC(=O)C6=C(Cl)C=CC=C6Cl)C=N[NH]5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "3513": {"pro_comp_id": 2179, "tar_path": "NUAK1_O60285.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "NUAK1_O60285_71_lig_smina_out.mol2", "protac_path": "2179_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCCN4CCC(NC(=O)C5=C(NC(=O)C6=C(Cl)C=CC=C6Cl)C=N[NH]5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "3514": {"pro_comp_id": 2179, "tar_path": "BUB1B_O60566.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BUB1B_O60566_71_lig_smina_out.mol2", "protac_path": "2179_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCCN4CCC(NC(=O)C5=C(NC(=O)C6=C(Cl)C=CC=C6Cl)C=N[NH]5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "3515": {"pro_comp_id": 2179, "tar_path": "ERN1_O75460.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ERN1_O75460_71_lig_smina_out.mol2", "protac_path": "2179_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCCN4CCC(NC(=O)C5=C(NC(=O)C6=C(Cl)C=CC=C6Cl)C=N[NH]5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "3516": {"pro_comp_id": 2179, "tar_path": "STK17B_O94768.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STK17B_O94768_71_lig_smina_out.mol2", "protac_path": "2179_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCCN4CCC(NC(=O)C5=C(NC(=O)C6=C(Cl)C=CC=C6Cl)C=N[NH]5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "3517": {"pro_comp_id": 2179, "tar_path": "CDK14_O94921.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK14_O94921_71_lig_smina_out.mol2", "protac_path": "2179_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCCN4CCC(NC(=O)C5=C(NC(=O)C6=C(Cl)C=CC=C6Cl)C=N[NH]5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "3518": {"pro_comp_id": 2179, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_71_lig_smina_out.mol2", "protac_path": "2179_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCCN4CCC(NC(=O)C5=C(NC(=O)C6=C(Cl)C=CC=C6Cl)C=N[NH]5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "3519": {"pro_comp_id": 2179, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Wee1_P30291_71_lig_smina_out.mol2", "protac_path": "2179_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCCN4CCC(NC(=O)C5=C(NC(=O)C6=C(Cl)C=CC=C6Cl)C=N[NH]5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "3520": {"pro_comp_id": 2179, "tar_path": "TTK_P33981.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TTK_P33981_71_lig_smina_out.mol2", "protac_path": "2179_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCCN4CCC(NC(=O)C5=C(NC(=O)C6=C(Cl)C=CC=C6Cl)C=N[NH]5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "3521": {"pro_comp_id": 2179, "tar_path": "CSNK1A1_P48729.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CSNK1A1_P48729_71_lig_smina_out.mol2", "protac_path": "2179_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCCN4CCC(NC(=O)C5=C(NC(=O)C6=C(Cl)C=CC=C6Cl)C=N[NH]5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "3522": {"pro_comp_id": 2179, "tar_path": "CSNK1D_P48730.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CSNK1D_P48730_71_lig_smina_out.mol2", "protac_path": "2179_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCCN4CCC(NC(=O)C5=C(NC(=O)C6=C(Cl)C=CC=C6Cl)C=N[NH]5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "3523": {"pro_comp_id": 2179, "tar_path": "PIK3CG_P48736.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PIK3CG_P48736_71_lig_smina_out.mol2", "protac_path": "2179_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCCN4CCC(NC(=O)C5=C(NC(=O)C6=C(Cl)C=CC=C6Cl)C=N[NH]5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "3524": {"pro_comp_id": 2179, "tar_path": "CLK1_P49759.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CLK1_P49759_71_lig_smina_out.mol2", "protac_path": "2179_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCCN4CCC(NC(=O)C5=C(NC(=O)C6=C(Cl)C=CC=C6Cl)C=N[NH]5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "3525": {"pro_comp_id": 2179, "tar_path": "GSK3A_P49840.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK3A_P49840_71_lig_smina_out.mol2", "protac_path": "2179_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCCN4CCC(NC(=O)C5=C(NC(=O)C6=C(Cl)C=CC=C6Cl)C=N[NH]5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "3526": {"pro_comp_id": 2179, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_71_lig_smina_out.mol2", "protac_path": "2179_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCCN4CCC(NC(=O)C5=C(NC(=O)C6=C(Cl)C=CC=C6Cl)C=N[NH]5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "3527": {"pro_comp_id": 2179, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK9_P50750_71_lig_smina_out.mol2", "protac_path": "2179_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCCN4CCC(NC(=O)C5=C(NC(=O)C6=C(Cl)C=CC=C6Cl)C=N[NH]5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "3528": {"pro_comp_id": 2179, "tar_path": "PLK1_P53350.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PLK1_P53350_71_lig_smina_out.mol2", "protac_path": "2179_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCCN4CCC(NC(=O)C5=C(NC(=O)C6=C(Cl)C=CC=C6Cl)C=N[NH]5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "3529": {"pro_comp_id": 2179, "tar_path": "DAPK1_P53355.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "DAPK1_P53355_71_lig_smina_out.mol2", "protac_path": "2179_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCCN4CCC(NC(=O)C5=C(NC(=O)C6=C(Cl)C=CC=C6Cl)C=N[NH]5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "3530": {"pro_comp_id": 2179, "tar_path": "CDK17_Q00537.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK17_Q00537_71_lig_smina_out.mol2", "protac_path": "2179_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCCN4CCC(NC(=O)C5=C(NC(=O)C6=C(Cl)C=CC=C6Cl)C=N[NH]5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "3531": {"pro_comp_id": 2179, "tar_path": "MAP3K1_Q13233.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MAP3K1_Q13233_71_lig_smina_out.mol2", "protac_path": "2179_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCCN4CCC(NC(=O)C5=C(NC(=O)C6=C(Cl)C=CC=C6Cl)C=N[NH]5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "3532": {"pro_comp_id": 2179, "tar_path": "CDK13_Q14004.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK13_Q14004_71_lig_smina_out.mol2", "protac_path": "2179_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCCN4CCC(NC(=O)C5=C(NC(=O)C6=C(Cl)C=CC=C6Cl)C=N[NH]5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "3533": {"pro_comp_id": 2179, "tar_path": "UHMK1_Q8TAS1.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "UHMK1_Q8TAS1_71_lig_smina_out.mol2", "protac_path": "2179_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCCN4CCC(NC(=O)C5=C(NC(=O)C6=C(Cl)C=CC=C6Cl)C=N[NH]5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "3534": {"pro_comp_id": 2179, "tar_path": "RIOK2_Q9BVS4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "RIOK2_Q9BVS4_71_lig_smina_out.mol2", "protac_path": "2179_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCCN4CCC(NC(=O)C5=C(NC(=O)C6=C(Cl)C=CC=C6Cl)C=N[NH]5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "3535": {"pro_comp_id": 2179, "tar_path": "PIM2_Q9P1W9.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PIM2_Q9P1W9_71_lig_smina_out.mol2", "protac_path": "2179_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCCN4CCC(NC(=O)C5=C(NC(=O)C6=C(Cl)C=CC=C6Cl)C=N[NH]5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "3536": {"pro_comp_id": 2179, "tar_path": "STK17A_Q9UEE5.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STK17A_Q9UEE5_71_lig_smina_out.mol2", "protac_path": "2179_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCCN4CCC(NC(=O)C5=C(NC(=O)C6=C(Cl)C=CC=C6Cl)C=N[NH]5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "3537": {"pro_comp_id": 2180, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AURKA_O14965_210_lig_smina_out.mol2", "protac_path": "2180_protac.mol2", "smiles": "CS(=O)(=O)NC1=CC=CC(C2=CSC3=CN=C(NC4=CC=C(N5CCN(CCOCCOCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)N=C23)=C1", "label": -1}, "3538": {"pro_comp_id": 2180, "tar_path": "ULK1_O75385.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ULK1_O75385_210_lig_smina_out.mol2", "protac_path": "2180_protac.mol2", "smiles": "CS(=O)(=O)NC1=CC=CC(C2=CSC3=CN=C(NC4=CC=C(N5CCN(CCOCCOCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)N=C23)=C1", "label": -1}, "3539": {"pro_comp_id": 2180, "tar_path": "STK17B_O94768.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "STK17B_O94768_210_lig_smina_out.mol2", "protac_path": "2180_protac.mol2", "smiles": "CS(=O)(=O)NC1=CC=CC(C2=CSC3=CN=C(NC4=CC=C(N5CCN(CCOCCOCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)N=C23)=C1", "label": -1}, "3540": {"pro_comp_id": 2180, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK4_P11802_210_lig_smina_out.mol2", "protac_path": "2180_protac.mol2", "smiles": "CS(=O)(=O)NC1=CC=CC(C2=CSC3=CN=C(NC4=CC=C(N5CCN(CCOCCOCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)N=C23)=C1", "label": -1}, "3541": {"pro_comp_id": 2180, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "Wee1_P30291_210_lig_smina_out.mol2", "protac_path": "2180_protac.mol2", "smiles": "CS(=O)(=O)NC1=CC=CC(C2=CSC3=CN=C(NC4=CC=C(N5CCN(CCOCCOCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)N=C23)=C1", "label": -1}, "3542": {"pro_comp_id": 2180, "tar_path": "LIMK2_P53671.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "LIMK2_P53671_210_lig_smina_out.mol2", "protac_path": "2180_protac.mol2", "smiles": "CS(=O)(=O)NC1=CC=CC(C2=CSC3=CN=C(NC4=CC=C(N5CCN(CCOCCOCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)N=C23)=C1", "label": -1}, "3543": {"pro_comp_id": 2180, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK6_Q00534_210_lig_smina_out.mol2", "protac_path": "2180_protac.mol2", "smiles": "CS(=O)(=O)NC1=CC=CC(C2=CSC3=CN=C(NC4=CC=C(N5CCN(CCOCCOCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)N=C23)=C1", "label": -1}, "3544": {"pro_comp_id": 2180, "tar_path": "PTK2B_Q14289.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PTK2B_Q14289_210_lig_smina_out.mol2", "protac_path": "2180_protac.mol2", "smiles": "CS(=O)(=O)NC1=CC=CC(C2=CSC3=CN=C(NC4=CC=C(N5CCN(CCOCCOCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)N=C23)=C1", "label": -1}, "3545": {"pro_comp_id": 2180, "tar_path": "AAK1_Q2M2I8.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AAK1_Q2M2I8_210_lig_smina_out.mol2", "protac_path": "2180_protac.mol2", "smiles": "CS(=O)(=O)NC1=CC=CC(C2=CSC3=CN=C(NC4=CC=C(N5CCN(CCOCCOCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)N=C23)=C1", "label": -1}, "3546": {"pro_comp_id": 2180, "tar_path": "ULK3_Q6PHR2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ULK3_Q6PHR2_210_lig_smina_out.mol2", "protac_path": "2180_protac.mol2", "smiles": "CS(=O)(=O)NC1=CC=CC(C2=CSC3=CN=C(NC4=CC=C(N5CCN(CCOCCOCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)N=C23)=C1", "label": -1}, "3547": {"pro_comp_id": 2180, "tar_path": "CAMKK1_Q8N5S9.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CAMKK1_Q8N5S9_210_lig_smina_out.mol2", "protac_path": "2180_protac.mol2", "smiles": "CS(=O)(=O)NC1=CC=CC(C2=CSC3=CN=C(NC4=CC=C(N5CCN(CCOCCOCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)N=C23)=C1", "label": -1}, "3548": {"pro_comp_id": 2180, "tar_path": "NEK9_Q8TD19.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "NEK9_Q8TD19_210_lig_smina_out.mol2", "protac_path": "2180_protac.mol2", "smiles": "CS(=O)(=O)NC1=CC=CC(C2=CSC3=CN=C(NC4=CC=C(N5CCN(CCOCCOCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)N=C23)=C1", "label": -1}, "3549": {"pro_comp_id": 2180, "tar_path": "STK17A_Q9UEE5.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "STK17A_Q9UEE5_210_lig_smina_out.mol2", "protac_path": "2180_protac.mol2", "smiles": "CS(=O)(=O)NC1=CC=CC(C2=CSC3=CN=C(NC4=CC=C(N5CCN(CCOCCOCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)N=C23)=C1", "label": -1}, "3550": {"pro_comp_id": 2181, "tar_path": "GAK_O14976.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "GAK_O14976_210_lig_smina_out.mol2", "protac_path": "2181_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3CCN(C4=CC=C(NC5=NC=C6SC=C(C7=CC=CC(NS(C)(=O)=O)=C7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3551": {"pro_comp_id": 2181, "tar_path": "ULK1_O75385.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ULK1_O75385_210_lig_smina_out.mol2", "protac_path": "2181_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3CCN(C4=CC=C(NC5=NC=C6SC=C(C7=CC=CC(NS(C)(=O)=O)=C7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3552": {"pro_comp_id": 2181, "tar_path": "STK17B_O94768.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "STK17B_O94768_210_lig_smina_out.mol2", "protac_path": "2181_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3CCN(C4=CC=C(NC5=NC=C6SC=C(C7=CC=CC(NS(C)(=O)=O)=C7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3553": {"pro_comp_id": 2181, "tar_path": "LATS1_O95835.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "LATS1_O95835_210_lig_smina_out.mol2", "protac_path": "2181_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3CCN(C4=CC=C(NC5=NC=C6SC=C(C7=CC=CC(NS(C)(=O)=O)=C7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3554": {"pro_comp_id": 2181, "tar_path": "CDK1_P06493.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "CDK1_P06493_210_lig_smina_out.mol2", "protac_path": "2181_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3CCN(C4=CC=C(NC5=NC=C6SC=C(C7=CC=CC(NS(C)(=O)=O)=C7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3555": {"pro_comp_id": 2181, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "CDK4_P11802_210_lig_smina_out.mol2", "protac_path": "2181_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3CCN(C4=CC=C(NC5=NC=C6SC=C(C7=CC=CC(NS(C)(=O)=O)=C7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3556": {"pro_comp_id": 2181, "tar_path": "RPS6KB1_P23443.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "RPS6KB1_P23443_210_lig_smina_out.mol2", "protac_path": "2181_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3CCN(C4=CC=C(NC5=NC=C6SC=C(C7=CC=CC(NS(C)(=O)=O)=C7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3557": {"pro_comp_id": 2181, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "CDK2_P24941_210_lig_smina_out.mol2", "protac_path": "2181_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3CCN(C4=CC=C(NC5=NC=C6SC=C(C7=CC=CC(NS(C)(=O)=O)=C7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3558": {"pro_comp_id": 2181, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "Wee1_P30291_210_lig_smina_out.mol2", "protac_path": "2181_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3CCN(C4=CC=C(NC5=NC=C6SC=C(C7=CC=CC(NS(C)(=O)=O)=C7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3559": {"pro_comp_id": 2181, "tar_path": "CDK7_P50613.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "CDK7_P50613_210_lig_smina_out.mol2", "protac_path": "2181_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3CCN(C4=CC=C(NC5=NC=C6SC=C(C7=CC=CC(NS(C)(=O)=O)=C7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3560": {"pro_comp_id": 2181, "tar_path": "LIMK2_P53671.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "LIMK2_P53671_210_lig_smina_out.mol2", "protac_path": "2181_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3CCN(C4=CC=C(NC5=NC=C6SC=C(C7=CC=CC(NS(C)(=O)=O)=C7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3561": {"pro_comp_id": 2181, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "CDK6_Q00534_210_lig_smina_out.mol2", "protac_path": "2181_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3CCN(C4=CC=C(NC5=NC=C6SC=C(C7=CC=CC(NS(C)(=O)=O)=C7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3562": {"pro_comp_id": 2181, "tar_path": "CDK16_Q00536.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "CDK16_Q00536_210_lig_smina_out.mol2", "protac_path": "2181_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3CCN(C4=CC=C(NC5=NC=C6SC=C(C7=CC=CC(NS(C)(=O)=O)=C7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3563": {"pro_comp_id": 2181, "tar_path": "CDK17_Q00537.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "CDK17_Q00537_210_lig_smina_out.mol2", "protac_path": "2181_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3CCN(C4=CC=C(NC5=NC=C6SC=C(C7=CC=CC(NS(C)(=O)=O)=C7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3564": {"pro_comp_id": 2181, "tar_path": "MAPK6_Q16659.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MAPK6_Q16659_210_lig_smina_out.mol2", "protac_path": "2181_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3CCN(C4=CC=C(NC5=NC=C6SC=C(C7=CC=CC(NS(C)(=O)=O)=C7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3565": {"pro_comp_id": 2181, "tar_path": "AAK1_Q2M2I8.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AAK1_Q2M2I8_210_lig_smina_out.mol2", "protac_path": "2181_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3CCN(C4=CC=C(NC5=NC=C6SC=C(C7=CC=CC(NS(C)(=O)=O)=C7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3566": {"pro_comp_id": 2181, "tar_path": "MARK2_Q7KZI7.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MARK2_Q7KZI7_210_lig_smina_out.mol2", "protac_path": "2181_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3CCN(C4=CC=C(NC5=NC=C6SC=C(C7=CC=CC(NS(C)(=O)=O)=C7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3567": {"pro_comp_id": 2181, "tar_path": "MAPKAPK5_Q8IW41.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MAPKAPK5_Q8IW41_210_lig_smina_out.mol2", "protac_path": "2181_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3CCN(C4=CC=C(NC5=NC=C6SC=C(C7=CC=CC(NS(C)(=O)=O)=C7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3568": {"pro_comp_id": 2181, "tar_path": "NEK9_Q8TD19.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NEK9_Q8TD19_210_lig_smina_out.mol2", "protac_path": "2181_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3CCN(C4=CC=C(NC5=NC=C6SC=C(C7=CC=CC(NS(C)(=O)=O)=C7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3569": {"pro_comp_id": 2181, "tar_path": "STK35_Q8TDR2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "STK35_Q8TDR2_210_lig_smina_out.mol2", "protac_path": "2181_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3CCN(C4=CC=C(NC5=NC=C6SC=C(C7=CC=CC(NS(C)(=O)=O)=C7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3570": {"pro_comp_id": 2181, "tar_path": "MARK4_Q96L34.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MARK4_Q96L34_210_lig_smina_out.mol2", "protac_path": "2181_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3CCN(C4=CC=C(NC5=NC=C6SC=C(C7=CC=CC(NS(C)(=O)=O)=C7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3571": {"pro_comp_id": 2181, "tar_path": "SIK2_Q9H0K1.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SIK2_Q9H0K1_210_lig_smina_out.mol2", "protac_path": "2181_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3CCN(C4=CC=C(NC5=NC=C6SC=C(C7=CC=CC(NS(C)(=O)=O)=C7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3572": {"pro_comp_id": 2181, "tar_path": "MKNK2_Q9HBH9.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MKNK2_Q9HBH9_210_lig_smina_out.mol2", "protac_path": "2181_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3CCN(C4=CC=C(NC5=NC=C6SC=C(C7=CC=CC(NS(C)(=O)=O)=C7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3573": {"pro_comp_id": 2181, "tar_path": "SNRK_Q9NRH2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SNRK_Q9NRH2_210_lig_smina_out.mol2", "protac_path": "2181_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3CCN(C4=CC=C(NC5=NC=C6SC=C(C7=CC=CC(NS(C)(=O)=O)=C7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3574": {"pro_comp_id": 2181, "tar_path": "EIF2AK4_Q9P2K8.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "EIF2AK4_Q9P2K8_210_lig_smina_out.mol2", "protac_path": "2181_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3CCN(C4=CC=C(NC5=NC=C6SC=C(C7=CC=CC(NS(C)(=O)=O)=C7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3575": {"pro_comp_id": 2181, "tar_path": "STK17A_Q9UEE5.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "STK17A_Q9UEE5_210_lig_smina_out.mol2", "protac_path": "2181_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3CCN(C4=CC=C(NC5=NC=C6SC=C(C7=CC=CC(NS(C)(=O)=O)=C7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3576": {"pro_comp_id": 2182, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AURKA_O14965_248_lig_smina_out.mol2", "protac_path": "2182_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@H]1CC[C@H](N2CCN(CCOCCNC(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1", "label": -1}, "3577": {"pro_comp_id": 2182, "tar_path": "LATS1_O95835.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "LATS1_O95835_248_lig_smina_out.mol2", "protac_path": "2182_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@H]1CC[C@H](N2CCN(CCOCCNC(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1", "label": -1}, "3578": {"pro_comp_id": 2182, "tar_path": "ABL1_P00519.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ABL1_P00519_248_lig_smina_out.mol2", "protac_path": "2182_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@H]1CC[C@H](N2CCN(CCOCCNC(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1", "label": -1}, "3579": {"pro_comp_id": 2182, "tar_path": "LCK_P06239.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "LCK_P06239_248_lig_smina_out.mol2", "protac_path": "2182_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@H]1CC[C@H](N2CCN(CCOCCNC(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1", "label": -1}, "3580": {"pro_comp_id": 2182, "tar_path": "FYN_P06241.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FYN_P06241_248_lig_smina_out.mol2", "protac_path": "2182_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@H]1CC[C@H](N2CCN(CCOCCNC(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1", "label": -1}, "3581": {"pro_comp_id": 2182, "tar_path": "Src_P12931.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Src_P12931_248_lig_smina_out.mol2", "protac_path": "2182_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@H]1CC[C@H](N2CCN(CCOCCNC(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1", "label": -1}, "3582": {"pro_comp_id": 2182, "tar_path": "CSK_P41240.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CSK_P41240_248_lig_smina_out.mol2", "protac_path": "2182_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@H]1CC[C@H](N2CCN(CCOCCNC(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1", "label": -1}, "3583": {"pro_comp_id": 2182, "tar_path": "ABL2_P42684.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ABL2_P42684_248_lig_smina_out.mol2", "protac_path": "2182_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@H]1CC[C@H](N2CCN(CCOCCNC(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1", "label": -1}, "3584": {"pro_comp_id": 2182, "tar_path": "CSNK1E_P49674.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CSNK1E_P49674_248_lig_smina_out.mol2", "protac_path": "2182_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@H]1CC[C@H](N2CCN(CCOCCNC(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1", "label": -1}, "3585": {"pro_comp_id": 2182, "tar_path": "BLK_P51451.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BLK_P51451_248_lig_smina_out.mol2", "protac_path": "2182_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@H]1CC[C@H](N2CCN(CCOCCNC(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1", "label": -1}, "3586": {"pro_comp_id": 2182, "tar_path": "LIMK1_P53667.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "LIMK1_P53667_248_lig_smina_out.mol2", "protac_path": "2182_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@H]1CC[C@H](N2CCN(CCOCCNC(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1", "label": -1}, "3587": {"pro_comp_id": 2182, "tar_path": "MAP2K5_Q13163.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MAP2K5_Q13163_248_lig_smina_out.mol2", "protac_path": "2182_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@H]1CC[C@H](N2CCN(CCOCCNC(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1", "label": -1}, "3588": {"pro_comp_id": 2183, "tar_path": "GAK_O14976.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GAK_O14976_196_lig_smina_out.mol2", "protac_path": "2183_protac.mol2", "smiles": "CC1=CC=C(C(=O)NC2=CC=C(CN3CCN(CCCOCCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C(C(F)(F)F)=C2)C=C1C#CC1=CN=C2C=CC=NN12", "label": -1}, "3589": {"pro_comp_id": 2183, "tar_path": "MAP3K7_O43318.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MAP3K7_O43318_196_lig_smina_out.mol2", "protac_path": "2183_protac.mol2", "smiles": "CC1=CC=C(C(=O)NC2=CC=C(CN3CCN(CCCOCCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C(C(F)(F)F)=C2)C=C1C#CC1=CN=C2C=CC=NN12", "label": -1}, "3590": {"pro_comp_id": 2183, "tar_path": "RIPK2_O43353.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "RIPK2_O43353_196_lig_smina_out.mol2", "protac_path": "2183_protac.mol2", "smiles": "CC1=CC=C(C(=O)NC2=CC=C(CN3CCN(CCCOCCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C(C(F)(F)F)=C2)C=C1C#CC1=CN=C2C=CC=NN12", "label": -1}, "3591": {"pro_comp_id": 2183, "tar_path": "STK10_O94804.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "STK10_O94804_196_lig_smina_out.mol2", "protac_path": "2183_protac.mol2", "smiles": "CC1=CC=C(C(=O)NC2=CC=C(CN3CCN(CCCOCCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C(C(F)(F)F)=C2)C=C1C#CC1=CN=C2C=CC=NN12", "label": -1}, "3592": {"pro_comp_id": 2183, "tar_path": "CDK14_O94921.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK14_O94921_196_lig_smina_out.mol2", "protac_path": "2183_protac.mol2", "smiles": "CC1=CC=C(C(=O)NC2=CC=C(CN3CCN(CCCOCCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C(C(F)(F)F)=C2)C=C1C#CC1=CN=C2C=CC=NN12", "label": -1}, "3593": {"pro_comp_id": 2183, "tar_path": "ABL1_P00519.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ABL1_P00519_196_lig_smina_out.mol2", "protac_path": "2183_protac.mol2", "smiles": "CC1=CC=C(C(=O)NC2=CC=C(CN3CCN(CCCOCCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C(C(F)(F)F)=C2)C=C1C#CC1=CN=C2C=CC=NN12", "label": -1}, "3594": {"pro_comp_id": 2183, "tar_path": "LCK_P06239.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "LCK_P06239_196_lig_smina_out.mol2", "protac_path": "2183_protac.mol2", "smiles": "CC1=CC=C(C(=O)NC2=CC=C(CN3CCN(CCCOCCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C(C(F)(F)F)=C2)C=C1C#CC1=CN=C2C=CC=NN12", "label": -1}, "3595": {"pro_comp_id": 2183, "tar_path": "FYN_P06241.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FYN_P06241_196_lig_smina_out.mol2", "protac_path": "2183_protac.mol2", "smiles": "CC1=CC=C(C(=O)NC2=CC=C(CN3CCN(CCCOCCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C(C(F)(F)F)=C2)C=C1C#CC1=CN=C2C=CC=NN12", "label": -1}, "3596": {"pro_comp_id": 2183, "tar_path": "YES1_P07947.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "YES1_P07947_196_lig_smina_out.mol2", "protac_path": "2183_protac.mol2", "smiles": "CC1=CC=C(C(=O)NC2=CC=C(CN3CCN(CCCOCCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C(C(F)(F)F)=C2)C=C1C#CC1=CN=C2C=CC=NN12", "label": -1}, "3597": {"pro_comp_id": 2183, "tar_path": "LYN_P07948.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "LYN_P07948_196_lig_smina_out.mol2", "protac_path": "2183_protac.mol2", "smiles": "CC1=CC=C(C(=O)NC2=CC=C(CN3CCN(CCCOCCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C(C(F)(F)F)=C2)C=C1C#CC1=CN=C2C=CC=NN12", "label": -1}, "3598": {"pro_comp_id": 2183, "tar_path": "Src_P12931.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "Src_P12931_196_lig_smina_out.mol2", "protac_path": "2183_protac.mol2", "smiles": "CC1=CC=C(C(=O)NC2=CC=C(CN3CCN(CCCOCCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C(C(F)(F)F)=C2)C=C1C#CC1=CN=C2C=CC=NN12", "label": -1}, "3599": {"pro_comp_id": 2183, "tar_path": "FER_P16591.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FER_P16591_196_lig_smina_out.mol2", "protac_path": "2183_protac.mol2", "smiles": "CC1=CC=C(C(=O)NC2=CC=C(CN3CCN(CCCOCCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C(C(F)(F)F)=C2)C=C1C#CC1=CN=C2C=CC=NN12", "label": -1}, "3600": {"pro_comp_id": 2183, "tar_path": "EPHA1_P21709.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EPHA1_P21709_196_lig_smina_out.mol2", "protac_path": "2183_protac.mol2", "smiles": "CC1=CC=C(C(=O)NC2=CC=C(CN3CCN(CCCOCCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C(C(F)(F)F)=C2)C=C1C#CC1=CN=C2C=CC=NN12", "label": -1}, "3601": {"pro_comp_id": 2183, "tar_path": "EPHA2_P29317.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EPHA2_P29317_196_lig_smina_out.mol2", "protac_path": "2183_protac.mol2", "smiles": "CC1=CC=C(C(=O)NC2=CC=C(CN3CCN(CCCOCCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C(C(F)(F)F)=C2)C=C1C#CC1=CN=C2C=CC=NN12", "label": -1}, "3602": {"pro_comp_id": 2183, "tar_path": "ABL2_P42684.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ABL2_P42684_196_lig_smina_out.mol2", "protac_path": "2183_protac.mol2", "smiles": "CC1=CC=C(C(=O)NC2=CC=C(CN3CCN(CCCOCCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C(C(F)(F)F)=C2)C=C1C#CC1=CN=C2C=CC=NN12", "label": -1}, "3603": {"pro_comp_id": 2183, "tar_path": "BLK_P51451.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BLK_P51451_196_lig_smina_out.mol2", "protac_path": "2183_protac.mol2", "smiles": "CC1=CC=C(C(=O)NC2=CC=C(CN3CCN(CCCOCCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C(C(F)(F)F)=C2)C=C1C#CC1=CN=C2C=CC=NN12", "label": -1}, "3604": {"pro_comp_id": 2183, "tar_path": "IRAK1_P51617.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IRAK1_P51617_196_lig_smina_out.mol2", "protac_path": "2183_protac.mol2", "smiles": "CC1=CC=C(C(=O)NC2=CC=C(CN3CCN(CCCOCCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C(C(F)(F)F)=C2)C=C1C#CC1=CN=C2C=CC=NN12", "label": -1}, "3605": {"pro_comp_id": 2183, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK6_Q00534_196_lig_smina_out.mol2", "protac_path": "2183_protac.mol2", "smiles": "CC1=CC=C(C(=O)NC2=CC=C(CN3CCN(CCCOCCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C(C(F)(F)F)=C2)C=C1C#CC1=CN=C2C=CC=NN12", "label": -1}, "3606": {"pro_comp_id": 2183, "tar_path": "CDK5_Q00535.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK5_Q00535_196_lig_smina_out.mol2", "protac_path": "2183_protac.mol2", "smiles": "CC1=CC=C(C(=O)NC2=CC=C(CN3CCN(CCCOCCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C(C(F)(F)F)=C2)C=C1C#CC1=CN=C2C=CC=NN12", "label": -1}, "3607": {"pro_comp_id": 2183, "tar_path": "CDK17_Q00537.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK17_Q00537_196_lig_smina_out.mol2", "protac_path": "2183_protac.mol2", "smiles": "CC1=CC=C(C(=O)NC2=CC=C(CN3CCN(CCCOCCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C(C(F)(F)F)=C2)C=C1C#CC1=CN=C2C=CC=NN12", "label": -1}, "3608": {"pro_comp_id": 2183, "tar_path": "MAP4K2_Q12851.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MAP4K2_Q12851_196_lig_smina_out.mol2", "protac_path": "2183_protac.mol2", "smiles": "CC1=CC=C(C(=O)NC2=CC=C(CN3CCN(CCCOCCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C(C(F)(F)F)=C2)C=C1C#CC1=CN=C2C=CC=NN12", "label": -1}, "3609": {"pro_comp_id": 2183, "tar_path": "MAP3K1_Q13233.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MAP3K1_Q13233_196_lig_smina_out.mol2", "protac_path": "2183_protac.mol2", "smiles": "CC1=CC=C(C(=O)NC2=CC=C(CN3CCN(CCCOCCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C(C(F)(F)F)=C2)C=C1C#CC1=CN=C2C=CC=NN12", "label": -1}, "3610": {"pro_comp_id": 2183, "tar_path": "RIPK1_Q13546.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "RIPK1_Q13546_196_lig_smina_out.mol2", "protac_path": "2183_protac.mol2", "smiles": "CC1=CC=C(C(=O)NC2=CC=C(CN3CCN(CCCOCCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C(C(F)(F)F)=C2)C=C1C#CC1=CN=C2C=CC=NN12", "label": -1}, "3611": {"pro_comp_id": 2183, "tar_path": "PDK1_Q15118.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PDK1_Q15118_196_lig_smina_out.mol2", "protac_path": "2183_protac.mol2", "smiles": "CC1=CC=C(C(=O)NC2=CC=C(CN3CCN(CCCOCCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C(C(F)(F)F)=C2)C=C1C#CC1=CN=C2C=CC=NN12", "label": -1}, "3612": {"pro_comp_id": 2183, "tar_path": "PDK2_Q15119.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PDK2_Q15119_196_lig_smina_out.mol2", "protac_path": "2183_protac.mol2", "smiles": "CC1=CC=C(C(=O)NC2=CC=C(CN3CCN(CCCOCCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C(C(F)(F)F)=C2)C=C1C#CC1=CN=C2C=CC=NN12", "label": -1}, "3613": {"pro_comp_id": 2183, "tar_path": "PDK3_Q15120.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PDK3_Q15120_196_lig_smina_out.mol2", "protac_path": "2183_protac.mol2", "smiles": "CC1=CC=C(C(=O)NC2=CC=C(CN3CCN(CCCOCCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C(C(F)(F)F)=C2)C=C1C#CC1=CN=C2C=CC=NN12", "label": -1}, "3614": {"pro_comp_id": 2183, "tar_path": "p38alpha_Q16539.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "p38alpha_Q16539_196_lig_smina_out.mol2", "protac_path": "2183_protac.mol2", "smiles": "CC1=CC=C(C(=O)NC2=CC=C(CN3CCN(CCCOCCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C(C(F)(F)F)=C2)C=C1C#CC1=CN=C2C=CC=NN12", "label": -1}, "3615": {"pro_comp_id": 2183, "tar_path": "COQ8A_Q8NI60.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "COQ8A_Q8NI60_196_lig_smina_out.mol2", "protac_path": "2183_protac.mol2", "smiles": "CC1=CC=C(C(=O)NC2=CC=C(CN3CCN(CCCOCCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C(C(F)(F)F)=C2)C=C1C#CC1=CN=C2C=CC=NN12", "label": -1}, "3616": {"pro_comp_id": 2183, "tar_path": "TAOK3_Q9H2K8.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "TAOK3_Q9H2K8_196_lig_smina_out.mol2", "protac_path": "2183_protac.mol2", "smiles": "CC1=CC=C(C(=O)NC2=CC=C(CN3CCN(CCCOCCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C(C(F)(F)F)=C2)C=C1C#CC1=CN=C2C=CC=NN12", "label": -1}, "3617": {"pro_comp_id": 2183, "tar_path": "MAP3K20_Q9NYL2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MAP3K20_Q9NYL2_196_lig_smina_out.mol2", "protac_path": "2183_protac.mol2", "smiles": "CC1=CC=C(C(=O)NC2=CC=C(CN3CCN(CCCOCCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C(C(F)(F)F)=C2)C=C1C#CC1=CN=C2C=CC=NN12", "label": -1}, "3618": {"pro_comp_id": 2183, "tar_path": "MAP4K5_Q9Y4K4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MAP4K5_Q9Y4K4_196_lig_smina_out.mol2", "protac_path": "2183_protac.mol2", "smiles": "CC1=CC=C(C(=O)NC2=CC=C(CN3CCN(CCCOCCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C(C(F)(F)F)=C2)C=C1C#CC1=CN=C2C=CC=NN12", "label": -1}, "3619": {"pro_comp_id": 2184, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AURKA_O14965_212_lig_smina_out.mol2", "protac_path": "2184_protac.mol2", "smiles": "N#CCC1=CC=C(NC2=NC(NCCCNC(=O)CCCCCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=CC(NC3=CC(C4CC4)=N[NH]3)=N2)C=C1", "label": -1}, "3620": {"pro_comp_id": 2184, "tar_path": "GSK3A_P49840.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GSK3A_P49840_212_lig_smina_out.mol2", "protac_path": "2184_protac.mol2", "smiles": "N#CCC1=CC=C(NC2=NC(NCCCNC(=O)CCCCCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=CC(NC3=CC(C4CC4)=N[NH]3)=N2)C=C1", "label": -1}, "3621": {"pro_comp_id": 2184, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_212_lig_smina_out.mol2", "protac_path": "2184_protac.mol2", "smiles": "N#CCC1=CC=C(NC2=NC(NCCCNC(=O)CCCCCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=CC(NC3=CC(C4CC4)=N[NH]3)=N2)C=C1", "label": -1}, "3622": {"pro_comp_id": 2184, "tar_path": "AAK1_Q2M2I8.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AAK1_Q2M2I8_212_lig_smina_out.mol2", "protac_path": "2184_protac.mol2", "smiles": "N#CCC1=CC=C(NC2=NC(NCCCNC(=O)CCCCCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=CC(NC3=CC(C4CC4)=N[NH]3)=N2)C=C1", "label": -1}, "3623": {"pro_comp_id": 2184, "tar_path": "BMP2K_Q9NSY1.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BMP2K_Q9NSY1_212_lig_smina_out.mol2", "protac_path": "2184_protac.mol2", "smiles": "N#CCC1=CC=C(NC2=NC(NCCCNC(=O)CCCCCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=CC(NC3=CC(C4CC4)=N[NH]3)=N2)C=C1", "label": -1}, "3624": {"pro_comp_id": 2185, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AURKA_O14965_236_lig_smina_out.mol2", "protac_path": "2185_protac.mol2", "smiles": "CN1C(=O)C(C2=C(Cl)C=CC=C2Cl)=CC2=CN=C(NC3=CC=C(OCCNC(=O)CCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)N=C21", "label": -1}, "3625": {"pro_comp_id": 2185, "tar_path": "GAK_O14976.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GAK_O14976_236_lig_smina_out.mol2", "protac_path": "2185_protac.mol2", "smiles": "CN1C(=O)C(C2=C(Cl)C=CC=C2Cl)=CC2=CN=C(NC3=CC=C(OCCNC(=O)CCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)N=C21", "label": -1}, "3626": {"pro_comp_id": 2185, "tar_path": "EPHB6_O15197.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EPHB6_O15197_236_lig_smina_out.mol2", "protac_path": "2185_protac.mol2", "smiles": "CN1C(=O)C(C2=C(Cl)C=CC=C2Cl)=CC2=CN=C(NC3=CC=C(OCCNC(=O)CCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)N=C21", "label": -1}, "3627": {"pro_comp_id": 2185, "tar_path": "ABL1_P00519.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ABL1_P00519_236_lig_smina_out.mol2", "protac_path": "2185_protac.mol2", "smiles": "CN1C(=O)C(C2=C(Cl)C=CC=C2Cl)=CC2=CN=C(NC3=CC=C(OCCNC(=O)CCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)N=C21", "label": -1}, "3628": {"pro_comp_id": 2185, "tar_path": "LCK_P06239.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "LCK_P06239_236_lig_smina_out.mol2", "protac_path": "2185_protac.mol2", "smiles": "CN1C(=O)C(C2=C(Cl)C=CC=C2Cl)=CC2=CN=C(NC3=CC=C(OCCNC(=O)CCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)N=C21", "label": -1}, "3629": {"pro_comp_id": 2185, "tar_path": "FYN_P06241.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FYN_P06241_236_lig_smina_out.mol2", "protac_path": "2185_protac.mol2", "smiles": "CN1C(=O)C(C2=C(Cl)C=CC=C2Cl)=CC2=CN=C(NC3=CC=C(OCCNC(=O)CCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)N=C21", "label": -1}, "3630": {"pro_comp_id": 2185, "tar_path": "YES1_P07947.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "YES1_P07947_236_lig_smina_out.mol2", "protac_path": "2185_protac.mol2", "smiles": "CN1C(=O)C(C2=C(Cl)C=CC=C2Cl)=CC2=CN=C(NC3=CC=C(OCCNC(=O)CCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)N=C21", "label": -1}, "3631": {"pro_comp_id": 2185, "tar_path": "Src_P12931.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "Src_P12931_236_lig_smina_out.mol2", "protac_path": "2185_protac.mol2", "smiles": "CN1C(=O)C(C2=C(Cl)C=CC=C2Cl)=CC2=CN=C(NC3=CC=C(OCCNC(=O)CCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)N=C21", "label": -1}, "3632": {"pro_comp_id": 2185, "tar_path": "EPHA3_P29320.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EPHA3_P29320_236_lig_smina_out.mol2", "protac_path": "2185_protac.mol2", "smiles": "CN1C(=O)C(C2=C(Cl)C=CC=C2Cl)=CC2=CN=C(NC3=CC=C(OCCNC(=O)CCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)N=C21", "label": -1}, "3633": {"pro_comp_id": 2185, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "Wee1_P30291_236_lig_smina_out.mol2", "protac_path": "2185_protac.mol2", "smiles": "CN1C(=O)C(C2=C(Cl)C=CC=C2Cl)=CC2=CN=C(NC3=CC=C(OCCNC(=O)CCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)N=C21", "label": -1}, "3634": {"pro_comp_id": 2185, "tar_path": "CSK_P41240.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CSK_P41240_236_lig_smina_out.mol2", "protac_path": "2185_protac.mol2", "smiles": "CN1C(=O)C(C2=C(Cl)C=CC=C2Cl)=CC2=CN=C(NC3=CC=C(OCCNC(=O)CCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)N=C21", "label": -1}, "3635": {"pro_comp_id": 2185, "tar_path": "ABL2_P42684.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ABL2_P42684_236_lig_smina_out.mol2", "protac_path": "2185_protac.mol2", "smiles": "CN1C(=O)C(C2=C(Cl)C=CC=C2Cl)=CC2=CN=C(NC3=CC=C(OCCNC(=O)CCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)N=C21", "label": -1}, "3636": {"pro_comp_id": 2185, "tar_path": "BLK_P51451.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BLK_P51451_236_lig_smina_out.mol2", "protac_path": "2185_protac.mol2", "smiles": "CN1C(=O)C(C2=C(Cl)C=CC=C2Cl)=CC2=CN=C(NC3=CC=C(OCCNC(=O)CCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)N=C21", "label": -1}, "3637": {"pro_comp_id": 2185, "tar_path": "LIMK2_P53671.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "LIMK2_P53671_236_lig_smina_out.mol2", "protac_path": "2185_protac.mol2", "smiles": "CN1C(=O)C(C2=C(Cl)C=CC=C2Cl)=CC2=CN=C(NC3=CC=C(OCCNC(=O)CCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)N=C21", "label": -1}, "3638": {"pro_comp_id": 2185, "tar_path": "TNK2_Q07912.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "TNK2_Q07912_236_lig_smina_out.mol2", "protac_path": "2185_protac.mol2", "smiles": "CN1C(=O)C(C2=C(Cl)C=CC=C2Cl)=CC2=CN=C(NC3=CC=C(OCCNC(=O)CCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)N=C21", "label": -1}, "3639": {"pro_comp_id": 2185, "tar_path": "PDK1_Q15118.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PDK1_Q15118_236_lig_smina_out.mol2", "protac_path": "2185_protac.mol2", "smiles": "CN1C(=O)C(C2=C(Cl)C=CC=C2Cl)=CC2=CN=C(NC3=CC=C(OCCNC(=O)CCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)N=C21", "label": -1}, "3640": {"pro_comp_id": 2185, "tar_path": "p38alpha_Q16539.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "p38alpha_Q16539_236_lig_smina_out.mol2", "protac_path": "2185_protac.mol2", "smiles": "CN1C(=O)C(C2=C(Cl)C=CC=C2Cl)=CC2=CN=C(NC3=CC=C(OCCNC(=O)CCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)N=C21", "label": -1}, "3641": {"pro_comp_id": 2185, "tar_path": "PKMYT1_Q99640.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PKMYT1_Q99640_236_lig_smina_out.mol2", "protac_path": "2185_protac.mol2", "smiles": "CN1C(=O)C(C2=C(Cl)C=CC=C2Cl)=CC2=CN=C(NC3=CC=C(OCCNC(=O)CCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)N=C21", "label": -1}, "3642": {"pro_comp_id": 2185, "tar_path": "SIK2_Q9H0K1.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "SIK2_Q9H0K1_236_lig_smina_out.mol2", "protac_path": "2185_protac.mol2", "smiles": "CN1C(=O)C(C2=C(Cl)C=CC=C2Cl)=CC2=CN=C(NC3=CC=C(OCCNC(=O)CCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)N=C21", "label": -1}, "3643": {"pro_comp_id": 2185, "tar_path": "NLK_Q9UBE8.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "NLK_Q9UBE8_236_lig_smina_out.mol2", "protac_path": "2185_protac.mol2", "smiles": "CN1C(=O)C(C2=C(Cl)C=CC=C2Cl)=CC2=CN=C(NC3=CC=C(OCCNC(=O)CCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)N=C21", "label": -1}, "3644": {"pro_comp_id": 2186, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AURKA_O14965_255_lig_smina_out.mol2", "protac_path": "2186_protac.mol2", "smiles": "O=C(CCCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOC1=CC=C(NC2=NC=C3C=CC(=O)N(C4CC5CCC4C5)C3=N2)C=C1", "label": -1}, "3645": {"pro_comp_id": 2186, "tar_path": "FGFR2_P21802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FGFR2_P21802_255_lig_smina_out.mol2", "protac_path": "2186_protac.mol2", "smiles": "O=C(CCCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOC1=CC=C(NC2=NC=C3C=CC(=O)N(C4CC5CCC4C5)C3=N2)C=C1", "label": -1}, "3646": {"pro_comp_id": 2186, "tar_path": "TTK_P33981.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "TTK_P33981_255_lig_smina_out.mol2", "protac_path": "2186_protac.mol2", "smiles": "O=C(CCCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOC1=CC=C(NC2=NC=C3C=CC(=O)N(C4CC5CCC4C5)C3=N2)C=C1", "label": -1}, "3647": {"pro_comp_id": 2186, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_255_lig_smina_out.mol2", "protac_path": "2186_protac.mol2", "smiles": "O=C(CCCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOC1=CC=C(NC2=NC=C3C=CC(=O)N(C4CC5CCC4C5)C3=N2)C=C1", "label": -1}, "3648": {"pro_comp_id": 2186, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK6_Q00534_255_lig_smina_out.mol2", "protac_path": "2186_protac.mol2", "smiles": "O=C(CCCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOC1=CC=C(NC2=NC=C3C=CC(=O)N(C4CC5CCC4C5)C3=N2)C=C1", "label": -1}, "3649": {"pro_comp_id": 2186, "tar_path": "AAK1_Q2M2I8.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AAK1_Q2M2I8_255_lig_smina_out.mol2", "protac_path": "2186_protac.mol2", "smiles": "O=C(CCCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOC1=CC=C(NC2=NC=C3C=CC(=O)N(C4CC5CCC4C5)C3=N2)C=C1", "label": -1}, "3650": {"pro_comp_id": 2186, "tar_path": "AURKB_Q96GD4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AURKB_Q96GD4_255_lig_smina_out.mol2", "protac_path": "2186_protac.mol2", "smiles": "O=C(CCCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOC1=CC=C(NC2=NC=C3C=CC(=O)N(C4CC5CCC4C5)C3=N2)C=C1", "label": -1}, "3651": {"pro_comp_id": 2186, "tar_path": "STK17A_Q9UEE5.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "STK17A_Q9UEE5_255_lig_smina_out.mol2", "protac_path": "2186_protac.mol2", "smiles": "O=C(CCCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOC1=CC=C(NC2=NC=C3C=CC(=O)N(C4CC5CCC4C5)C3=N2)C=C1", "label": -1}, "3652": {"pro_comp_id": 2187, "tar_path": "LATS1_O95835.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "LATS1_O95835_248_lig_smina_out.mol2", "protac_path": "2187_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@H]1CC[C@H](N2CCN(CCCCCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1", "label": -1}, "3653": {"pro_comp_id": 2187, "tar_path": "ABL1_P00519.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ABL1_P00519_248_lig_smina_out.mol2", "protac_path": "2187_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@H]1CC[C@H](N2CCN(CCCCCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1", "label": -1}, "3654": {"pro_comp_id": 2187, "tar_path": "LCK_P06239.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "LCK_P06239_248_lig_smina_out.mol2", "protac_path": "2187_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@H]1CC[C@H](N2CCN(CCCCCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1", "label": -1}, "3655": {"pro_comp_id": 2187, "tar_path": "FYN_P06241.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FYN_P06241_248_lig_smina_out.mol2", "protac_path": "2187_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@H]1CC[C@H](N2CCN(CCCCCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1", "label": -1}, "3656": {"pro_comp_id": 2187, "tar_path": "Src_P12931.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "Src_P12931_248_lig_smina_out.mol2", "protac_path": "2187_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@H]1CC[C@H](N2CCN(CCCCCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1", "label": -1}, "3657": {"pro_comp_id": 2187, "tar_path": "CSK_P41240.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CSK_P41240_248_lig_smina_out.mol2", "protac_path": "2187_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@H]1CC[C@H](N2CCN(CCCCCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1", "label": -1}, "3658": {"pro_comp_id": 2187, "tar_path": "ABL2_P42684.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ABL2_P42684_248_lig_smina_out.mol2", "protac_path": "2187_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@H]1CC[C@H](N2CCN(CCCCCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1", "label": -1}, "3659": {"pro_comp_id": 2187, "tar_path": "CSNK1E_P49674.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CSNK1E_P49674_248_lig_smina_out.mol2", "protac_path": "2187_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@H]1CC[C@H](N2CCN(CCCCCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1", "label": -1}, "3660": {"pro_comp_id": 2187, "tar_path": "BLK_P51451.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BLK_P51451_248_lig_smina_out.mol2", "protac_path": "2187_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@H]1CC[C@H](N2CCN(CCCCCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1", "label": -1}, "3661": {"pro_comp_id": 2187, "tar_path": "LIMK1_P53667.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "LIMK1_P53667_248_lig_smina_out.mol2", "protac_path": "2187_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@H]1CC[C@H](N2CCN(CCCCCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1", "label": -1}, "3662": {"pro_comp_id": 2187, "tar_path": "MAP2K5_Q13163.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MAP2K5_Q13163_248_lig_smina_out.mol2", "protac_path": "2187_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@H]1CC[C@H](N2CCN(CCCCCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1", "label": -1}, "3663": {"pro_comp_id": 2188, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AURKA_O14965_67_lig_smina_out.mol2", "protac_path": "2188_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3664": {"pro_comp_id": 2188, "tar_path": "LCK_P06239.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "LCK_P06239_67_lig_smina_out.mol2", "protac_path": "2188_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3665": {"pro_comp_id": 2188, "tar_path": "FER_P16591.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FER_P16591_67_lig_smina_out.mol2", "protac_path": "2188_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3666": {"pro_comp_id": 2188, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK2_P24941_67_lig_smina_out.mol2", "protac_path": "2188_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3667": {"pro_comp_id": 2188, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Wee1_P30291_67_lig_smina_out.mol2", "protac_path": "2188_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3668": {"pro_comp_id": 2188, "tar_path": "CDK7_P50613.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK7_P50613_67_lig_smina_out.mol2", "protac_path": "2188_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3669": {"pro_comp_id": 2188, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK9_P50750_67_lig_smina_out.mol2", "protac_path": "2188_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3670": {"pro_comp_id": 2188, "tar_path": "BLK_P51451.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BLK_P51451_67_lig_smina_out.mol2", "protac_path": "2188_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3671": {"pro_comp_id": 2188, "tar_path": "LIMK2_P53671.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "LIMK2_P53671_67_lig_smina_out.mol2", "protac_path": "2188_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3672": {"pro_comp_id": 2188, "tar_path": "CDK5_Q00535.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK5_Q00535_67_lig_smina_out.mol2", "protac_path": "2188_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3673": {"pro_comp_id": 2188, "tar_path": "CDK17_Q00537.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK17_Q00537_67_lig_smina_out.mol2", "protac_path": "2188_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3674": {"pro_comp_id": 2188, "tar_path": "ITK_Q08881.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ITK_Q08881_67_lig_smina_out.mol2", "protac_path": "2188_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3675": {"pro_comp_id": 2188, "tar_path": "PTK2B_Q14289.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PTK2B_Q14289_67_lig_smina_out.mol2", "protac_path": "2188_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3676": {"pro_comp_id": 2188, "tar_path": "AAK1_Q2M2I8.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AAK1_Q2M2I8_67_lig_smina_out.mol2", "protac_path": "2188_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3677": {"pro_comp_id": 2188, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_67_lig_smina_out.mol2", "protac_path": "2188_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3678": {"pro_comp_id": 2189, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AURKA_O14965_67_lig_smina_out.mol2", "protac_path": "2189_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3679": {"pro_comp_id": 2189, "tar_path": "STK10_O94804.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "STK10_O94804_67_lig_smina_out.mol2", "protac_path": "2189_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3680": {"pro_comp_id": 2189, "tar_path": "LCK_P06239.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "LCK_P06239_67_lig_smina_out.mol2", "protac_path": "2189_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3681": {"pro_comp_id": 2189, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK4_P11802_67_lig_smina_out.mol2", "protac_path": "2189_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3682": {"pro_comp_id": 2189, "tar_path": "FER_P16591.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FER_P16591_67_lig_smina_out.mol2", "protac_path": "2189_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3683": {"pro_comp_id": 2189, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK2_P24941_67_lig_smina_out.mol2", "protac_path": "2189_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3684": {"pro_comp_id": 2189, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "Wee1_P30291_67_lig_smina_out.mol2", "protac_path": "2189_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3685": {"pro_comp_id": 2189, "tar_path": "CDK7_P50613.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK7_P50613_67_lig_smina_out.mol2", "protac_path": "2189_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3686": {"pro_comp_id": 2189, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_67_lig_smina_out.mol2", "protac_path": "2189_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3687": {"pro_comp_id": 2189, "tar_path": "BLK_P51451.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BLK_P51451_67_lig_smina_out.mol2", "protac_path": "2189_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3688": {"pro_comp_id": 2189, "tar_path": "LIMK2_P53671.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "LIMK2_P53671_67_lig_smina_out.mol2", "protac_path": "2189_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3689": {"pro_comp_id": 2189, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK6_Q00534_67_lig_smina_out.mol2", "protac_path": "2189_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3690": {"pro_comp_id": 2189, "tar_path": "CDK5_Q00535.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK5_Q00535_67_lig_smina_out.mol2", "protac_path": "2189_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3691": {"pro_comp_id": 2189, "tar_path": "CDK17_Q00537.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK17_Q00537_67_lig_smina_out.mol2", "protac_path": "2189_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3692": {"pro_comp_id": 2189, "tar_path": "ITK_Q08881.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ITK_Q08881_67_lig_smina_out.mol2", "protac_path": "2189_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3693": {"pro_comp_id": 2189, "tar_path": "PTK2B_Q14289.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PTK2B_Q14289_67_lig_smina_out.mol2", "protac_path": "2189_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3694": {"pro_comp_id": 2189, "tar_path": "AAK1_Q2M2I8.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AAK1_Q2M2I8_67_lig_smina_out.mol2", "protac_path": "2189_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3695": {"pro_comp_id": 2189, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_67_lig_smina_out.mol2", "protac_path": "2189_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3696": {"pro_comp_id": 2190, "tar_path": "CDC7_O00311.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDC7_O00311_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3697": {"pro_comp_id": 2190, "tar_path": "PLK4_O00444.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PLK4_O00444_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3698": {"pro_comp_id": 2190, "tar_path": "BCKDK_O14874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BCKDK_O14874_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3699": {"pro_comp_id": 2190, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AURKA_O14965_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3700": {"pro_comp_id": 2190, "tar_path": "GAK_O14976.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GAK_O14976_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3701": {"pro_comp_id": 2190, "tar_path": "BUB1_O43683.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BUB1_O43683_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3702": {"pro_comp_id": 2190, "tar_path": "MAST3_O60307.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MAST3_O60307_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3703": {"pro_comp_id": 2190, "tar_path": "BUB1B_O60566.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BUB1B_O60566_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3704": {"pro_comp_id": 2190, "tar_path": "ULK1_O75385.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ULK1_O75385_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3705": {"pro_comp_id": 2190, "tar_path": "STK17B_O94768.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STK17B_O94768_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3706": {"pro_comp_id": 2190, "tar_path": "CDK14_O94921.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK14_O94921_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3707": {"pro_comp_id": 2190, "tar_path": "LATS1_O95835.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "LATS1_O95835_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3708": {"pro_comp_id": 2190, "tar_path": "ABL1_P00519.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ABL1_P00519_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3709": {"pro_comp_id": 2190, "tar_path": "LCK_P06239.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "LCK_P06239_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3710": {"pro_comp_id": 2190, "tar_path": "FYN_P06241.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FYN_P06241_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3711": {"pro_comp_id": 2190, "tar_path": "YES1_P07947.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "YES1_P07947_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3712": {"pro_comp_id": 2190, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3713": {"pro_comp_id": 2190, "tar_path": "Src_P12931.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Src_P12931_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3714": {"pro_comp_id": 2190, "tar_path": "FER_P16591.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FER_P16591_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3715": {"pro_comp_id": 2190, "tar_path": "RPS6KB1_P23443.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "RPS6KB1_P23443_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3716": {"pro_comp_id": 2190, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK2_P24941_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3717": {"pro_comp_id": 2190, "tar_path": "EPHB2_P29323.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EPHB2_P29323_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3718": {"pro_comp_id": 2190, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Wee1_P30291_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3719": {"pro_comp_id": 2190, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT2_P31751_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3720": {"pro_comp_id": 2190, "tar_path": "TTK_P33981.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TTK_P33981_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3721": {"pro_comp_id": 2190, "tar_path": "BMPR1A_P36894.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BMPR1A_P36894_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3722": {"pro_comp_id": 2190, "tar_path": "TGFBR1_P36897.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TGFBR1_P36897_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3723": {"pro_comp_id": 2190, "tar_path": "CSK_P41240.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CSK_P41240_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3724": {"pro_comp_id": 2190, "tar_path": "TEC_P42680.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TEC_P42680_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3725": {"pro_comp_id": 2190, "tar_path": "ABL2_P42684.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ABL2_P42684_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3726": {"pro_comp_id": 2190, "tar_path": "CSNK1D_P48730.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CSNK1D_P48730_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3727": {"pro_comp_id": 2190, "tar_path": "CDK7_P50613.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK7_P50613_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3728": {"pro_comp_id": 2190, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK9_P50750_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3729": {"pro_comp_id": 2190, "tar_path": "BLK_P51451.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BLK_P51451_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3730": {"pro_comp_id": 2190, "tar_path": "NEK2_P51955.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "NEK2_P51955_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3731": {"pro_comp_id": 2190, "tar_path": "PLK1_P53350.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PLK1_P53350_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3732": {"pro_comp_id": 2190, "tar_path": "LIMK1_P53667.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "LIMK1_P53667_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3733": {"pro_comp_id": 2190, "tar_path": "LIMK2_P53671.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "LIMK2_P53671_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3734": {"pro_comp_id": 2190, "tar_path": "PRKAA2_P54646.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PRKAA2_P54646_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3735": {"pro_comp_id": 2190, "tar_path": "EPHB4_P54760.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EPHB4_P54760_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3736": {"pro_comp_id": 2190, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3737": {"pro_comp_id": 2190, "tar_path": "CDK5_Q00535.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK5_Q00535_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3738": {"pro_comp_id": 2190, "tar_path": "CDK16_Q00536.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK16_Q00536_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3739": {"pro_comp_id": 2190, "tar_path": "CDK17_Q00537.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK17_Q00537_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3740": {"pro_comp_id": 2190, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3741": {"pro_comp_id": 2190, "tar_path": "CDK18_Q07002.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK18_Q07002_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3742": {"pro_comp_id": 2190, "tar_path": "TNK2_Q07912.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TNK2_Q07912_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3743": {"pro_comp_id": 2190, "tar_path": "ITK_Q08881.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ITK_Q08881_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3744": {"pro_comp_id": 2190, "tar_path": "MAP3K12_Q12852.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MAP3K12_Q12852_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3745": {"pro_comp_id": 2190, "tar_path": "PRKAA1_Q13131.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PRKAA1_Q13131_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3746": {"pro_comp_id": 2190, "tar_path": "ERK5_Q13164.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MAPK7_Q13164_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3747": {"pro_comp_id": 2190, "tar_path": "MAP3K1_Q13233.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MAP3K1_Q13233_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3748": {"pro_comp_id": 2190, "tar_path": "TNK1_Q13470.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TNK1_Q13470_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3749": {"pro_comp_id": 2190, "tar_path": "PTK6_Q13882.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PTK6_Q13882_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3750": {"pro_comp_id": 2190, "tar_path": "CDK13_Q14004.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK13_Q14004_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3751": {"pro_comp_id": 2190, "tar_path": "PTK2B_Q14289.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PTK2B_Q14289_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3752": {"pro_comp_id": 2190, "tar_path": "PDK3_Q15120.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PDK3_Q15120_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3753": {"pro_comp_id": 2190, "tar_path": "CDK10_Q15131.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK10_Q15131_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3754": {"pro_comp_id": 2190, "tar_path": "RPS6KA1_Q15418.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "RPS6KA1_Q15418_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3755": {"pro_comp_id": 2190, "tar_path": "MAP3K11_Q16584.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MAP3K11_Q16584_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3756": {"pro_comp_id": 2190, "tar_path": "MAPK6_Q16659.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MAPK6_Q16659_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3757": {"pro_comp_id": 2190, "tar_path": "AAK1_Q2M2I8.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AAK1_Q2M2I8_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3758": {"pro_comp_id": 2190, "tar_path": "SBK1_Q52WX2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SBK1_Q52WX2_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3759": {"pro_comp_id": 2190, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "LRRK2_Q5S007_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3760": {"pro_comp_id": 2190, "tar_path": "MAP3K21_Q5TCX8.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MAP3K21_Q5TCX8_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3761": {"pro_comp_id": 2190, "tar_path": "ULK3_Q6PHR2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ULK3_Q6PHR2_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3762": {"pro_comp_id": 2190, "tar_path": "MARK2_Q7KZI7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MARK2_Q7KZI7_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3763": {"pro_comp_id": 2190, "tar_path": "STK32C_Q86UX6.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STK32C_Q86UX6_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3764": {"pro_comp_id": 2190, "tar_path": "PRAG1_Q86YV5.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PRAG1_Q86YV5_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3765": {"pro_comp_id": 2190, "tar_path": "HIPK1_Q86Z02.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HIPK1_Q86Z02_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3766": {"pro_comp_id": 2190, "tar_path": "MAP4K3_Q8IVH8.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MAP4K3_Q8IVH8_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3767": {"pro_comp_id": 2190, "tar_path": "STK40_Q8N2I9.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STK40_Q8N2I9_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3768": {"pro_comp_id": 2190, "tar_path": "COQ8A_Q8NI60.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "COQ8A_Q8NI60_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3769": {"pro_comp_id": 2190, "tar_path": "UHMK1_Q8TAS1.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "UHMK1_Q8TAS1_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3770": {"pro_comp_id": 2190, "tar_path": "MAP4K1_Q92918.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MAP4K1_Q92918_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3771": {"pro_comp_id": 2190, "tar_path": "AURKB_Q96GD4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AURKB_Q96GD4_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3772": {"pro_comp_id": 2190, "tar_path": "MARK4_Q96L34.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MARK4_Q96L34_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3773": {"pro_comp_id": 2190, "tar_path": "TRPM7_Q96QT4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TRPM7_Q96QT4_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3774": {"pro_comp_id": 2190, "tar_path": "TRIB3_Q96RU7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TRIB3_Q96RU7_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3775": {"pro_comp_id": 2190, "tar_path": "RPS6KC1_Q96S38.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "RPS6KC1_Q96S38_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3776": {"pro_comp_id": 2190, "tar_path": "RIOK2_Q9BVS4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "RIOK2_Q9BVS4_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3777": {"pro_comp_id": 2190, "tar_path": "STK33_Q9BYT3.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STK33_Q9BYT3_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3778": {"pro_comp_id": 2190, "tar_path": "SIK2_Q9H0K1.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SIK2_Q9H0K1_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3779": {"pro_comp_id": 2190, "tar_path": "MKNK2_Q9HBH9.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MKNK2_Q9HBH9_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3780": {"pro_comp_id": 2190, "tar_path": "BMP2K_Q9NSY1.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BMP2K_Q9NSY1_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3781": {"pro_comp_id": 2190, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3782": {"pro_comp_id": 2190, "tar_path": "STK17A_Q9UEE5.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STK17A_Q9UEE5_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3783": {"pro_comp_id": 2190, "tar_path": "RPS6KA6_Q9UK32.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "RPS6KA6_Q9UK32_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3784": {"pro_comp_id": 2190, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_67_lig_smina_out.mol2", "protac_path": "2190_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3785": {"pro_comp_id": 2191, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AURKA_O14965_67_lig_smina_out.mol2", "protac_path": "2191_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3786": {"pro_comp_id": 2191, "tar_path": "GAK_O14976.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GAK_O14976_67_lig_smina_out.mol2", "protac_path": "2191_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3787": {"pro_comp_id": 2191, "tar_path": "LCK_P06239.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "LCK_P06239_67_lig_smina_out.mol2", "protac_path": "2191_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3788": {"pro_comp_id": 2191, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK4_P11802_67_lig_smina_out.mol2", "protac_path": "2191_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3789": {"pro_comp_id": 2191, "tar_path": "Src_P12931.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "Src_P12931_67_lig_smina_out.mol2", "protac_path": "2191_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3790": {"pro_comp_id": 2191, "tar_path": "FER_P16591.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FER_P16591_67_lig_smina_out.mol2", "protac_path": "2191_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3791": {"pro_comp_id": 2191, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK2_P24941_67_lig_smina_out.mol2", "protac_path": "2191_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3792": {"pro_comp_id": 2191, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "Wee1_P30291_67_lig_smina_out.mol2", "protac_path": "2191_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3793": {"pro_comp_id": 2191, "tar_path": "ABL2_P42684.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ABL2_P42684_67_lig_smina_out.mol2", "protac_path": "2191_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3794": {"pro_comp_id": 2191, "tar_path": "CDK7_P50613.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK7_P50613_67_lig_smina_out.mol2", "protac_path": "2191_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3795": {"pro_comp_id": 2191, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_67_lig_smina_out.mol2", "protac_path": "2191_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3796": {"pro_comp_id": 2191, "tar_path": "BLK_P51451.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BLK_P51451_67_lig_smina_out.mol2", "protac_path": "2191_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3797": {"pro_comp_id": 2191, "tar_path": "LIMK2_P53671.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "LIMK2_P53671_67_lig_smina_out.mol2", "protac_path": "2191_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3798": {"pro_comp_id": 2191, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK6_Q00534_67_lig_smina_out.mol2", "protac_path": "2191_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3799": {"pro_comp_id": 2191, "tar_path": "CDK5_Q00535.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK5_Q00535_67_lig_smina_out.mol2", "protac_path": "2191_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3800": {"pro_comp_id": 2191, "tar_path": "CDK17_Q00537.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK17_Q00537_67_lig_smina_out.mol2", "protac_path": "2191_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3801": {"pro_comp_id": 2191, "tar_path": "ITK_Q08881.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ITK_Q08881_67_lig_smina_out.mol2", "protac_path": "2191_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3802": {"pro_comp_id": 2191, "tar_path": "PRKAA1_Q13131.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PRKAA1_Q13131_67_lig_smina_out.mol2", "protac_path": "2191_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3803": {"pro_comp_id": 2191, "tar_path": "CDK13_Q14004.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK13_Q14004_67_lig_smina_out.mol2", "protac_path": "2191_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3804": {"pro_comp_id": 2191, "tar_path": "PTK2B_Q14289.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PTK2B_Q14289_67_lig_smina_out.mol2", "protac_path": "2191_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3805": {"pro_comp_id": 2191, "tar_path": "RPS6KA1_Q15418.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "RPS6KA1_Q15418_67_lig_smina_out.mol2", "protac_path": "2191_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3806": {"pro_comp_id": 2191, "tar_path": "AAK1_Q2M2I8.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AAK1_Q2M2I8_67_lig_smina_out.mol2", "protac_path": "2191_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3807": {"pro_comp_id": 2191, "tar_path": "BMP2K_Q9NSY1.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BMP2K_Q9NSY1_67_lig_smina_out.mol2", "protac_path": "2191_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3808": {"pro_comp_id": 2191, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_67_lig_smina_out.mol2", "protac_path": "2191_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCNC(=O)CNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)=NC=C1Cl", "label": -1}, "3809": {"pro_comp_id": 2192, "tar_path": "EEF2K_O00418.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EEF2K_O00418_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3810": {"pro_comp_id": 2192, "tar_path": "PLK4_O00444.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PLK4_O00444_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3811": {"pro_comp_id": 2192, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AURKA_O14965_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3812": {"pro_comp_id": 2192, "tar_path": "GAK_O14976.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GAK_O14976_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3813": {"pro_comp_id": 2192, "tar_path": "BUB1_O43683.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BUB1_O43683_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3814": {"pro_comp_id": 2192, "tar_path": "BUB1B_O60566.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BUB1B_O60566_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3815": {"pro_comp_id": 2192, "tar_path": "ULK1_O75385.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ULK1_O75385_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3816": {"pro_comp_id": 2192, "tar_path": "STK10_O94804.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STK10_O94804_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3817": {"pro_comp_id": 2192, "tar_path": "LCK_P06239.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "LCK_P06239_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3818": {"pro_comp_id": 2192, "tar_path": "YES1_P07947.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "YES1_P07947_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3819": {"pro_comp_id": 2192, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3820": {"pro_comp_id": 2192, "tar_path": "Src_P12931.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Src_P12931_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3821": {"pro_comp_id": 2192, "tar_path": "FER_P16591.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FER_P16591_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3822": {"pro_comp_id": 2192, "tar_path": "FLT1_P17948.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FLT1_P17948_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3823": {"pro_comp_id": 2192, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK2_P24941_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3824": {"pro_comp_id": 2192, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Wee1_P30291_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3825": {"pro_comp_id": 2192, "tar_path": "BMPR1A_P36894.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BMPR1A_P36894_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3826": {"pro_comp_id": 2192, "tar_path": "TEC_P42680.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TEC_P42680_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3827": {"pro_comp_id": 2192, "tar_path": "ABL2_P42684.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ABL2_P42684_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3828": {"pro_comp_id": 2192, "tar_path": "CSNK1D_P48730.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CSNK1D_P48730_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3829": {"pro_comp_id": 2192, "tar_path": "CSNK1E_P49674.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CSNK1E_P49674_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3830": {"pro_comp_id": 2192, "tar_path": "CDK7_P50613.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK7_P50613_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3831": {"pro_comp_id": 2192, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK9_P50750_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3832": {"pro_comp_id": 2192, "tar_path": "BLK_P51451.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BLK_P51451_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3833": {"pro_comp_id": 2192, "tar_path": "NEK2_P51955.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "NEK2_P51955_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3834": {"pro_comp_id": 2192, "tar_path": "LIMK1_P53667.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "LIMK1_P53667_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3835": {"pro_comp_id": 2192, "tar_path": "LIMK2_P53671.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "LIMK2_P53671_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3836": {"pro_comp_id": 2192, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3837": {"pro_comp_id": 2192, "tar_path": "CDK5_Q00535.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK5_Q00535_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3838": {"pro_comp_id": 2192, "tar_path": "CDK17_Q00537.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK17_Q00537_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3839": {"pro_comp_id": 2192, "tar_path": "TNK2_Q07912.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TNK2_Q07912_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3840": {"pro_comp_id": 2192, "tar_path": "ITK_Q08881.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ITK_Q08881_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3841": {"pro_comp_id": 2192, "tar_path": "PRKAA1_Q13131.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PRKAA1_Q13131_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3842": {"pro_comp_id": 2192, "tar_path": "ERK5_Q13164.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MAPK7_Q13164_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3843": {"pro_comp_id": 2192, "tar_path": "CDK13_Q14004.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK13_Q14004_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3844": {"pro_comp_id": 2192, "tar_path": "PTK2B_Q14289.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PTK2B_Q14289_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3845": {"pro_comp_id": 2192, "tar_path": "PDK2_Q15119.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PDK2_Q15119_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3846": {"pro_comp_id": 2192, "tar_path": "CDK10_Q15131.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK10_Q15131_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3847": {"pro_comp_id": 2192, "tar_path": "RPS6KA1_Q15418.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "RPS6KA1_Q15418_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3848": {"pro_comp_id": 2192, "tar_path": "MAP3K11_Q16584.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MAP3K11_Q16584_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3849": {"pro_comp_id": 2192, "tar_path": "MAPK6_Q16659.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MAPK6_Q16659_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3850": {"pro_comp_id": 2192, "tar_path": "AAK1_Q2M2I8.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AAK1_Q2M2I8_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3851": {"pro_comp_id": 2192, "tar_path": "MAP3K21_Q5TCX8.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MAP3K21_Q5TCX8_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3852": {"pro_comp_id": 2192, "tar_path": "ULK3_Q6PHR2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ULK3_Q6PHR2_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3853": {"pro_comp_id": 2192, "tar_path": "MARK2_Q7KZI7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MARK2_Q7KZI7_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3854": {"pro_comp_id": 2192, "tar_path": "PRAG1_Q86YV5.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PRAG1_Q86YV5_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3855": {"pro_comp_id": 2192, "tar_path": "MAP4K3_Q8IVH8.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MAP4K3_Q8IVH8_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3856": {"pro_comp_id": 2192, "tar_path": "COQ8A_Q8NI60.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "COQ8A_Q8NI60_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3857": {"pro_comp_id": 2192, "tar_path": "STK35_Q8TDR2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STK35_Q8TDR2_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3858": {"pro_comp_id": 2192, "tar_path": "HASPIN_Q8TF76.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HASPIN_Q8TF76_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3859": {"pro_comp_id": 2192, "tar_path": "MAP4K1_Q92918.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MAP4K1_Q92918_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3860": {"pro_comp_id": 2192, "tar_path": "COQ8B_Q96D53.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "COQ8B_Q96D53_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3861": {"pro_comp_id": 2192, "tar_path": "AURKB_Q96GD4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AURKB_Q96GD4_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3862": {"pro_comp_id": 2192, "tar_path": "MARK4_Q96L34.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MARK4_Q96L34_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3863": {"pro_comp_id": 2192, "tar_path": "RIOK2_Q9BVS4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "RIOK2_Q9BVS4_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3864": {"pro_comp_id": 2192, "tar_path": "SIK2_Q9H0K1.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SIK2_Q9H0K1_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3865": {"pro_comp_id": 2192, "tar_path": "IRAK4_Q9NWZ3.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IRAK4_Q9NWZ3_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3866": {"pro_comp_id": 2192, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3867": {"pro_comp_id": 2192, "tar_path": "NLK_Q9UBE8.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "NLK_Q9UBE8_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3868": {"pro_comp_id": 2192, "tar_path": "STK17A_Q9UEE5.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STK17A_Q9UEE5_67_lig_smina_out.mol2", "protac_path": "2192_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1Cl", "label": -1}, "3869": {"pro_comp_id": 2193, "tar_path": "MAST3_O60307.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MAST3_O60307_196_lig_smina_out.mol2", "protac_path": "2193_protac.mol2", "smiles": "CC1=CC=C(C(=O)NC2=CC=C(CN3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C(C(F)(F)F)=C2)C=C1C#CC1=CN=C2C=CC=NN12", "label": -1}, "3870": {"pro_comp_id": 2193, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_196_lig_smina_out.mol2", "protac_path": "2193_protac.mol2", "smiles": "CC1=CC=C(C(=O)NC2=CC=C(CN3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C(C(F)(F)F)=C2)C=C1C#CC1=CN=C2C=CC=NN12", "label": -1}, "3871": {"pro_comp_id": 2193, "tar_path": "LIMK1_P53667.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "LIMK1_P53667_196_lig_smina_out.mol2", "protac_path": "2193_protac.mol2", "smiles": "CC1=CC=C(C(=O)NC2=CC=C(CN3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C(C(F)(F)F)=C2)C=C1C#CC1=CN=C2C=CC=NN12", "label": -1}, "3872": {"pro_comp_id": 2193, "tar_path": "p38alpha_Q16539.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "p38alpha_Q16539_196_lig_smina_out.mol2", "protac_path": "2193_protac.mol2", "smiles": "CC1=CC=C(C(=O)NC2=CC=C(CN3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C(C(F)(F)F)=C2)C=C1C#CC1=CN=C2C=CC=NN12", "label": -1}, "3873": {"pro_comp_id": 2193, "tar_path": "MAP3K20_Q9NYL2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MAP3K20_Q9NYL2_196_lig_smina_out.mol2", "protac_path": "2193_protac.mol2", "smiles": "CC1=CC=C(C(=O)NC2=CC=C(CN3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C(C(F)(F)F)=C2)C=C1C#CC1=CN=C2C=CC=NN12", "label": -1}, "3874": {"pro_comp_id": 2194, "tar_path": "PLK4_O00444.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PLK4_O00444_216_lig_smina_out.mol2", "protac_path": "2194_protac.mol2", "smiles": "CC(C)(C)C1=NN(C2=CC=C3N=CC=CC3=C2)C(NC(=O)NC2=CC=C(OC3=CC=NC(C(=O)NCCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)C=C2F)=C1", "label": -1}, "3875": {"pro_comp_id": 2194, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AURKA_O14965_216_lig_smina_out.mol2", "protac_path": "2194_protac.mol2", "smiles": "CC(C)(C)C1=NN(C2=CC=C3N=CC=CC3=C2)C(NC(=O)NC2=CC=C(OC3=CC=NC(C(=O)NCCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)C=C2F)=C1", "label": -1}, "3876": {"pro_comp_id": 2194, "tar_path": "BUB1B_O60566.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BUB1B_O60566_216_lig_smina_out.mol2", "protac_path": "2194_protac.mol2", "smiles": "CC(C)(C)C1=NN(C2=CC=C3N=CC=CC3=C2)C(NC(=O)NC2=CC=C(OC3=CC=NC(C(=O)NCCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)C=C2F)=C1", "label": -1}, "3877": {"pro_comp_id": 2194, "tar_path": "ULK1_O75385.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ULK1_O75385_216_lig_smina_out.mol2", "protac_path": "2194_protac.mol2", "smiles": "CC(C)(C)C1=NN(C2=CC=C3N=CC=CC3=C2)C(NC(=O)NC2=CC=C(OC3=CC=NC(C(=O)NCCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)C=C2F)=C1", "label": -1}, "3878": {"pro_comp_id": 2194, "tar_path": "STK10_O94804.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STK10_O94804_216_lig_smina_out.mol2", "protac_path": "2194_protac.mol2", "smiles": "CC(C)(C)C1=NN(C2=CC=C3N=CC=CC3=C2)C(NC(=O)NC2=CC=C(OC3=CC=NC(C(=O)NCCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)C=C2F)=C1", "label": -1}, "3879": {"pro_comp_id": 2194, "tar_path": "LCK_P06239.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "LCK_P06239_216_lig_smina_out.mol2", "protac_path": "2194_protac.mol2", "smiles": "CC(C)(C)C1=NN(C2=CC=C3N=CC=CC3=C2)C(NC(=O)NC2=CC=C(OC3=CC=NC(C(=O)NCCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)C=C2F)=C1", "label": -1}, "3880": {"pro_comp_id": 2194, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_216_lig_smina_out.mol2", "protac_path": "2194_protac.mol2", "smiles": "CC(C)(C)C1=NN(C2=CC=C3N=CC=CC3=C2)C(NC(=O)NC2=CC=C(OC3=CC=NC(C(=O)NCCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)C=C2F)=C1", "label": -1}, "3881": {"pro_comp_id": 2194, "tar_path": "Src_P12931.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Src_P12931_216_lig_smina_out.mol2", "protac_path": "2194_protac.mol2", "smiles": "CC(C)(C)C1=NN(C2=CC=C3N=CC=CC3=C2)C(NC(=O)NC2=CC=C(OC3=CC=NC(C(=O)NCCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)C=C2F)=C1", "label": -1}, "3882": {"pro_comp_id": 2194, "tar_path": "FER_P16591.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FER_P16591_216_lig_smina_out.mol2", "protac_path": "2194_protac.mol2", "smiles": "CC(C)(C)C1=NN(C2=CC=C3N=CC=CC3=C2)C(NC(=O)NC2=CC=C(OC3=CC=NC(C(=O)NCCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)C=C2F)=C1", "label": -1}, "3883": {"pro_comp_id": 2194, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK2_P24941_216_lig_smina_out.mol2", "protac_path": "2194_protac.mol2", "smiles": "CC(C)(C)C1=NN(C2=CC=C3N=CC=CC3=C2)C(NC(=O)NC2=CC=C(OC3=CC=NC(C(=O)NCCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)C=C2F)=C1", "label": -1}, "3884": {"pro_comp_id": 2194, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Wee1_P30291_216_lig_smina_out.mol2", "protac_path": "2194_protac.mol2", "smiles": "CC(C)(C)C1=NN(C2=CC=C3N=CC=CC3=C2)C(NC(=O)NC2=CC=C(OC3=CC=NC(C(=O)NCCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)C=C2F)=C1", "label": -1}, "3885": {"pro_comp_id": 2194, "tar_path": "TEC_P42680.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TEC_P42680_216_lig_smina_out.mol2", "protac_path": "2194_protac.mol2", "smiles": "CC(C)(C)C1=NN(C2=CC=C3N=CC=CC3=C2)C(NC(=O)NC2=CC=C(OC3=CC=NC(C(=O)NCCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)C=C2F)=C1", "label": -1}, "3886": {"pro_comp_id": 2194, "tar_path": "ABL2_P42684.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ABL2_P42684_216_lig_smina_out.mol2", "protac_path": "2194_protac.mol2", "smiles": "CC(C)(C)C1=NN(C2=CC=C3N=CC=CC3=C2)C(NC(=O)NC2=CC=C(OC3=CC=NC(C(=O)NCCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)C=C2F)=C1", "label": -1}, "3887": {"pro_comp_id": 2194, "tar_path": "CDK7_P50613.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK7_P50613_216_lig_smina_out.mol2", "protac_path": "2194_protac.mol2", "smiles": "CC(C)(C)C1=NN(C2=CC=C3N=CC=CC3=C2)C(NC(=O)NC2=CC=C(OC3=CC=NC(C(=O)NCCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)C=C2F)=C1", "label": -1}, "3888": {"pro_comp_id": 2194, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK9_P50750_216_lig_smina_out.mol2", "protac_path": "2194_protac.mol2", "smiles": "CC(C)(C)C1=NN(C2=CC=C3N=CC=CC3=C2)C(NC(=O)NC2=CC=C(OC3=CC=NC(C(=O)NCCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)C=C2F)=C1", "label": -1}, "3889": {"pro_comp_id": 2194, "tar_path": "BLK_P51451.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BLK_P51451_216_lig_smina_out.mol2", "protac_path": "2194_protac.mol2", "smiles": "CC(C)(C)C1=NN(C2=CC=C3N=CC=CC3=C2)C(NC(=O)NC2=CC=C(OC3=CC=NC(C(=O)NCCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)C=C2F)=C1", "label": -1}, "3890": {"pro_comp_id": 2194, "tar_path": "LIMK1_P53667.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "LIMK1_P53667_216_lig_smina_out.mol2", "protac_path": "2194_protac.mol2", "smiles": "CC(C)(C)C1=NN(C2=CC=C3N=CC=CC3=C2)C(NC(=O)NC2=CC=C(OC3=CC=NC(C(=O)NCCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)C=C2F)=C1", "label": -1}, "3891": {"pro_comp_id": 2194, "tar_path": "LIMK2_P53671.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "LIMK2_P53671_216_lig_smina_out.mol2", "protac_path": "2194_protac.mol2", "smiles": "CC(C)(C)C1=NN(C2=CC=C3N=CC=CC3=C2)C(NC(=O)NC2=CC=C(OC3=CC=NC(C(=O)NCCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)C=C2F)=C1", "label": -1}, "3892": {"pro_comp_id": 2194, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_216_lig_smina_out.mol2", "protac_path": "2194_protac.mol2", "smiles": "CC(C)(C)C1=NN(C2=CC=C3N=CC=CC3=C2)C(NC(=O)NC2=CC=C(OC3=CC=NC(C(=O)NCCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)C=C2F)=C1", "label": -1}, "3893": {"pro_comp_id": 2194, "tar_path": "CDK5_Q00535.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK5_Q00535_216_lig_smina_out.mol2", "protac_path": "2194_protac.mol2", "smiles": "CC(C)(C)C1=NN(C2=CC=C3N=CC=CC3=C2)C(NC(=O)NC2=CC=C(OC3=CC=NC(C(=O)NCCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)C=C2F)=C1", "label": -1}, "3894": {"pro_comp_id": 2194, "tar_path": "CDK17_Q00537.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK17_Q00537_216_lig_smina_out.mol2", "protac_path": "2194_protac.mol2", "smiles": "CC(C)(C)C1=NN(C2=CC=C3N=CC=CC3=C2)C(NC(=O)NC2=CC=C(OC3=CC=NC(C(=O)NCCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)C=C2F)=C1", "label": -1}, "3895": {"pro_comp_id": 2194, "tar_path": "TNK2_Q07912.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TNK2_Q07912_216_lig_smina_out.mol2", "protac_path": "2194_protac.mol2", "smiles": "CC(C)(C)C1=NN(C2=CC=C3N=CC=CC3=C2)C(NC(=O)NC2=CC=C(OC3=CC=NC(C(=O)NCCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)C=C2F)=C1", "label": -1}, "3896": {"pro_comp_id": 2194, "tar_path": "ITK_Q08881.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ITK_Q08881_216_lig_smina_out.mol2", "protac_path": "2194_protac.mol2", "smiles": "CC(C)(C)C1=NN(C2=CC=C3N=CC=CC3=C2)C(NC(=O)NC2=CC=C(OC3=CC=NC(C(=O)NCCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)C=C2F)=C1", "label": -1}, "3897": {"pro_comp_id": 2194, "tar_path": "PRKAA1_Q13131.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PRKAA1_Q13131_216_lig_smina_out.mol2", "protac_path": "2194_protac.mol2", "smiles": "CC(C)(C)C1=NN(C2=CC=C3N=CC=CC3=C2)C(NC(=O)NC2=CC=C(OC3=CC=NC(C(=O)NCCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)C=C2F)=C1", "label": -1}, "3898": {"pro_comp_id": 2194, "tar_path": "CDK13_Q14004.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK13_Q14004_216_lig_smina_out.mol2", "protac_path": "2194_protac.mol2", "smiles": "CC(C)(C)C1=NN(C2=CC=C3N=CC=CC3=C2)C(NC(=O)NC2=CC=C(OC3=CC=NC(C(=O)NCCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)C=C2F)=C1", "label": -1}, "3899": {"pro_comp_id": 2194, "tar_path": "STK38_Q15208.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STK38_Q15208_216_lig_smina_out.mol2", "protac_path": "2194_protac.mol2", "smiles": "CC(C)(C)C1=NN(C2=CC=C3N=CC=CC3=C2)C(NC(=O)NC2=CC=C(OC3=CC=NC(C(=O)NCCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)C=C2F)=C1", "label": -1}, "3900": {"pro_comp_id": 2194, "tar_path": "RPS6KA1_Q15418.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "RPS6KA1_Q15418_216_lig_smina_out.mol2", "protac_path": "2194_protac.mol2", "smiles": "CC(C)(C)C1=NN(C2=CC=C3N=CC=CC3=C2)C(NC(=O)NC2=CC=C(OC3=CC=NC(C(=O)NCCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)C=C2F)=C1", "label": -1}, "3901": {"pro_comp_id": 2194, "tar_path": "MAP3K11_Q16584.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MAP3K11_Q16584_216_lig_smina_out.mol2", "protac_path": "2194_protac.mol2", "smiles": "CC(C)(C)C1=NN(C2=CC=C3N=CC=CC3=C2)C(NC(=O)NC2=CC=C(OC3=CC=NC(C(=O)NCCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)C=C2F)=C1", "label": -1}, "3902": {"pro_comp_id": 2194, "tar_path": "AAK1_Q2M2I8.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AAK1_Q2M2I8_216_lig_smina_out.mol2", "protac_path": "2194_protac.mol2", "smiles": "CC(C)(C)C1=NN(C2=CC=C3N=CC=CC3=C2)C(NC(=O)NC2=CC=C(OC3=CC=NC(C(=O)NCCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)C=C2F)=C1", "label": -1}, "3903": {"pro_comp_id": 2194, "tar_path": "ULK3_Q6PHR2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ULK3_Q6PHR2_216_lig_smina_out.mol2", "protac_path": "2194_protac.mol2", "smiles": "CC(C)(C)C1=NN(C2=CC=C3N=CC=CC3=C2)C(NC(=O)NC2=CC=C(OC3=CC=NC(C(=O)NCCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)C=C2F)=C1", "label": -1}, "3904": {"pro_comp_id": 2194, "tar_path": "AURKB_Q96GD4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AURKB_Q96GD4_216_lig_smina_out.mol2", "protac_path": "2194_protac.mol2", "smiles": "CC(C)(C)C1=NN(C2=CC=C3N=CC=CC3=C2)C(NC(=O)NC2=CC=C(OC3=CC=NC(C(=O)NCCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)C=C2F)=C1", "label": -1}, "3905": {"pro_comp_id": 2194, "tar_path": "MARK4_Q96L34.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MARK4_Q96L34_216_lig_smina_out.mol2", "protac_path": "2194_protac.mol2", "smiles": "CC(C)(C)C1=NN(C2=CC=C3N=CC=CC3=C2)C(NC(=O)NC2=CC=C(OC3=CC=NC(C(=O)NCCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)C=C2F)=C1", "label": -1}, "3906": {"pro_comp_id": 2195, "tar_path": "PIP4K2A_P48426.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PIP4K2A_P48426_254_lig_smina_out.mol2", "protac_path": "2195_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCC(=O)NC1=CC=C(C(=O)NC2=CC=CC(NC3=CC(C4=C[NH]C5=CC=CC=C45)=NC=N3)=C2)C=C1", "label": 0}, "3907": {"pro_comp_id": 2195, "tar_path": "PIP4K2B_P78356.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PIP4K2B_P78356_254_lig_smina_out.mol2", "protac_path": "2195_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCC(=O)NC1=CC=C(C(=O)NC2=CC=CC(NC3=CC(C4=C[NH]C5=CC=CC=C45)=NC=N3)=C2)C=C1", "label": 0}, "3908": {"pro_comp_id": 2195, "tar_path": "PIP4K2C_Q8TBX8.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PIP4K2C_Q8TBX8_254_lig_smina_out.mol2", "protac_path": "2195_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCC(=O)NC1=CC=C(C(=O)NC2=CC=CC(NC3=CC(C4=C[NH]C5=CC=CC=C45)=NC=N3)=C2)C=C1", "label": 0}, "3909": {"pro_comp_id": 2196, "tar_path": "STK17B_O94768.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STK17B_O94768_267_lig_smina_out.mol2", "protac_path": "2196_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N(CCCNC(=O)CCOCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C3CC3)C=C2)C=C1C1=CC=C2C(=O)NCCC2=C1", "label": -1}, "3910": {"pro_comp_id": 2196, "tar_path": "STK10_O94804.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STK10_O94804_267_lig_smina_out.mol2", "protac_path": "2196_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N(CCCNC(=O)CCOCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C3CC3)C=C2)C=C1C1=CC=C2C(=O)NCCC2=C1", "label": -1}, "3911": {"pro_comp_id": 2196, "tar_path": "PAK4_O96013.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PAK4_O96013_267_lig_smina_out.mol2", "protac_path": "2196_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N(CCCNC(=O)CCOCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C3CC3)C=C2)C=C1C1=CC=C2C(=O)NCCC2=C1", "label": -1}, "3912": {"pro_comp_id": 2196, "tar_path": "CSNK1A1_P48729.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CSNK1A1_P48729_267_lig_smina_out.mol2", "protac_path": "2196_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N(CCCNC(=O)CCOCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C3CC3)C=C2)C=C1C1=CC=C2C(=O)NCCC2=C1", "label": -1}, "3913": {"pro_comp_id": 2196, "tar_path": "CSNK1D_P48730.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CSNK1D_P48730_267_lig_smina_out.mol2", "protac_path": "2196_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N(CCCNC(=O)CCOCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C3CC3)C=C2)C=C1C1=CC=C2C(=O)NCCC2=C1", "label": -1}, "3914": {"pro_comp_id": 2196, "tar_path": "CSNK1E_P49674.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CSNK1E_P49674_267_lig_smina_out.mol2", "protac_path": "2196_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N(CCCNC(=O)CCOCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C3CC3)C=C2)C=C1C1=CC=C2C(=O)NCCC2=C1", "label": -1}, "3915": {"pro_comp_id": 2196, "tar_path": "GSK3A_P49840.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK3A_P49840_267_lig_smina_out.mol2", "protac_path": "2196_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N(CCCNC(=O)CCOCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C3CC3)C=C2)C=C1C1=CC=C2C(=O)NCCC2=C1", "label": -1}, "3916": {"pro_comp_id": 2196, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_267_lig_smina_out.mol2", "protac_path": "2196_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N(CCCNC(=O)CCOCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C3CC3)C=C2)C=C1C1=CC=C2C(=O)NCCC2=C1", "label": -1}, "3917": {"pro_comp_id": 2196, "tar_path": "LIMK2_P53671.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "LIMK2_P53671_267_lig_smina_out.mol2", "protac_path": "2196_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N(CCCNC(=O)CCOCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C3CC3)C=C2)C=C1C1=CC=C2C(=O)NCCC2=C1", "label": -1}, "3918": {"pro_comp_id": 2196, "tar_path": "STK4_Q13043.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STK4_Q13043_267_lig_smina_out.mol2", "protac_path": "2196_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N(CCCNC(=O)CCOCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C3CC3)C=C2)C=C1C1=CC=C2C(=O)NCCC2=C1", "label": -1}, "3919": {"pro_comp_id": 2196, "tar_path": "MAP3K1_Q13233.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MAP3K1_Q13233_267_lig_smina_out.mol2", "protac_path": "2196_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N(CCCNC(=O)CCOCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C3CC3)C=C2)C=C1C1=CC=C2C(=O)NCCC2=C1", "label": -1}, "3920": {"pro_comp_id": 2196, "tar_path": "MINK1_Q8N4C8.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MINK1_Q8N4C8_267_lig_smina_out.mol2", "protac_path": "2196_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N(CCCNC(=O)CCOCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C3CC3)C=C2)C=C1C1=CC=C2C(=O)NCCC2=C1", "label": -1}, "3921": {"pro_comp_id": 2196, "tar_path": "STK35_Q8TDR2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STK35_Q8TDR2_267_lig_smina_out.mol2", "protac_path": "2196_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N(CCCNC(=O)CCOCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C3CC3)C=C2)C=C1C1=CC=C2C(=O)NCCC2=C1", "label": -1}, "3922": {"pro_comp_id": 2197, "tar_path": "NUAK1_O60285.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "NUAK1_O60285_267_lig_smina_out.mol2", "protac_path": "2197_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N(CCCNC(=O)CCOCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C3CC3)C=C2F)C=C1C1=CC=C2C(=O)NCCC2=C1", "label": -1}, "3923": {"pro_comp_id": 2197, "tar_path": "STK17B_O94768.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STK17B_O94768_267_lig_smina_out.mol2", "protac_path": "2197_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N(CCCNC(=O)CCOCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C3CC3)C=C2F)C=C1C1=CC=C2C(=O)NCCC2=C1", "label": -1}, "3924": {"pro_comp_id": 2197, "tar_path": "CDK14_O94921.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK14_O94921_267_lig_smina_out.mol2", "protac_path": "2197_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N(CCCNC(=O)CCOCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C3CC3)C=C2F)C=C1C1=CC=C2C(=O)NCCC2=C1", "label": -1}, "3925": {"pro_comp_id": 2197, "tar_path": "CSNK1D_P48730.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CSNK1D_P48730_267_lig_smina_out.mol2", "protac_path": "2197_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N(CCCNC(=O)CCOCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C3CC3)C=C2F)C=C1C1=CC=C2C(=O)NCCC2=C1", "label": -1}, "3926": {"pro_comp_id": 2197, "tar_path": "GSK3A_P49840.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK3A_P49840_267_lig_smina_out.mol2", "protac_path": "2197_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N(CCCNC(=O)CCOCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C3CC3)C=C2F)C=C1C1=CC=C2C(=O)NCCC2=C1", "label": -1}, "3927": {"pro_comp_id": 2197, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_267_lig_smina_out.mol2", "protac_path": "2197_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N(CCCNC(=O)CCOCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C3CC3)C=C2F)C=C1C1=CC=C2C(=O)NCCC2=C1", "label": -1}, "3928": {"pro_comp_id": 2197, "tar_path": "STK4_Q13043.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STK4_Q13043_267_lig_smina_out.mol2", "protac_path": "2197_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N(CCCNC(=O)CCOCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C3CC3)C=C2F)C=C1C1=CC=C2C(=O)NCCC2=C1", "label": -1}, "3929": {"pro_comp_id": 2197, "tar_path": "PIM2_Q9P1W9.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PIM2_Q9P1W9_267_lig_smina_out.mol2", "protac_path": "2197_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N(CCCNC(=O)CCOCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C3CC3)C=C2F)C=C1C1=CC=C2C(=O)NCCC2=C1", "label": -1}, "3930": {"pro_comp_id": 2198, "tar_path": "BLK_P51451.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BLK_P51451_208_lig_smina_out.mol2", "protac_path": "2198_protac.mol2", "smiles": "CN1C2=CC=CC=C2C(=O)NC2=CN=C(NC3=CC=C(N4CCN(C(=O)CCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C21", "label": -1}, "3931": {"pro_comp_id": 2198, "tar_path": "LIMK1_P53667.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "LIMK1_P53667_208_lig_smina_out.mol2", "protac_path": "2198_protac.mol2", "smiles": "CN1C2=CC=CC=C2C(=O)NC2=CN=C(NC3=CC=C(N4CCN(C(=O)CCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C21", "label": -1}, "3932": {"pro_comp_id": 2198, "tar_path": "LIMK2_P53671.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "LIMK2_P53671_208_lig_smina_out.mol2", "protac_path": "2198_protac.mol2", "smiles": "CN1C2=CC=CC=C2C(=O)NC2=CN=C(NC3=CC=C(N4CCN(C(=O)CCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C21", "label": -1}, "3933": {"pro_comp_id": 2198, "tar_path": "TNK2_Q07912.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TNK2_Q07912_208_lig_smina_out.mol2", "protac_path": "2198_protac.mol2", "smiles": "CN1C2=CC=CC=C2C(=O)NC2=CN=C(NC3=CC=C(N4CCN(C(=O)CCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C21", "label": -1}, "3934": {"pro_comp_id": 2198, "tar_path": "STK17A_Q9UEE5.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STK17A_Q9UEE5_208_lig_smina_out.mol2", "protac_path": "2198_protac.mol2", "smiles": "CN1C2=CC=CC=C2C(=O)NC2=CN=C(NC3=CC=C(N4CCN(C(=O)CCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C21", "label": -1}, "3935": {"pro_comp_id": 2199, "tar_path": "CLK1_P49759.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CLK1_P49759_95_lig_smina_out.mol2", "protac_path": "2199_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@H]3C[C@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCN3CCC(C(=O)NC4=NC=C(SCC5=NC=C(C(C)(C)C)O5)S4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3936": {"pro_comp_id": 2199, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CDK9_P50750_95_lig_smina_out.mol2", "protac_path": "2199_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@H]3C[C@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCN3CCC(C(=O)NC4=NC=C(SCC5=NC=C(C(C)(C)C)O5)S4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "3937": {"pro_comp_id": 2200, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_270_lig_smina_out.mol2", "protac_path": "2200_protac.mol2", "smiles": "CCC1=CC2=C(C=C1N1CCC(N3CCN(C(=O)CCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1", "label": -1}, "3938": {"pro_comp_id": 2201, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_270_lig_smina_out.mol2", "protac_path": "2201_protac.mol2", "smiles": "CCC1=CC2=C(C=C1N1CCC(N3CCN(C(=O)CCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1", "label": -1}, "3939": {"pro_comp_id": 2202, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_270_lig_smina_out.mol2", "protac_path": "2202_protac.mol2", "smiles": "CCC1=CC2=C(C=C1N1CCC(N3CCN(C(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1", "label": 0}, "3940": {"pro_comp_id": 2202, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_270_lig_smina_out.mol2", "protac_path": "2202_protac.mol2", "smiles": "CCC1=CC2=C(C=C1N1CCC(N3CCN(C(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1", "label": -1}, "3941": {"pro_comp_id": 2203, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_270_lig_smina_out.mol2", "protac_path": "2203_protac.mol2", "smiles": "CCC1=CC2=C(C=C1N1CCC(N3CCN(C(=O)CCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1", "label": -1}, "3942": {"pro_comp_id": 2204, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_270_lig_smina_out.mol2", "protac_path": "2204_protac.mol2", "smiles": "CCC1=CC2=C(C=C1N1CCC(N3CCN(C(=O)CCCCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1", "label": -1}, "3943": {"pro_comp_id": 2205, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_270_lig_smina_out.mol2", "protac_path": "2205_protac.mol2", "smiles": "CCC1=CC2=C(C=C1N1CCN(C(=O)CCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1", "label": -1}, "3944": {"pro_comp_id": 2206, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_270_lig_smina_out.mol2", "protac_path": "2206_protac.mol2", "smiles": "CCC1=CC2=C(C=C1N1CCN(C(=O)CCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1", "label": -1}, "3945": {"pro_comp_id": 2207, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_270_lig_smina_out.mol2", "protac_path": "2207_protac.mol2", "smiles": "CCC1=CC2=C(C=C1N1CCC(NC(=O)CCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1", "label": -1}, "3946": {"pro_comp_id": 2208, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_270_lig_smina_out.mol2", "protac_path": "2208_protac.mol2", "smiles": "CCC1=CC2=C(C=C1N1CCC(NC(=O)CCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1", "label": -1}, "3947": {"pro_comp_id": 2209, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_270_lig_smina_out.mol2", "protac_path": "2209_protac.mol2", "smiles": "CCC1=CC2=C(C=C1N1CCN(C(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1", "label": 1}, "3948": {"pro_comp_id": 2209, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_270_lig_smina_out.mol2", "protac_path": "2209_protac.mol2", "smiles": "CCC1=CC2=C(C=C1N1CCN(C(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1", "label": -1}, "3949": {"pro_comp_id": 2210, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_270_lig_smina_out.mol2", "protac_path": "2210_protac.mol2", "smiles": "CCC1=CC2=C(C=C1N1CCN(C(=O)CCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1", "label": 0}, "3950": {"pro_comp_id": 2210, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_270_lig_smina_out.mol2", "protac_path": "2210_protac.mol2", "smiles": "CCC1=CC2=C(C=C1N1CCN(C(=O)CCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1", "label": -1}, "3951": {"pro_comp_id": 2211, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_270_lig_smina_out.mol2", "protac_path": "2211_protac.mol2", "smiles": "CCC1=CC2=C(C=C1N1CCN(C(=O)CCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1", "label": 0}, "3952": {"pro_comp_id": 2211, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_270_lig_smina_out.mol2", "protac_path": "2211_protac.mol2", "smiles": "CCC1=CC2=C(C=C1N1CCN(C(=O)CCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1", "label": -1}, "3953": {"pro_comp_id": 2212, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_270_lig_smina_out.mol2", "protac_path": "2212_protac.mol2", "smiles": "CCC1=CC2=C(C=C1N1CCC(NC(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1", "label": -1}, "3954": {"pro_comp_id": 2213, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_270_lig_smina_out.mol2", "protac_path": "2213_protac.mol2", "smiles": "CCC1=CC2=C(C=C1N1CCC(NC(=O)CCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1", "label": -1}, "3955": {"pro_comp_id": 2214, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_270_lig_smina_out.mol2", "protac_path": "2214_protac.mol2", "smiles": "CCC1=CC2=C(C=C1N1CCC(NC(=O)CCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1", "label": -1}, "3956": {"pro_comp_id": 2215, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_270_lig_smina_out.mol2", "protac_path": "2215_protac.mol2", "smiles": "CCC1=CC2=C(C=C1N1CCC(N3CCN(C(=O)CCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1", "label": -1}, "3957": {"pro_comp_id": 2216, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_270_lig_smina_out.mol2", "protac_path": "2216_protac.mol2", "smiles": "CCC1=CC2=C(C=C1N1CCC(N3CCN(C(=O)CCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1", "label": -1}, "3958": {"pro_comp_id": 2217, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_270_lig_smina_out.mol2", "protac_path": "2217_protac.mol2", "smiles": "CCC1=CC2=C(C=C1N1CCC(N3CCN(C(=O)CNC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1", "label": 1}, "3959": {"pro_comp_id": 2217, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_270_lig_smina_out.mol2", "protac_path": "2217_protac.mol2", "smiles": "CCC1=CC2=C(C=C1N1CCC(N3CCN(C(=O)CNC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1", "label": -1}, "3960": {"pro_comp_id": 2218, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_270_lig_smina_out.mol2", "protac_path": "2218_protac.mol2", "smiles": "CCC1=CC2=C(C=C1N1CCC(N3CCN(C(=O)CCCNC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1", "label": -1}, "3961": {"pro_comp_id": 2219, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_270_lig_smina_out.mol2", "protac_path": "2219_protac.mol2", "smiles": "CCC1=CC2=C(C=C1N1CCC(N3CCN(C(=O)CCCCNC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1", "label": -1}, "3962": {"pro_comp_id": 2220, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_270_lig_smina_out.mol2", "protac_path": "2220_protac.mol2", "smiles": "CCC1=CC2=C(C=C1N1CCC(N3CCN(C(=O)CCCCCNC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1", "label": -1}, "3963": {"pro_comp_id": 2221, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_270_lig_smina_out.mol2", "protac_path": "2221_protac.mol2", "smiles": "CCC1=CC2=C(C=C1N1CCC(N3CCN(C(=O)CCCCCCNC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1", "label": -1}, "3964": {"pro_comp_id": 2222, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_270_lig_smina_out.mol2", "protac_path": "2222_protac.mol2", "smiles": "CCC1=CC2=C(C=C1N1CCC(N3CCN(CCCC#CC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1", "label": 0}, "3965": {"pro_comp_id": 2222, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_270_lig_smina_out.mol2", "protac_path": "2222_protac.mol2", "smiles": "CCC1=CC2=C(C=C1N1CCC(N3CCN(CCCC#CC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1", "label": 0}, "3966": {"pro_comp_id": 2223, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_270_lig_smina_out.mol2", "protac_path": "2223_protac.mol2", "smiles": "CCC1=CC2=C(C=C1N1CCC(N3CCN(CCCCC#CC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1", "label": -1}, "3967": {"pro_comp_id": 2224, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_270_lig_smina_out.mol2", "protac_path": "2224_protac.mol2", "smiles": "CCC1=CC2=C(C=C1N1CCC(N3CCN(CCCCCC#CC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1", "label": -1}, "3968": {"pro_comp_id": 2225, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_270_lig_smina_out.mol2", "protac_path": "2225_protac.mol2", "smiles": "CCC1=CC2=C(C=C1N1CCC(N3CCN(CCCCCCC#CC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1", "label": -1}, "3969": {"pro_comp_id": 2226, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_270_lig_smina_out.mol2", "protac_path": "2226_protac.mol2", "smiles": "CCC1=CC2=C(C=C1N1CCC(N3CCN(CCCCCCCC#CC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1", "label": -1}, "3970": {"pro_comp_id": 2227, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_P00533_271_lig_smina_out.mol2", "protac_path": "2227_protac.mol2", "smiles": "C=CC(=O)NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCCCN1CCN(C(=O)CNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "3971": {"pro_comp_id": 2227, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_P00533_271_lig_smina_out.mol2", "protac_path": "2227_protac.mol2", "smiles": "C=CC(=O)NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCCCN1CCN(C(=O)CNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "3972": {"pro_comp_id": 2228, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_P00533_271_lig_smina_out.mol2", "protac_path": "2228_protac.mol2", "smiles": "C=CC(=O)NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCCCN1CCN(C(=O)CCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "3973": {"pro_comp_id": 2228, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_P00533_271_lig_smina_out.mol2", "protac_path": "2228_protac.mol2", "smiles": "C=CC(=O)NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCCCN1CCN(C(=O)CCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "3974": {"pro_comp_id": 2229, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_P00533_271_lig_smina_out.mol2", "protac_path": "2229_protac.mol2", "smiles": "C=CC(=O)NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCCCN1CCN(C(=O)CCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "3975": {"pro_comp_id": 2229, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_P00533_271_lig_smina_out.mol2", "protac_path": "2229_protac.mol2", "smiles": "C=CC(=O)NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCCCN1CCN(C(=O)CCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "3976": {"pro_comp_id": 2230, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_P00533_271_lig_smina_out.mol2", "protac_path": "2230_protac.mol2", "smiles": "C=CC(=O)NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCCCN1CCN(C(=O)CCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "3977": {"pro_comp_id": 2230, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_P00533_271_lig_smina_out.mol2", "protac_path": "2230_protac.mol2", "smiles": "C=CC(=O)NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCCCN1CCN(C(=O)CCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "3978": {"pro_comp_id": 2231, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_P00533_271_lig_smina_out.mol2", "protac_path": "2231_protac.mol2", "smiles": "C=CC(=O)NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCCCN1CCN(C(=O)CCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": 1}, "3979": {"pro_comp_id": 2231, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_P00533_271_lig_smina_out.mol2", "protac_path": "2231_protac.mol2", "smiles": "C=CC(=O)NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCCCN1CCN(C(=O)CCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": 0}, "3980": {"pro_comp_id": 2232, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_P00533_271_lig_smina_out.mol2", "protac_path": "2232_protac.mol2", "smiles": "C=CC(=O)NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCCCN1CCN(C(=O)CCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": 1}, "3981": {"pro_comp_id": 2232, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_P00533_271_lig_smina_out.mol2", "protac_path": "2232_protac.mol2", "smiles": "C=CC(=O)NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCCCN1CCN(C(=O)CCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": 1}, "3982": {"pro_comp_id": 2233, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SHP2_Q06124_272_lig_smina_out.mol2", "protac_path": "2233_protac.mol2", "smiles": "C[C@@H]1OCC2(CCN(C3=CN=C(SC4=CC=CC(NC(=O)CCC(=O)NCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)=C4Cl)C(N)=N3)CC2)[C@@H]1N", "label": -1}, "3983": {"pro_comp_id": 2234, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SHP2_Q06124_272_lig_smina_out.mol2", "protac_path": "2234_protac.mol2", "smiles": "C[C@@H]1OCC2(CCN(C3=CN=C(SC4=CC=CC(NC(=O)CCC(=O)NCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)=C4Cl)C(N)=N3)CC2)[C@@H]1N", "label": -1}, "3984": {"pro_comp_id": 2235, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SHP2_Q06124_272_lig_smina_out.mol2", "protac_path": "2235_protac.mol2", "smiles": "C[C@@H]1OCC2(CCN(C3=CN=C(SC4=CC=CC(NC(=O)CCC(=O)NCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)=C4Cl)C(N)=N3)CC2)[C@@H]1N", "label": -1}, "3985": {"pro_comp_id": 2236, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SHP2_Q06124_272_lig_smina_out.mol2", "protac_path": "2236_protac.mol2", "smiles": "C[C@@H]1OCC2(CCN(C3=CN=C(SC4=CC=CC(NC(=O)CCC(=O)NCCCOCCOCCOCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)=C4Cl)C(N)=N3)CC2)[C@@H]1N", "label": 1}, "3986": {"pro_comp_id": 2237, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "SHP2_Q06124_272_lig_smina_out.mol2", "protac_path": "2237_protac.mol2", "smiles": "C[C@@H]1CCC2(CCN(C3=CN=C(SC4=CC=CC(NC(=O)CCC(=O)NCCOCCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)=C4Cl)C(N)=N3)CC2)[C@@H]1N", "label": -1}, "3987": {"pro_comp_id": 2238, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "SHP2_Q06124_272_lig_smina_out.mol2", "protac_path": "2238_protac.mol2", "smiles": "C[C@@H]1CCC2(CCN(C3=CN=C(SC4=CC=CC(NC(=O)CCC(=O)NCCOCCOCCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)=C4Cl)C(N)=N3)CC2)[C@@H]1N", "label": -1}, "3988": {"pro_comp_id": 2239, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "SHP2_Q06124_272_lig_smina_out.mol2", "protac_path": "2239_protac.mol2", "smiles": "C[C@@H]1CCC2(CCN(C3=CN=C(SC4=CC=CC(NC(=O)CCC(=O)NCCOCCOCCOCCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)=C4Cl)C(N)=N3)CC2)[C@@H]1N", "label": -1}, "3989": {"pro_comp_id": 2240, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "SHP2_Q06124_272_lig_smina_out.mol2", "protac_path": "2240_protac.mol2", "smiles": "C[C@@H]1CCC2(CCN(C3=CN=C(SC4=CC=CC(NC(=O)CCC(=O)NCCCOCCOCCOCCCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)=C4Cl)C(N)=N3)CC2)[C@@H]1N", "label": -1}, "3990": {"pro_comp_id": 2241, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SHP2_Q06124_272_lig_smina_out.mol2", "protac_path": "2241_protac.mol2", "smiles": "C[C@@H]1CCC2(CCN(C3=CN=C(SC4=CC=CC(NC(=O)CCC(=O)NCCCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)=C4Cl)C(N)=N3)CC2)[C@@H]1N", "label": -1}, "3991": {"pro_comp_id": 2242, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SHP2_Q06124_272_lig_smina_out.mol2", "protac_path": "2242_protac.mol2", "smiles": "C[C@@H]1CCC2(CCN(C3=CN=C(SC4=CC=CC(NC(=O)CCC(=O)NCCCCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)=C4Cl)C(N)=N3)CC2)[C@@H]1N", "label": -1}, "3992": {"pro_comp_id": 2243, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SHP2_Q06124_272_lig_smina_out.mol2", "protac_path": "2243_protac.mol2", "smiles": "C[C@@H]1CCC2(CCN(C3=CN=C(SC4=CC=CC(NC(=O)CCC(=O)NCCCCCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)=C4Cl)C(N)=N3)CC2)[C@@H]1N", "label": -1}, "3993": {"pro_comp_id": 2244, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SHP2_Q06124_272_lig_smina_out.mol2", "protac_path": "2244_protac.mol2", "smiles": "C[C@@H]1CCC2(CCN(C3=CN=C(SC4=CC=CC(NC(=O)CCC(=O)NCCCCCCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)=C4Cl)C(N)=N3)CC2)[C@@H]1N", "label": -1}, "3994": {"pro_comp_id": 2245, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SHP2_Q06124_272_lig_smina_out.mol2", "protac_path": "2245_protac.mol2", "smiles": "C[C@@H]1CCC2(CCN(C3=CN=C(SC4=CC=CC(NC(=O)CCC(=O)NCCCCCCCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)=C4Cl)C(N)=N3)CC2)[C@@H]1N", "label": -1}, "3995": {"pro_comp_id": 2246, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SHP2_Q06124_272_lig_smina_out.mol2", "protac_path": "2246_protac.mol2", "smiles": "C[C@@H]1CCC2(CCN(C3=CN=C(SC4=CC=CC(NC(=O)CCC(=O)NCCCCCCCCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)=C4Cl)C(N)=N3)CC2)[C@@H]1N", "label": -1}, "3996": {"pro_comp_id": 2247, "tar_path": "PARP14_Q460N5.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP14_Q460N5_273_lig_smina_out.mol2", "protac_path": "2247_protac.mol2", "smiles": "O=C(CN1CCC(SCC2=NC3=CC(NC4CCCC4)=CC(F)=C3C(=O)[NH]2)CC1)NCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 1}, "3997": {"pro_comp_id": 2248, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_274_lig_smina_out.mol2", "protac_path": "2248_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCN1CCC[C@@H](NC2=NC=C(Cl)C(C3=C[NH]C4=CC=CC=C34)=N2)C1", "label": -1}, "3998": {"pro_comp_id": 2249, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_274_lig_smina_out.mol2", "protac_path": "2249_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCN1CCC[C@@H](NC2=NC=C(Cl)C(C3=C[NH]C4=CC=CC=C34)=N2)C1", "label": -1}, "3999": {"pro_comp_id": 2250, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_274_lig_smina_out.mol2", "protac_path": "2250_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCN1CCC[C@@H](NC2=NC=C(Cl)C(C3=C[NH]C4=CC=CC=C34)=N2)C1", "label": -1}, "4000": {"pro_comp_id": 2251, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_274_lig_smina_out.mol2", "protac_path": "2251_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCN1CCC[C@@H](NC2=NC=C(Cl)C(C3=C[NH]C4=CC=CC=C34)=N2)C1", "label": -1}, "4001": {"pro_comp_id": 2251, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_274_lig_smina_out.mol2", "protac_path": "2251_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCN1CCC[C@@H](NC2=NC=C(Cl)C(C3=C[NH]C4=CC=CC=C34)=N2)C1", "label": -1}, "4002": {"pro_comp_id": 2252, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_274_lig_smina_out.mol2", "protac_path": "2252_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOCCOCCN1CCC[C@@H](NC2=NC=C(Cl)C(C3=C[NH]C4=CC=CC=C34)=N2)C1", "label": -1}, "4003": {"pro_comp_id": 2253, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_274_lig_smina_out.mol2", "protac_path": "2253_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOCCOCCOCCN1CCC[C@@H](NC2=NC=C(Cl)C(C3=C[NH]C4=CC=CC=C34)=N2)C1", "label": -1}, "4004": {"pro_comp_id": 2254, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_274_lig_smina_out.mol2", "protac_path": "2254_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCC(=O)N1CCC[C@@H](NC2=NC=C(Cl)C(C3=C[NH]C4=CC=CC=C34)=N2)C1", "label": -1}, "4005": {"pro_comp_id": 2255, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_275_lig_smina_out.mol2", "protac_path": "2255_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(N[C@@H]2CCCN(CCCCCCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)=NC=C1Cl", "label": -1}, "4006": {"pro_comp_id": 2255, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_275_lig_smina_out.mol2", "protac_path": "2255_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(N[C@@H]2CCCN(CCCCCCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)=NC=C1Cl", "label": -1}, "4007": {"pro_comp_id": 2255, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_275_lig_smina_out.mol2", "protac_path": "2255_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(N[C@@H]2CCCN(CCCCCCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)=NC=C1Cl", "label": -1}, "4008": {"pro_comp_id": 2256, "tar_path": "FKBP12_P62942.pdb", "e3_ligase_path": "DCAF11_Q8TEB1.pdb", "e3_lig_path": "DCAF11_Q8TEB1_67_lig_smina_out.mol2", "war_path": "FKBP12_P62942_50_lig_smina_out.mol2", "protac_path": "2256_protac.mol2", "smiles": "CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCC1=CC=C(OC)C(OC)=C1)C1=CC=CC(OCC(=O)NCCCOCCOCCOCCCN(C(=O)CCl)C(C(=O)NCC2=CC=CC=C2)C2=CC=C(Cl)C(Cl)=C2)=C1", "label": -1}, "4009": {"pro_comp_id": 2257, "tar_path": "FKBP12_P62942.pdb", "e3_ligase_path": "DCAF11_Q8TEB1.pdb", "e3_lig_path": "DCAF11_Q8TEB1_68_lig_smina_out.mol2", "war_path": "FKBP12_P62942_50_lig_smina_out.mol2", "protac_path": "2257_protac.mol2", "smiles": "CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCC1=CC=C(OC)C(OC)=C1)C1=CC=CC(OCC(=O)NCCCOCCOCCOCCCN(C(=O)CCl)C(C(=O)NCC2=CC=CC=C2)C2=CC=C(Cl)C=C2)=C1", "label": -1}, "4010": {"pro_comp_id": 2258, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "DCAF11_Q8TEB1.pdb", "e3_lig_path": "DCAF11_Q8TEB1_67_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "2258_protac.mol2", "smiles": "CC1(C)[C@H](NC(=O)C2=CC=C(OCC(=O)NCCCOCCOCCOCCCN(C(=O)CCl)C(C(=O)NCC3=CC=CC=C3)C3=CC=C(Cl)C(Cl)=C3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1", "label": -1}, "4011": {"pro_comp_id": 2259, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FLT3-ITD_P36888_276_lig_smina_out.mol2", "protac_path": "2259_protac.mol2", "smiles": "NC1=C(C2=NC3=CC(N4CCN(C(=O)CCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C3[NH]2)C(=O)[NH]C2=CC=CC(F)=C12", "label": 1}, "4012": {"pro_comp_id": 2260, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FLT3-ITD_P36888_276_lig_smina_out.mol2", "protac_path": "2260_protac.mol2", "smiles": "NC1=C(C2=NC3=CC(N4CCN(C(=O)CCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C3[NH]2)C(=O)[NH]C2=CC=CC(F)=C12", "label": 1}, "4013": {"pro_comp_id": 2261, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FLT3-ITD_P36888_276_lig_smina_out.mol2", "protac_path": "2261_protac.mol2", "smiles": "NC1=C(C2=NC3=CC(N4CCN(C(=O)CCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C3[NH]2)C(=O)[NH]C2=CC=CC(F)=C12", "label": -1}, "4014": {"pro_comp_id": 2262, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FLT3-ITD_P36888_276_lig_smina_out.mol2", "protac_path": "2262_protac.mol2", "smiles": "NC1=C(C2=NC3=CC(N4CCN(CCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C3[NH]2)C(=O)[NH]C2=CC=CC(F)=C12", "label": -1}, "4015": {"pro_comp_id": 2263, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FLT3-ITD_P36888_276_lig_smina_out.mol2", "protac_path": "2263_protac.mol2", "smiles": "NC1=C(C2=NC3=CC(N4CCN(CCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C3[NH]2)C(=O)[NH]C2=CC=CC(F)=C12", "label": -1}, "4016": {"pro_comp_id": 2264, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FLT3-ITD_P36888_276_lig_smina_out.mol2", "protac_path": "2264_protac.mol2", "smiles": "NC1=C(C2=NC3=CC(N4CCN(CCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C3[NH]2)C(=O)[NH]C2=CC=CC(F)=C12", "label": -1}, "4017": {"pro_comp_id": 2265, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FLT3-ITD_P36888_276_lig_smina_out.mol2", "protac_path": "2265_protac.mol2", "smiles": "NC1=C(C2=NC3=CC(N4CCN(CCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C3[NH]2)C(=O)[NH]C2=CC=CC(F)=C12", "label": -1}, "4018": {"pro_comp_id": 2266, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FLT3-ITD_P36888_276_lig_smina_out.mol2", "protac_path": "2266_protac.mol2", "smiles": "NC1=C(C2=NC3=CC(N4CCN(CCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C3[NH]2)C(=O)[NH]C2=CC=CC(F)=C12", "label": -1}, "4019": {"pro_comp_id": 2267, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FLT3-ITD_P36888_276_lig_smina_out.mol2", "protac_path": "2267_protac.mol2", "smiles": "NC1=C(C2=NC3=CC(N4CCN(CCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C3[NH]2)C(=O)[NH]C2=CC=CC(F)=C12", "label": -1}, "4020": {"pro_comp_id": 2268, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3-ITD_P36888_276_lig_smina_out.mol2", "protac_path": "2268_protac.mol2", "smiles": "NC1=C(C2=NC3=CC(N4CCN(CCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C3[NH]2)C(=O)[NH]C2=CC=CC(F)=C12", "label": -1}, "4021": {"pro_comp_id": 2269, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3-ITD_P36888_276_lig_smina_out.mol2", "protac_path": "2269_protac.mol2", "smiles": "NC1=C(C2=NC3=CC(N4CCN(CCCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C3[NH]2)C(=O)[NH]C2=CC=CC(F)=C12", "label": -1}, "4022": {"pro_comp_id": 2270, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3-ITD_P36888_276_lig_smina_out.mol2", "protac_path": "2270_protac.mol2", "smiles": "NC1=C(C2=NC3=CC(N4CCN(CCCCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C3[NH]2)C(=O)[NH]C2=CC=CC(F)=C12", "label": -1}, "4023": {"pro_comp_id": 2271, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FLT3-ITD_P36888_276_lig_smina_out.mol2", "protac_path": "2271_protac.mol2", "smiles": "NC1=C(C2=NC3=CC(N4CCN(C(=O)CCC#CC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C3[NH]2)C(=O)[NH]C2=CC=CC(F)=C12", "label": -1}, "4024": {"pro_comp_id": 2272, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FLT3-ITD_P36888_276_lig_smina_out.mol2", "protac_path": "2272_protac.mol2", "smiles": "NC1=C(C2=NC3=CC(N4CCN(C(=O)CCCC#CC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C3[NH]2)C(=O)[NH]C2=CC=CC(F)=C12", "label": -1}, "4025": {"pro_comp_id": 2273, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FLT3-ITD_P36888_276_lig_smina_out.mol2", "protac_path": "2273_protac.mol2", "smiles": "NC1=C(C2=NC3=CC(N4CCN(C(=O)CCCCC#CC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C3[NH]2)C(=O)[NH]C2=CC=CC(F)=C12", "label": -1}, "4026": {"pro_comp_id": 2274, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "FLT3-ITD_P36888_276_lig_smina_out.mol2", "protac_path": "2274_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCC(=O)N3CCN(C4=CC=C5[NH]C(C6=C(N)C7=C(F)C=CC=C7[NH]C6=O)=NC5=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4027": {"pro_comp_id": 2275, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "2275_protac.mol2", "smiles": "CN1CCN(C2=CC=C(C3=CC=C(C(=O)NCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)C=C2NC(=O)C2=C[NH]C(=O)C=C2C(F)(F)F)CC1", "label": 0}, "4028": {"pro_comp_id": 2276, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "2276_protac.mol2", "smiles": "CN1CCN(C2=CC=C(C3=CC=C(C(=O)NCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)C=C2NC(=O)C2=CN=C(O)C=C2C(F)(F)F)CC1", "label": 0}, "4029": {"pro_comp_id": 2277, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "2277_protac.mol2", "smiles": "CN1CCN(C2=CC=C(C3=CC=C(C(=O)NCCOCCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)C=C2NC(=O)C2=C[NH]C(=O)C=C2C(F)(F)F)CC1", "label": 0}, "4030": {"pro_comp_id": 2278, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "2278_protac.mol2", "smiles": "CN1CCN(C2=CC=C(C3=CC=C(C(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)C=C2NC(=O)C2=C[NH]C(=O)C=C2C(F)(F)F)CC1", "label": 0}, "4031": {"pro_comp_id": 2279, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "2279_protac.mol2", "smiles": "CN1CCN(C2=CC=C(C3=CC=C(C(=O)NCC4=CC=C(CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C=C4)C=C3)C=C2NC(=O)C2=C[NH]C(=O)C=C2C(F)(F)F)CC1", "label": 0}, "4032": {"pro_comp_id": 2280, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "2280_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCNC(=O)C3=CC=C(C4=CC=C(N5CCN(C)CC5)C(NC(=O)C5=C[NH]C(=O)C=C5C(F)(F)F)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4033": {"pro_comp_id": 2281, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "2281_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCNC(=O)C3=CC=C(C4=CC=C(N5CCN(C)CC5)C(NC(=O)C5=C[NH]C(=O)C=C5C(F)(F)F)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4034": {"pro_comp_id": 2282, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "2282_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCNC(=O)C3=CC=C(C4=CC=C(N5CCN(C)CC5)C(NC(=O)C5=C[NH]C(=O)C=C5C(F)(F)F)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4035": {"pro_comp_id": 2283, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "2283_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3=CC=C(C4=CC=C(N5CCN(C)CC5)C(NC(=O)C5=C[NH]C(=O)C=C5C(F)(F)F)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4036": {"pro_comp_id": 2284, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "2284_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCNC(=O)C3=CC=C(C4=CC=C(N5CCN(C)CC5)C(NC(=O)C5=C[NH]C(=O)C=C5C(F)(F)F)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4037": {"pro_comp_id": 2285, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "2285_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCNC(=O)C3=CC=C(C4=CC=C(N5CCN(C)CC5)C(NC(=O)C5=C[NH]C(=O)C=C5C(F)(F)F)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4038": {"pro_comp_id": 2286, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "2286_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCNC(=O)C3=CC=C(C4=CC=C(N5CCN(C)CC5)C(NC(=O)C5=C[NH]C(=O)C=C5C(F)(F)F)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "4039": {"pro_comp_id": 2287, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "2287_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCNC(=O)C3=CC=C(C4=CC=C(N5CCN(C)CC5)C(NC(=O)C5=C[NH]C(=O)C=C5C(F)(F)F)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4040": {"pro_comp_id": 2288, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "2288_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCNC(=O)C3=CC=C(C4=CC=C(N5CCN(C)CC5)C(NC(=O)C5=C[NH]C(=O)C=C5C(F)(F)F)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4041": {"pro_comp_id": 2289, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "2289_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CC3=CC=C(CNC(=O)C4=CC=C(C5=CC=C(N6CCN(C)CC6)C(NC(=O)C6=C[NH]C(=O)C=C6C(F)(F)F)=C5)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4042": {"pro_comp_id": 2290, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_10_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "2290_protac.mol2", "smiles": "COC1=CC(C(=O)NCCOCCNC(=O)C2=CC=C(C3=CC=C(N4CCN(C)CC4)C(NC(=O)C4=C[NH]C(=O)C=C4C(F)(F)F)=C3)C=C2)=CC=C1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](C#N)(C2=CC=C(Cl)C=C2F)[C@H]1C1=CC=CC(Cl)=C1F", "label": -1}, "4043": {"pro_comp_id": 2291, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_10_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "2291_protac.mol2", "smiles": "COC1=CC(C(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C2=CC=C(C3=CC=C(N4CCN(C)CC4)C(NC(=O)C4=C[NH]C(=O)C=C4C(F)(F)F)=C3)C=C2)=CC=C1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](C#N)(C2=CC=C(Cl)C=C2F)[C@H]1C1=CC=CC(Cl)=C1F", "label": -1}, "4044": {"pro_comp_id": 2292, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_10_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "2292_protac.mol2", "smiles": "COC1=CC(C(=O)NCC2=CC=C(CNC(=O)C3=CC=C(C4=CC=C(N5CCN(C)CC5)C(NC(=O)C5=C[NH]C(=O)C=C5C(F)(F)F)=C4)C=C3)C=C2)=CC=C1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](C#N)(C2=CC=C(Cl)C=C2F)[C@H]1C1=CC=CC(Cl)=C1F", "label": -1}, "4045": {"pro_comp_id": 2293, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "WDR5_P61964_278_lig_smina_out.mol2", "protac_path": "2293_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOC3=CC=C(C4=CN5CCCC5=N4)C=C3CNC(=O)CC3=CC=C(Cl)C(Cl)=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4046": {"pro_comp_id": 2294, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "WDR5_P61964_278_lig_smina_out.mol2", "protac_path": "2294_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOC3=CC=C(C4=CN5CCCC5=N4)C=C3CNC(=O)CC3=CC=C(Cl)C(Cl)=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4047": {"pro_comp_id": 2295, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "WDR5_P61964_278_lig_smina_out.mol2", "protac_path": "2295_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOC3=CC=C(C4=CN5CCCC5=N4)C=C3CNC(=O)CC3=CC=C(Cl)C(Cl)=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4048": {"pro_comp_id": 2296, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "WDR5_P61964_278_lig_smina_out.mol2", "protac_path": "2296_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOC3=CC=C(C4=CN5CCCC5=N4)C=C3CNC(=O)CC3=CC=C(Cl)C(Cl)=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4049": {"pro_comp_id": 2297, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "WDR5_P61964_278_lig_smina_out.mol2", "protac_path": "2297_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCOC3=CC=C(C4=CN5CCCC5=N4)C=C3CNC(=O)CC3=CC=C(Cl)C(Cl)=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4050": {"pro_comp_id": 2298, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "WDR5_P61964_278_lig_smina_out.mol2", "protac_path": "2298_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCOCCOC3=CC=C(C4=CN5CCCC5=N4)C=C3CNC(=O)CC3=CC=C(Cl)C(Cl)=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4051": {"pro_comp_id": 2299, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "WDR5_P61964_278_lig_smina_out.mol2", "protac_path": "2299_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOC3=CC=C(C4=CN5CCCC5=N4)C=C3CNC(=O)CC3=CC=C(Cl)C(Cl)=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4052": {"pro_comp_id": 2300, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "2300_protac.mol2", "smiles": "CC1(C)[C@H](NC(=O)C2=CC=C(NCCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1", "label": 0}, "4053": {"pro_comp_id": 2301, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "2301_protac.mol2", "smiles": "CC1(C)[C@H](NC(=O)C2=CC=C(NCCCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1", "label": 0}, "4054": {"pro_comp_id": 2302, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "2302_protac.mol2", "smiles": "CC1(C)[C@H](NC(=O)C2=CC=C(NCCCCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1", "label": 1}, "4055": {"pro_comp_id": 2303, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "2303_protac.mol2", "smiles": "CC1(C)[C@H](NC(=O)C2=CC=C(NCCCCCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1", "label": 0}, "4056": {"pro_comp_id": 2304, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "2304_protac.mol2", "smiles": "CC1(C)[C@H](NC(=O)C2=CC=C(NCCCCCCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1", "label": 0}, "4057": {"pro_comp_id": 2305, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "2305_protac.mol2", "smiles": "CC1(C)[C@H](NC(=O)C2=CC=C(NCCCCCCCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1", "label": 1}, "4058": {"pro_comp_id": 2306, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "2306_protac.mol2", "smiles": "CC1(C)[C@H](NC(=O)C2=CC=C(N3CCN(CCNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1", "label": 0}, "4059": {"pro_comp_id": 2307, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "2307_protac.mol2", "smiles": "CC1(C)[C@H](NC(=O)C2=CC=C(N3CCN(CCCNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1", "label": 0}, "4060": {"pro_comp_id": 2308, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "2308_protac.mol2", "smiles": "CC1(C)[C@H](NC(=O)C2=CC=C(N3CCN(CCCCNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1", "label": 1}, "4061": {"pro_comp_id": 2309, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "2309_protac.mol2", "smiles": "CC1(C)[C@H](NC(=O)C2=CC=C(N3CCN(CCCCCNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1", "label": 1}, "4062": {"pro_comp_id": 2310, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "2310_protac.mol2", "smiles": "CC1(C)[C@H](NC(=O)C2=CC=C(NCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1", "label": 0}, "4063": {"pro_comp_id": 2311, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "2311_protac.mol2", "smiles": "CC1(C)[C@H](NC(=O)C2=CC=C(NCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1", "label": 0}, "4064": {"pro_comp_id": 2312, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "2312_protac.mol2", "smiles": "CC1(C)[C@H](NC(=O)C2=CC=C(N3CCN(CCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1", "label": 0}, "4065": {"pro_comp_id": 2313, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "2313_protac.mol2", "smiles": "CC1(C)[C@H](NC(=O)C2=CC=C(N3CCN(CCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1", "label": 0}, "4066": {"pro_comp_id": 2314, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "2314_protac.mol2", "smiles": "CC1(C)[C@H](NC(=O)C2=CC=C(N3CCN(CCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1", "label": 0}, "4067": {"pro_comp_id": 2315, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "2315_protac.mol2", "smiles": "CC1(C)[C@H](NC(=O)C2=CC=C(N3CCN(C4CN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)C4)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1", "label": 1}, "4068": {"pro_comp_id": 2316, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "2316_protac.mol2", "smiles": "CC1(C)[C@H](NC(=O)C2=CC=C(N3CCN(CC4CN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)C4)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1", "label": 1}, "4069": {"pro_comp_id": 2317, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "2317_protac.mol2", "smiles": "CC1(C)[C@H](NC(=O)C2=CC=C(N3CCN(C4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1", "label": 1}, "4070": {"pro_comp_id": 2318, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "2318_protac.mol2", "smiles": "CC1(C)[C@H](NC(=O)C2=CC=C(N3CCN(CC4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1", "label": 1}, "4071": {"pro_comp_id": 2319, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "2319_protac.mol2", "smiles": "CC1(C)[C@H](NC(=O)C2=CC=C(C(=O)N3CCN(C4CN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)C4)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1", "label": 1}, "4072": {"pro_comp_id": 2320, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "2320_protac.mol2", "smiles": "CC1(C)[C@H](NC(=O)C2=CC=C(C(=O)N3CCN(CC4CN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)C4)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1", "label": 1}, "4073": {"pro_comp_id": 2321, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "2321_protac.mol2", "smiles": "CC1(C)[C@H](NC(=O)C2=CC=C(C(=O)N3CCN(C4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1", "label": 1}, "4074": {"pro_comp_id": 2322, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "2322_protac.mol2", "smiles": "CC1(C)[C@H](NC(=O)C2=CC=C(C(=O)N3CCN(CC4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1", "label": 1}, "4075": {"pro_comp_id": 2323, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "2323_protac.mol2", "smiles": "CC1(C)[C@H](NC(=O)C2=CC=C(N3CCC(N4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1", "label": 1}, "4076": {"pro_comp_id": 2324, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "2324_protac.mol2", "smiles": "CC1(C)[C@H](NC(=O)C2=CC=C(N3CCC(CN4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1", "label": 1}, "4077": {"pro_comp_id": 2325, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "2325_protac.mol2", "smiles": "CC1(C)[C@H](NC(=O)C2=CC=C(N3CCN(C4CC5(C4)CN(C4=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C4)C5)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1", "label": 1}, "4078": {"pro_comp_id": 2326, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "2326_protac.mol2", "smiles": "CC1(C)[C@H](NC(=O)C2=CC=C(N3CCN(CC4CC5(C4)CN(C4=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C4)C5)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1", "label": 1}, "4079": {"pro_comp_id": 2327, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "2327_protac.mol2", "smiles": "CC1(C)[C@H](NC(=O)C2=CC=C(N3CCN(C4CC5(CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)C5)C4)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1", "label": 1}, "4080": {"pro_comp_id": 2328, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "2328_protac.mol2", "smiles": "CC1(C)[C@H](NC(=O)C2=CC=C(N3CCN(CC4CC5(CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)C5)C4)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1", "label": 0}, "4081": {"pro_comp_id": 2329, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "2329_protac.mol2", "smiles": "CC1(C)[C@H](NC(=O)C2=CC=C(N3CCN(C4CCC5(CC4)CCN(C4=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C4)CC5)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1", "label": 0}, "4082": {"pro_comp_id": 2330, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "2330_protac.mol2", "smiles": "CC1(C)[C@H](NC(=O)C2=CC=C(N3CCN(C4CCC5(CC4)CN(C4=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C4)C5)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1", "label": 0}, "4083": {"pro_comp_id": 2331, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "2331_protac.mol2", "smiles": "CC1(C)[C@H](NC(=O)C2=CC=C(N3CCC4(CC3)CC(NC3=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C3)C4)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1", "label": 1}, "4084": {"pro_comp_id": 2332, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "2332_protac.mol2", "smiles": "CC1(C)[C@H](NC(=O)C2=CC=C(N3CCC4(CCC(NC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1", "label": 0}, "4085": {"pro_comp_id": 2333, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "2333_protac.mol2", "smiles": "CC1(C)[C@@H](NC(=O)C2=CC=C(N3CCN(CC4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C=C2)C[C@@H]1OC1=CC=C(C#N)C(Cl)=C1", "label": 0}, "4086": {"pro_comp_id": 2334, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "2334_protac.mol2", "smiles": "N#CC1=CC=C(O[C@H]2C[C@H](NC(=O)C3=CC=C(N4CCN(CC5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)C=C3)C2)C=C1Cl", "label": 0}, "4087": {"pro_comp_id": 2335, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "2335_protac.mol2", "smiles": "CC1(C)[C@H](NC(=O)C2=CC=C(N3CCN(CC4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(F)=C1", "label": 0}, "4088": {"pro_comp_id": 2336, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "2336_protac.mol2", "smiles": "CC1(C)[C@H](NC(=O)C2=CC=C(N3CCN(CC4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(C(F)(F)F)=C1", "label": 1}, "4089": {"pro_comp_id": 2337, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_14_lig_smina_out.mol2", "protac_path": "2337_protac.mol2", "smiles": "CC1(C)[C@H](NC(=O)C2=CC=C(N3CCN(CC4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C=C2)C(C)(C)[C@H]1OC1=CN=C(C#N)C(C(F)(F)F)=C1", "label": 0}, "4090": {"pro_comp_id": 2338, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "2338_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4091": {"pro_comp_id": 2338, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "2338_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4092": {"pro_comp_id": 2338, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "2338_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4093": {"pro_comp_id": 2339, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "2339_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4094": {"pro_comp_id": 2339, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "2339_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4095": {"pro_comp_id": 2339, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "2339_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4096": {"pro_comp_id": 2340, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "2340_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4097": {"pro_comp_id": 2340, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "2340_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4098": {"pro_comp_id": 2340, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "2340_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": 1}, "4099": {"pro_comp_id": 2341, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "2341_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCOC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": 1}, "4100": {"pro_comp_id": 2341, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "2341_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCOC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": 1}, "4101": {"pro_comp_id": 2341, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "2341_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCOC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": 1}, "4102": {"pro_comp_id": 2342, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "2342_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCCOCCOC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": 1}, "4103": {"pro_comp_id": 2342, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "2342_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCCOCCOC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4104": {"pro_comp_id": 2342, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "2342_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCCOCCOC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": 1}, "4105": {"pro_comp_id": 2343, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "2343_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCOC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": 1}, "4106": {"pro_comp_id": 2343, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "2343_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCOC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": 1}, "4107": {"pro_comp_id": 2343, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "2343_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCOC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": 1}, "4108": {"pro_comp_id": 2344, "tar_path": "TTK_P33981.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "TTK_P33981_279_lig_smina_out.mol2", "protac_path": "2344_protac.mol2", "smiles": "CCC(=O)N[C@H]1CC[C@@H](N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(CCOCCC(=O)N[C@@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4OC)N=C32)CC1", "label": 0}, "4109": {"pro_comp_id": 2345, "tar_path": "TTK_P33981.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "TTK_P33981_279_lig_smina_out.mol2", "protac_path": "2345_protac.mol2", "smiles": "CCC(=O)N[C@H]1CC[C@@H](N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(CCCCOCCC(=O)N[C@@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4OC)N=C32)CC1", "label": 0}, "4110": {"pro_comp_id": 2346, "tar_path": "TTK_P33981.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "TTK_P33981_279_lig_smina_out.mol2", "protac_path": "2346_protac.mol2", "smiles": "CCC(=O)N[C@H]1CC[C@@H](N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(CCCCCCOCCC(=O)N[C@@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4OC)N=C32)CC1", "label": 0}, "4111": {"pro_comp_id": 2347, "tar_path": "TTK_P33981.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "TTK_P33981_279_lig_smina_out.mol2", "protac_path": "2347_protac.mol2", "smiles": "CCC(=O)N[C@H]1CC[C@@H](N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(CCCCCCCCOCCC(=O)N[C@@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4OC)N=C32)CC1", "label": 0}, "4112": {"pro_comp_id": 2348, "tar_path": "TTK_P33981.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "TTK_P33981_279_lig_smina_out.mol2", "protac_path": "2348_protac.mol2", "smiles": "CCC(=O)N[C@H]1CC[C@@H](N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCC#CC6=CC=CC7=C6CN(C6CCC(=O)NC6=O)C7=O)CC5)C=C4OC)N=C32)CC1", "label": 0}, "4113": {"pro_comp_id": 2349, "tar_path": "TTK_P33981.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "TTK_P33981_279_lig_smina_out.mol2", "protac_path": "2349_protac.mol2", "smiles": "CCC(=O)N[C@H]1CC[C@@H](N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCC#CC6=CC=CC7=C6CN(C6CCC(=O)NC6=O)C7=O)CC5)C=C4OC)N=C32)CC1", "label": 0}, "4114": {"pro_comp_id": 2350, "tar_path": "TTK_P33981.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "TTK_P33981_279_lig_smina_out.mol2", "protac_path": "2350_protac.mol2", "smiles": "CCC(=O)N[C@H]1CC[C@@H](N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCCCC#CC6=CC=CC7=C6CN(C6CCC(=O)NC6=O)C7=O)CC5)C=C4OC)N=C32)CC1", "label": 1}, "4115": {"pro_comp_id": 2351, "tar_path": "TTK_P33981.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "TTK_P33981_279_lig_smina_out.mol2", "protac_path": "2351_protac.mol2", "smiles": "CCC(=O)N[C@H]1CC[C@@H](N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCCCCCC#CC6=CC=CC7=C6CN(C6CCC(=O)NC6=O)C7=O)CC5)C=C4OC)N=C32)CC1", "label": 1}, "4116": {"pro_comp_id": 2352, "tar_path": "TTK_P33981.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "TTK_P33981_279_lig_smina_out.mol2", "protac_path": "2352_protac.mol2", "smiles": "CCC(=O)N[C@H]1CC[C@@H](N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCC#CC6=CC=C7C(=O)N(C8CCC(=O)NC8=O)CC7=C6)CC5)C=C4OC)N=C32)CC1", "label": 1}, "4117": {"pro_comp_id": 2353, "tar_path": "TTK_P33981.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "TTK_P33981_279_lig_smina_out.mol2", "protac_path": "2353_protac.mol2", "smiles": "CCC(=O)N[C@H]1CC[C@@H](N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCC#CC6=CC=C7C(=O)N(C8CCC(=O)NC8=O)CC7=C6)CC5)C=C4OC)N=C32)CC1", "label": 1}, "4118": {"pro_comp_id": 2354, "tar_path": "TTK_P33981.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "TTK_P33981_279_lig_smina_out.mol2", "protac_path": "2354_protac.mol2", "smiles": "CCC(=O)N[C@H]1CC[C@@H](N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCCCC#CC6=CC=C7C(=O)N(C8CCC(=O)NC8=O)CC7=C6)CC5)C=C4OC)N=C32)CC1", "label": 1}, "4119": {"pro_comp_id": 2355, "tar_path": "TTK_P33981.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "TTK_P33981_279_lig_smina_out.mol2", "protac_path": "2355_protac.mol2", "smiles": "CCC(=O)N[C@H]1CC[C@@H](N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCCCCCC#CC6=CC=C7C(=O)N(C8CCC(=O)NC8=O)CC7=C6)CC5)C=C4OC)N=C32)CC1", "label": 1}, "4120": {"pro_comp_id": 2356, "tar_path": "TTK_P33981.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "TTK_P33981_279_lig_smina_out.mol2", "protac_path": "2356_protac.mol2", "smiles": "CCC(=O)N[C@H]1CC[C@@H](N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCC#CC6=CC=C7CN(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)C=C4OC)N=C32)CC1", "label": 0}, "4121": {"pro_comp_id": 2357, "tar_path": "TTK_P33981.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "TTK_P33981_279_lig_smina_out.mol2", "protac_path": "2357_protac.mol2", "smiles": "CCC(=O)N[C@H]1CC[C@@H](N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCC#CC6=CC=C7CN(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)C=C4OC)N=C32)CC1", "label": 1}, "4122": {"pro_comp_id": 2358, "tar_path": "TTK_P33981.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "TTK_P33981_279_lig_smina_out.mol2", "protac_path": "2358_protac.mol2", "smiles": "CCC(=O)N[C@H]1CC[C@@H](N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCCCC#CC6=CC=C7CN(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)C=C4OC)N=C32)CC1", "label": 1}, "4123": {"pro_comp_id": 2359, "tar_path": "TTK_P33981.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "TTK_P33981_279_lig_smina_out.mol2", "protac_path": "2359_protac.mol2", "smiles": "CCC(=O)N[C@H]1CC[C@@H](N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCCCCCC#CC6=CC=C7CN(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)C=C4OC)N=C32)CC1", "label": 1}, "4124": {"pro_comp_id": 2360, "tar_path": "TTK_P33981.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "TTK_P33981_279_lig_smina_out.mol2", "protac_path": "2360_protac.mol2", "smiles": "CCC(=O)N[C@H]1CC[C@@H](N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCC#CC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7)CC5)C=C4OC)N=C32)CC1", "label": 0}, "4125": {"pro_comp_id": 2361, "tar_path": "TTK_P33981.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "TTK_P33981_279_lig_smina_out.mol2", "protac_path": "2361_protac.mol2", "smiles": "CCC(=O)N[C@H]1CC[C@@H](N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCC#CC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7)CC5)C=C4OC)N=C32)CC1", "label": 0}, "4126": {"pro_comp_id": 2362, "tar_path": "TTK_P33981.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "TTK_P33981_279_lig_smina_out.mol2", "protac_path": "2362_protac.mol2", "smiles": "CCC(=O)N[C@H]1CC[C@@H](N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCCCC#CC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7)CC5)C=C4OC)N=C32)CC1", "label": 0}, "4127": {"pro_comp_id": 2363, "tar_path": "TTK_P33981.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "TTK_P33981_279_lig_smina_out.mol2", "protac_path": "2363_protac.mol2", "smiles": "CCC(=O)N[C@H]1CC[C@@H](N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCCCCCC#CC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7)CC5)C=C4OC)N=C32)CC1", "label": 1}, "4145": {"pro_comp_id": 2381, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "2381_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCC(=O)NCC3(C)CCC(C4=CC=C(Cl)C=C4)=C(CN4CCN(C5=CC=C(C(=O)NS(=O)(=O)C6=CC=C(N[C@H](CCN7CCOCC7)CSC7=CC=CC=C7)C(S(=O)(=O)C(F)(F)F)=C6)C=C5)CC4)C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4146": {"pro_comp_id": 2382, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "2382_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCC(=O)NCC3(C)CCC(C4=CC=C(Cl)C=C4)=C(CN4CCN(C5=CC=C(C(=O)NS(=O)(=O)C6=CC=C(N[C@H](CCN7CCOCC7)CSC7=CC=CC=C7)C(S(=O)(=O)C(F)(F)F)=C6)C=C5)CC4)C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4147": {"pro_comp_id": 2383, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "2383_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCC(=O)NCC3(C)CCC(C4=CC=C(Cl)C=C4)=C(CN4CCN(C5=CC=C(C(=O)NS(=O)(=O)C6=CC=C(N[C@H](CCN7CCOCC7)CSC7=CC=CC=C7)C(S(=O)(=O)C(F)(F)F)=C6)C=C5)CC4)C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4148": {"pro_comp_id": 2384, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "2384_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCC(=O)NCC3(C)CCC(C4=CC=C(Cl)C=C4)=C(CN4CCN(C5=CC=C(C(=O)NS(=O)(=O)C6=CC=C(N[C@H](CCN7CCOCC7)CSC7=CC=CC=C7)C(S(=O)(=O)C(F)(F)F)=C6)C=C5)CC4)C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4149": {"pro_comp_id": 2385, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "2385_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCC(=O)NCC3(C)CCC(C4=CC=C(Cl)C=C4)=C(CN4CCN(C5=CC=C(C(=O)NS(=O)(=O)C6=CC=C(N[C@H](CCN7CCOCC7)CSC7=CC=CC=C7)C(S(=O)(=O)C(F)(F)F)=C6)C=C5)CC4)C3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "4150": {"pro_comp_id": 2386, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "2386_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCC(=O)NCC3(C)CCC(C4=CC=C(Cl)C=C4)=C(CN4CCN(C5=CC=C(C(=O)NS(=O)(=O)C6=CC=C(N[C@H](CCN7CCOCC7)CSC7=CC=CC=C7)C(S(=O)(=O)C(F)(F)F)=C6)C=C5)CC4)C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4151": {"pro_comp_id": 2387, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "2387_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCC(=O)NCC3(C)CCC(C4=CC=C(Cl)C=C4)=C(CN4CCN(C5=CC=C(C(=O)NS(=O)(=O)C6=CC=C(N[C@H](CCN7CCOCC7)CSC7=CC=CC=C7)C(S(=O)(=O)C(F)(F)F)=C6)C=C5)CC4)C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4152": {"pro_comp_id": 2388, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "2388_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCC(=O)NCC3(C)CCC(C4=CC=C(Cl)C=C4)=C(CN4CCN(C5=CC=C(C(=O)NS(=O)(=O)C6=CC=C(N[C@H](CCN7CCOCC7)CSC7=CC=CC=C7)C(S(=O)(=O)C(F)(F)F)=C6)C=C5)CC4)C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4153": {"pro_comp_id": 2389, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "2389_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCC(=O)NC[C@@]3(C)CCC(C4=CC=C(Cl)C=C4)=C(CN4CCN(C5=CC=C(C(=O)NS(=O)(=O)C6=CC=C(N[C@H](CCN7CCOCC7)CSC7=CC=CC=C7)C(S(=O)(=O)C(F)(F)F)=C6)C=C5)CC4)C3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "4154": {"pro_comp_id": 2390, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "2390_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCC(=O)NC[C@]3(C)CCC(C4=CC=C(Cl)C=C4)=C(CN4CCN(C5=CC=C(C(=O)NS(=O)(=O)C6=CC=C(N[C@H](CCN7CCOCC7)CSC7=CC=CC=C7)C(S(=O)(=O)C(F)(F)F)=C6)C=C5)CC4)C3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "4155": {"pro_comp_id": 2391, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_66_lig_smina_out.mol2", "protac_path": "2391_protac.mol2", "smiles": "COC1=CC(N2CCC(N3CCN(C(=O)CCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": -1}, "4156": {"pro_comp_id": 2392, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_66_lig_smina_out.mol2", "protac_path": "2392_protac.mol2", "smiles": "COC1=CC(N2CCC(N3CCN(C(=O)CCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": -1}, "4157": {"pro_comp_id": 2393, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_66_lig_smina_out.mol2", "protac_path": "2393_protac.mol2", "smiles": "COC1=CC(N2CCC(N3CCN(C(=O)CCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": -1}, "4158": {"pro_comp_id": 2394, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_66_lig_smina_out.mol2", "protac_path": "2394_protac.mol2", "smiles": "COC1=CC(N2CCC(N3CCN(C(=O)CCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": -1}, "4159": {"pro_comp_id": 2395, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_66_lig_smina_out.mol2", "protac_path": "2395_protac.mol2", "smiles": "COC1=CC(N2CCC(N3CCN(C(=O)CCOCCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": -1}, "4160": {"pro_comp_id": 2396, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_66_lig_smina_out.mol2", "protac_path": "2396_protac.mol2", "smiles": "COC1=CC(N2CCC(N3CCN(C(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": 1}, "4161": {"pro_comp_id": 2396, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_66_lig_smina_out.mol2", "protac_path": "2396_protac.mol2", "smiles": "COC1=CC(N2CCC(N3CCN(C(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": 1}, "4162": {"pro_comp_id": 2396, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_66_lig_smina_out.mol2", "protac_path": "2396_protac.mol2", "smiles": "COC1=CC(N2CCC(N3CCN(C(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": 0}, "4163": {"pro_comp_id": 2396, "tar_path": "PTK2B_Q14289.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PTK2B_Q14289_66_lig_smina_out.mol2", "protac_path": "2396_protac.mol2", "smiles": "COC1=CC(N2CCC(N3CCN(C(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": 1}, "4164": {"pro_comp_id": 2396, "tar_path": "PTK6_Q13882.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PTK6_Q13882_66_lig_smina_out.mol2", "protac_path": "2396_protac.mol2", "smiles": "COC1=CC(N2CCC(N3CCN(C(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": 1}, "4165": {"pro_comp_id": 2396, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_66_lig_smina_out.mol2", "protac_path": "2396_protac.mol2", "smiles": "COC1=CC(N2CCC(N3CCN(C(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": 0}, "4166": {"pro_comp_id": 2396, "tar_path": "FER_P16591.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FER_P16591_66_lig_smina_out.mol2", "protac_path": "2396_protac.mol2", "smiles": "COC1=CC(N2CCC(N3CCN(C(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": 1}, "4167": {"pro_comp_id": 2396, "tar_path": "RPS6KA1_Q15418.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "RPS6KA1_Q15418_66_lig_smina_out.mol2", "protac_path": "2396_protac.mol2", "smiles": "COC1=CC(N2CCC(N3CCN(C(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": 0}, "4168": {"pro_comp_id": 2397, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_66_lig_smina_out.mol2", "protac_path": "2397_protac.mol2", "smiles": "COC1=CC(N2CCC(N3CCN(C(=O)CCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": -1}, "4169": {"pro_comp_id": 2398, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_66_lig_smina_out.mol2", "protac_path": "2398_protac.mol2", "smiles": "COC1=CC(N2CCC(N3CCN(C(=O)CCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": -1}, "4170": {"pro_comp_id": 2399, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_66_lig_smina_out.mol2", "protac_path": "2399_protac.mol2", "smiles": "COC1=CC(N2CCC(N3CCN(C(=O)CCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": -1}, "4171": {"pro_comp_id": 2400, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_66_lig_smina_out.mol2", "protac_path": "2400_protac.mol2", "smiles": "COC1=CC(N2CCC(N3CCN(C(=O)CCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": -1}, "4172": {"pro_comp_id": 2401, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_66_lig_smina_out.mol2", "protac_path": "2401_protac.mol2", "smiles": "COC1=CC(N2CCC(N3CCN(C(=O)CCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": -1}, "4173": {"pro_comp_id": 2402, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_281_lig_smina_out.mol2", "protac_path": "2402_protac.mol2", "smiles": "O=C(/C=C/CN1CCCCC1)NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCC1=CN(CCCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1", "label": -1}, "4174": {"pro_comp_id": 2403, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_281_lig_smina_out.mol2", "protac_path": "2403_protac.mol2", "smiles": "O=C(/C=C/CN1CCCCC1)NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCC1=CN(CCCCCCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1", "label": -1}, "4175": {"pro_comp_id": 2404, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_281_lig_smina_out.mol2", "protac_path": "2404_protac.mol2", "smiles": "O=C(/C=C/CN1CCCCC1)NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCC1=CN(CCCCCCCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1", "label": -1}, "4176": {"pro_comp_id": 2405, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_281_lig_smina_out.mol2", "protac_path": "2405_protac.mol2", "smiles": "O=C(/C=C/CN1CCCCC1)NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCC1=CN(CCCCCCCCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1", "label": -1}, "4177": {"pro_comp_id": 2406, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_281_lig_smina_out.mol2", "protac_path": "2406_protac.mol2", "smiles": "O=C(/C=C/CN1CCCCC1)NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCC1=CN(CCCCCCCCCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1", "label": -1}, "4178": {"pro_comp_id": 2407, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_281_lig_smina_out.mol2", "protac_path": "2407_protac.mol2", "smiles": "O=C(/C=C/CN1CCCCC1)NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCC1=CN(CCOCCOCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1", "label": -1}, "4179": {"pro_comp_id": 2408, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_281_lig_smina_out.mol2", "protac_path": "2408_protac.mol2", "smiles": "O=C(/C=C/CN1CCCCC1)NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCC1=CN(CCOCCOCCOCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1", "label": -1}, "4180": {"pro_comp_id": 2409, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_281_lig_smina_out.mol2", "protac_path": "2409_protac.mol2", "smiles": "O=C(/C=C/CN1CCCCC1)NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCC1=CN(CCOCCOCCOCCOCCOCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1", "label": -1}, "4181": {"pro_comp_id": 2410, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_281_lig_smina_out.mol2", "protac_path": "2410_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCN3C=C(COC4=CC5=NC=NC(NC6=CC=C(F)C(Cl)=C6)=C5C=C4NC(=O)/C=C/CN4CCCCC4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4182": {"pro_comp_id": 2411, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_281_lig_smina_out.mol2", "protac_path": "2411_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCN3C=C(COC4=CC5=NC=NC(NC6=CC=C(F)C(Cl)=C6)=C5C=C4NC(=O)/C=C/CN4CCCCC4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "4183": {"pro_comp_id": 2412, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_281_lig_smina_out.mol2", "protac_path": "2412_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCN3C=C(COC4=CC5=NC=NC(NC6=CC=C(F)C(Cl)=C6)=C5C=C4NC(=O)/C=C/CN4CCCCC4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4184": {"pro_comp_id": 2413, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_281_lig_smina_out.mol2", "protac_path": "2413_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCN3C=C(COC4=CC5=NC=NC(NC6=CC=C(F)C(Cl)=C6)=C5C=C4NC(=O)/C=C/CN4CCCCC4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4185": {"pro_comp_id": 2414, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_281_lig_smina_out.mol2", "protac_path": "2414_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCN3C=C(COC4=CC5=NC=NC(NC6=CC=C(F)C(Cl)=C6)=C5C=C4NC(=O)/C=C/CN4CCCCC4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "4186": {"pro_comp_id": 2415, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_281_lig_smina_out.mol2", "protac_path": "2415_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCN3C=C(COC4=CC5=NC=NC(NC6=CC=C(F)C(Cl)=C6)=C5C=C4NC(=O)/C=C/CN4CCCCC4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4187": {"pro_comp_id": 2416, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_281_lig_smina_out.mol2", "protac_path": "2416_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCN3C=C(COC4=CC5=NC=NC(NC6=CC=C(F)C(Cl)=C6)=C5C=C4NC(=O)/C=C/CN4CCCCC4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4188": {"pro_comp_id": 2417, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_281_lig_smina_out.mol2", "protac_path": "2417_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCN3C=C(COC4=CC5=NC=NC(NC6=CC=C(F)C(Cl)=C6)=C5C=C4NC(=O)/C=C/CN4CCCCC4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4189": {"pro_comp_id": 2418, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_281_lig_smina_out.mol2", "protac_path": "2418_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCN3C=C(CCCCCOC4=CC5=NC=NC(NC6=CC=C(F)C(Cl)=C6)=C5C=C4NC(=O)/C=C/CN4CCCCC4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "4190": {"pro_comp_id": 2419, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_86_lig_smina_out.mol2", "protac_path": "2419_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4191": {"pro_comp_id": 2419, "tar_path": "HDAC2_Q92769.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC2_Q92769_86_lig_smina_out.mol2", "protac_path": "2419_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4192": {"pro_comp_id": 2419, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC3_O15379_86_lig_smina_out.mol2", "protac_path": "2419_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4193": {"pro_comp_id": 2420, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_86_lig_smina_out.mol2", "protac_path": "2420_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4194": {"pro_comp_id": 2420, "tar_path": "HDAC2_Q92769.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC2_Q92769_86_lig_smina_out.mol2", "protac_path": "2420_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4195": {"pro_comp_id": 2420, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC3_O15379_86_lig_smina_out.mol2", "protac_path": "2420_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4196": {"pro_comp_id": 2421, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_86_lig_smina_out.mol2", "protac_path": "2421_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4197": {"pro_comp_id": 2421, "tar_path": "HDAC2_Q92769.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC2_Q92769_86_lig_smina_out.mol2", "protac_path": "2421_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4198": {"pro_comp_id": 2421, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC3_O15379_86_lig_smina_out.mol2", "protac_path": "2421_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4199": {"pro_comp_id": 2421, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_86_lig_smina_out.mol2", "protac_path": "2421_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4200": {"pro_comp_id": 2421, "tar_path": "HDAC2_Q92769.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC2_Q92769_86_lig_smina_out.mol2", "protac_path": "2421_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4201": {"pro_comp_id": 2421, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC3_O15379_86_lig_smina_out.mol2", "protac_path": "2421_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4202": {"pro_comp_id": 2422, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_86_lig_smina_out.mol2", "protac_path": "2422_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4203": {"pro_comp_id": 2422, "tar_path": "HDAC2_Q92769.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC2_Q92769_86_lig_smina_out.mol2", "protac_path": "2422_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4204": {"pro_comp_id": 2422, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC3_O15379_86_lig_smina_out.mol2", "protac_path": "2422_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4205": {"pro_comp_id": 2423, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_86_lig_smina_out.mol2", "protac_path": "2423_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4206": {"pro_comp_id": 2423, "tar_path": "HDAC2_Q92769.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC2_Q92769_86_lig_smina_out.mol2", "protac_path": "2423_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4207": {"pro_comp_id": 2423, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC3_O15379_86_lig_smina_out.mol2", "protac_path": "2423_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4208": {"pro_comp_id": 2424, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC3_O15379_86_lig_smina_out.mol2", "protac_path": "2424_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCOCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4209": {"pro_comp_id": 2424, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_86_lig_smina_out.mol2", "protac_path": "2424_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCOCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4210": {"pro_comp_id": 2424, "tar_path": "HDAC2_Q92769.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC2_Q92769_86_lig_smina_out.mol2", "protac_path": "2424_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCOCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4211": {"pro_comp_id": 2424, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_86_lig_smina_out.mol2", "protac_path": "2424_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCOCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4212": {"pro_comp_id": 2424, "tar_path": "HDAC2_Q92769.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC2_Q92769_86_lig_smina_out.mol2", "protac_path": "2424_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCOCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4213": {"pro_comp_id": 2424, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC3_O15379_86_lig_smina_out.mol2", "protac_path": "2424_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCOCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4214": {"pro_comp_id": 2425, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_86_lig_smina_out.mol2", "protac_path": "2425_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCCCOCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4215": {"pro_comp_id": 2425, "tar_path": "HDAC2_Q92769.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC2_Q92769_86_lig_smina_out.mol2", "protac_path": "2425_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCCCOCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4216": {"pro_comp_id": 2425, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC3_O15379_86_lig_smina_out.mol2", "protac_path": "2425_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCCCOCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4217": {"pro_comp_id": 2426, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC3_O15379_86_lig_smina_out.mol2", "protac_path": "2426_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCCCCCCOCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4218": {"pro_comp_id": 2426, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_86_lig_smina_out.mol2", "protac_path": "2426_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCCCCCCOCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4219": {"pro_comp_id": 2426, "tar_path": "HDAC2_Q92769.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC2_Q92769_86_lig_smina_out.mol2", "protac_path": "2426_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCCCCCCOCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4220": {"pro_comp_id": 2426, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_86_lig_smina_out.mol2", "protac_path": "2426_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCCCCCCOCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4221": {"pro_comp_id": 2426, "tar_path": "HDAC2_Q92769.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC2_Q92769_86_lig_smina_out.mol2", "protac_path": "2426_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCCCCCCOCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4222": {"pro_comp_id": 2426, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC3_O15379_86_lig_smina_out.mol2", "protac_path": "2426_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCCCCCCOCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4223": {"pro_comp_id": 2427, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_86_lig_smina_out.mol2", "protac_path": "2427_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4224": {"pro_comp_id": 2427, "tar_path": "HDAC2_Q92769.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC2_Q92769_86_lig_smina_out.mol2", "protac_path": "2427_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4225": {"pro_comp_id": 2427, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC3_O15379_86_lig_smina_out.mol2", "protac_path": "2427_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4226": {"pro_comp_id": 2428, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_86_lig_smina_out.mol2", "protac_path": "2428_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4227": {"pro_comp_id": 2428, "tar_path": "HDAC2_Q92769.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC2_Q92769_86_lig_smina_out.mol2", "protac_path": "2428_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4228": {"pro_comp_id": 2428, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC3_O15379_86_lig_smina_out.mol2", "protac_path": "2428_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4229": {"pro_comp_id": 2429, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_86_lig_smina_out.mol2", "protac_path": "2429_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4230": {"pro_comp_id": 2429, "tar_path": "HDAC2_Q92769.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC2_Q92769_86_lig_smina_out.mol2", "protac_path": "2429_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4231": {"pro_comp_id": 2429, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC3_O15379_86_lig_smina_out.mol2", "protac_path": "2429_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4232": {"pro_comp_id": 2430, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_86_lig_smina_out.mol2", "protac_path": "2430_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCN3CCN(CCCC(=O)NC4=CC=C(C(=O)NC5=CC=CC=C5N)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4233": {"pro_comp_id": 2430, "tar_path": "HDAC2_Q92769.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC2_Q92769_86_lig_smina_out.mol2", "protac_path": "2430_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCN3CCN(CCCC(=O)NC4=CC=C(C(=O)NC5=CC=CC=C5N)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4234": {"pro_comp_id": 2430, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC3_O15379_86_lig_smina_out.mol2", "protac_path": "2430_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCN3CCN(CCCC(=O)NC4=CC=C(C(=O)NC5=CC=CC=C5N)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4235": {"pro_comp_id": 2431, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_86_lig_smina_out.mol2", "protac_path": "2431_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC=C(F)C=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4236": {"pro_comp_id": 2431, "tar_path": "HDAC2_Q92769.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC2_Q92769_86_lig_smina_out.mol2", "protac_path": "2431_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC=C(F)C=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4237": {"pro_comp_id": 2431, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC3_O15379_86_lig_smina_out.mol2", "protac_path": "2431_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC=C(F)C=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4238": {"pro_comp_id": 2432, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_86_lig_smina_out.mol2", "protac_path": "2432_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC=C(F)C=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4239": {"pro_comp_id": 2432, "tar_path": "HDAC2_Q92769.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC2_Q92769_86_lig_smina_out.mol2", "protac_path": "2432_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC=C(F)C=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4240": {"pro_comp_id": 2432, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC3_O15379_86_lig_smina_out.mol2", "protac_path": "2432_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC=C(F)C=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4241": {"pro_comp_id": 2433, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_86_lig_smina_out.mol2", "protac_path": "2433_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCC(=O)NC3=CC=C(C(=O)NC4=CC=C(F)C=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4242": {"pro_comp_id": 2433, "tar_path": "HDAC2_Q92769.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC2_Q92769_86_lig_smina_out.mol2", "protac_path": "2433_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCC(=O)NC3=CC=C(C(=O)NC4=CC=C(F)C=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4243": {"pro_comp_id": 2433, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC3_O15379_86_lig_smina_out.mol2", "protac_path": "2433_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCC(=O)NC3=CC=C(C(=O)NC4=CC=C(F)C=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4244": {"pro_comp_id": 2434, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_86_lig_smina_out.mol2", "protac_path": "2434_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCCCCCCOCC(=O)NC3=CC=C(C(=O)NC4=CC=C(F)C=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4245": {"pro_comp_id": 2434, "tar_path": "HDAC2_Q92769.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC2_Q92769_86_lig_smina_out.mol2", "protac_path": "2434_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCCCCCCOCC(=O)NC3=CC=C(C(=O)NC4=CC=C(F)C=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4246": {"pro_comp_id": 2434, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC3_O15379_86_lig_smina_out.mol2", "protac_path": "2434_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCCCCCCOCC(=O)NC3=CC=C(C(=O)NC4=CC=C(F)C=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4247": {"pro_comp_id": 2435, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_282_lig_smina_out.mol2", "protac_path": "2435_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC(C5=CC=CS5)=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4248": {"pro_comp_id": 2435, "tar_path": "HDAC2_Q92769.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC2_Q92769_282_lig_smina_out.mol2", "protac_path": "2435_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC(C5=CC=CS5)=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4249": {"pro_comp_id": 2435, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC3_O15379_282_lig_smina_out.mol2", "protac_path": "2435_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC(C5=CC=CS5)=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4250": {"pro_comp_id": 2436, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_282_lig_smina_out.mol2", "protac_path": "2436_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC(C5=CC=CS5)=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4251": {"pro_comp_id": 2436, "tar_path": "HDAC2_Q92769.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC2_Q92769_282_lig_smina_out.mol2", "protac_path": "2436_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC(C5=CC=CS5)=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4252": {"pro_comp_id": 2436, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC3_O15379_282_lig_smina_out.mol2", "protac_path": "2436_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC(C5=CC=CS5)=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4253": {"pro_comp_id": 2437, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_282_lig_smina_out.mol2", "protac_path": "2437_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCC(=O)NC3=CC=C(C(=O)NC4=CC(C5=CC=CS5)=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4254": {"pro_comp_id": 2437, "tar_path": "HDAC2_Q92769.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC2_Q92769_282_lig_smina_out.mol2", "protac_path": "2437_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCC(=O)NC3=CC=C(C(=O)NC4=CC(C5=CC=CS5)=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4255": {"pro_comp_id": 2437, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC3_O15379_282_lig_smina_out.mol2", "protac_path": "2437_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCC(=O)NC3=CC=C(C(=O)NC4=CC(C5=CC=CS5)=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4256": {"pro_comp_id": 2438, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC3_O15379_86_lig_smina_out.mol2", "protac_path": "2438_protac.mol2", "smiles": "CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1OCCCCCCCCCCCC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2N)C=C1)C(C)(C)C", "label": 0}, "4257": {"pro_comp_id": 2438, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_86_lig_smina_out.mol2", "protac_path": "2438_protac.mol2", "smiles": "CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1OCCCCCCCCCCCC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2N)C=C1)C(C)(C)C", "label": 0}, "4258": {"pro_comp_id": 2438, "tar_path": "HDAC2_Q92769.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC2_Q92769_86_lig_smina_out.mol2", "protac_path": "2438_protac.mol2", "smiles": "CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1OCCCCCCCCCCCC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2N)C=C1)C(C)(C)C", "label": 0}, "4259": {"pro_comp_id": 2439, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "HDAC3_O15379_86_lig_smina_out.mol2", "protac_path": "2439_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCCCCCCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)=C2)SC=N1", "label": 0}, "4260": {"pro_comp_id": 2439, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_86_lig_smina_out.mol2", "protac_path": "2439_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCCCCCCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)=C2)SC=N1", "label": 0}, "4261": {"pro_comp_id": 2439, "tar_path": "HDAC2_Q92769.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "HDAC2_Q92769_86_lig_smina_out.mol2", "protac_path": "2439_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCCCCCCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)=C2)SC=N1", "label": 0}, "4262": {"pro_comp_id": 2439, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_86_lig_smina_out.mol2", "protac_path": "2439_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCCCCCCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)=C2)SC=N1", "label": -1}, "4263": {"pro_comp_id": 2439, "tar_path": "HDAC2_Q92769.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "HDAC2_Q92769_86_lig_smina_out.mol2", "protac_path": "2439_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCCCCCCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)=C2)SC=N1", "label": -1}, "4264": {"pro_comp_id": 2439, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "HDAC3_O15379_86_lig_smina_out.mol2", "protac_path": "2439_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCCCCCCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)=C2)SC=N1", "label": -1}, "4265": {"pro_comp_id": 2440, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_86_lig_smina_out.mol2", "protac_path": "2440_protac.mol2", "smiles": "CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1OCCCCNC(=O)CCCCC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2N)C=C1)C(C)(C)C", "label": 0}, "4266": {"pro_comp_id": 2440, "tar_path": "HDAC2_Q92769.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC2_Q92769_86_lig_smina_out.mol2", "protac_path": "2440_protac.mol2", "smiles": "CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1OCCCCNC(=O)CCCCC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2N)C=C1)C(C)(C)C", "label": 0}, "4267": {"pro_comp_id": 2440, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC3_O15379_86_lig_smina_out.mol2", "protac_path": "2440_protac.mol2", "smiles": "CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1OCCCCNC(=O)CCCCC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2N)C=C1)C(C)(C)C", "label": 0}, "4268": {"pro_comp_id": 2441, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_86_lig_smina_out.mol2", "protac_path": "2441_protac.mol2", "smiles": "CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1OCCCCNC(=O)CCCCCCCC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2N)C=C1)C(C)(C)C", "label": 0}, "4269": {"pro_comp_id": 2441, "tar_path": "HDAC2_Q92769.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC2_Q92769_86_lig_smina_out.mol2", "protac_path": "2441_protac.mol2", "smiles": "CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1OCCCCNC(=O)CCCCCCCC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2N)C=C1)C(C)(C)C", "label": 0}, "4270": {"pro_comp_id": 2441, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC3_O15379_86_lig_smina_out.mol2", "protac_path": "2441_protac.mol2", "smiles": "CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1OCCCCNC(=O)CCCCCCCC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2N)C=C1)C(C)(C)C", "label": 0}, "4271": {"pro_comp_id": 2442, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EZH2_Q15910_231_lig_smina_out.mol2", "protac_path": "2442_protac.mol2", "smiles": "CCN(C1=CC(C2=CC=C(C(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)OC3=O)C4=O)C=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1", "label": -1}, "4272": {"pro_comp_id": 2443, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EZH2_Q15910_231_lig_smina_out.mol2", "protac_path": "2443_protac.mol2", "smiles": "CCN(C1=CC(C2=CC=C(C(=O)NCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)OC3=O)C4=O)C=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1", "label": -1}, "4273": {"pro_comp_id": 2444, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EZH2_Q15910_231_lig_smina_out.mol2", "protac_path": "2444_protac.mol2", "smiles": "CCN(C1=CC(C2=CC=C(C(=O)NCCOCCOCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1", "label": -1}, "4274": {"pro_comp_id": 2445, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EZH2_Q15910_231_lig_smina_out.mol2", "protac_path": "2445_protac.mol2", "smiles": "CCN(C1=CC(C2=CC=C(C(=O)NCCCCCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1", "label": -1}, "4275": {"pro_comp_id": 2446, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EZH2_Q15910_231_lig_smina_out.mol2", "protac_path": "2446_protac.mol2", "smiles": "CCN(C1=CC(C2=CC=C(C(=O)NCCCCCCCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1", "label": -1}, "4276": {"pro_comp_id": 2447, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EZH2_Q15910_231_lig_smina_out.mol2", "protac_path": "2447_protac.mol2", "smiles": "CCN(C1=CC(C2=CC=C(C(=O)NCCOCCOCCOCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1", "label": -1}, "4277": {"pro_comp_id": 2448, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_231_lig_smina_out.mol2", "protac_path": "2448_protac.mol2", "smiles": "CCN(C1=CC(C2=CC=C(OCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1", "label": -1}, "4278": {"pro_comp_id": 2449, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_231_lig_smina_out.mol2", "protac_path": "2449_protac.mol2", "smiles": "CCN(C1=CC(C2=CC=C(OCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1", "label": -1}, "4279": {"pro_comp_id": 2450, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_231_lig_smina_out.mol2", "protac_path": "2450_protac.mol2", "smiles": "CCN(C1=CC(C2=CC=C(OCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1", "label": -1}, "4280": {"pro_comp_id": 2451, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_231_lig_smina_out.mol2", "protac_path": "2451_protac.mol2", "smiles": "CCN(C1=CC(C2=CC=C(C(=O)NCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1", "label": -1}, "4281": {"pro_comp_id": 2452, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_231_lig_smina_out.mol2", "protac_path": "2452_protac.mol2", "smiles": "CCN(C1=CC(C2=CC=C(OCCOCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1", "label": -1}, "4282": {"pro_comp_id": 2453, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_231_lig_smina_out.mol2", "protac_path": "2453_protac.mol2", "smiles": "CCN(C1=CC(C2=CC=C(C(=O)NCCOCCOCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1", "label": -1}, "4283": {"pro_comp_id": 2454, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_231_lig_smina_out.mol2", "protac_path": "2454_protac.mol2", "smiles": "CCN(C1=CC(C2=CC=C(C(=O)NCCOCCOCCOCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1", "label": -1}, "4284": {"pro_comp_id": 2455, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_283_lig_smina_out.mol2", "protac_path": "2455_protac.mol2", "smiles": "CC(C)C1=C2N=C(NCCCCCCNCCOCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C(NCC3=CC=CC=C3)N2N=C1", "label": -1}, "4285": {"pro_comp_id": 2456, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_283_lig_smina_out.mol2", "protac_path": "2456_protac.mol2", "smiles": "CC(C)C1=C2N=C(NCCCCCCNCCOCCOCCOCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C(NCC3=CC=CC=C3)N2N=C1", "label": -1}, "4286": {"pro_comp_id": 2457, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_284_lig_smina_out.mol2", "protac_path": "2457_protac.mol2", "smiles": "CC(C)C1=C2N=C(OC3CCN(CCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)N=C(NCC3=CC=CC=C3N3C=CN=C3)N2N=C1", "label": -1}, "4287": {"pro_comp_id": 2458, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_284_lig_smina_out.mol2", "protac_path": "2458_protac.mol2", "smiles": "CC(C)C1=C2N=C(OC3CCN(CCOCCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)N=C(NCC3=CC=CC=C3N3C=CN=C3)N2N=C1", "label": -1}, "4288": {"pro_comp_id": 2459, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_285_lig_smina_out.mol2", "protac_path": "2459_protac.mol2", "smiles": "CC(C)C1=C2N=C(OC3CCN(CCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)N=C(NCC3=CC=CC=C3N(C)C)N2N=C1", "label": -1}, "4289": {"pro_comp_id": 2460, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_285_lig_smina_out.mol2", "protac_path": "2460_protac.mol2", "smiles": "CC(C)C1=C2N=C(OC3CCN(CCOCCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)N=C(NCC3=CC=CC=C3N(C)C)N2N=C1", "label": -1}, "4290": {"pro_comp_id": 2461, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_286_lig_smina_out.mol2", "protac_path": "2461_protac.mol2", "smiles": "CC(C)C1=C2N=C(OC3CCN(CCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)N=C(NCC3=CC=CC=C3)N2N=C1", "label": -1}, "4291": {"pro_comp_id": 2462, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_286_lig_smina_out.mol2", "protac_path": "2462_protac.mol2", "smiles": "CC(C)C1=C2N=C(OC3CCN(CCOCCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)N=C(NCC3=CC=CC=C3)N2N=C1", "label": -1}, "4292": {"pro_comp_id": 2463, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_283_lig_smina_out.mol2", "protac_path": "2463_protac.mol2", "smiles": "CC(C)C1=C2N=C(NCCCCCCN)C=C(NCC3=CC=CC(CCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N2N=C1", "label": -1}, "4293": {"pro_comp_id": 2464, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_283_lig_smina_out.mol2", "protac_path": "2464_protac.mol2", "smiles": "CC(C)C1=C2N=C(NCCCCCCN)C=C(NCC3=CC=C(CCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)N2N=C1", "label": -1}, "4294": {"pro_comp_id": 2465, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_285_lig_smina_out.mol2", "protac_path": "2465_protac.mol2", "smiles": "CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=C(CCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3N(C)C)N2N=C1", "label": -1}, "4295": {"pro_comp_id": 2466, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_285_lig_smina_out.mol2", "protac_path": "2466_protac.mol2", "smiles": "CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC(CCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=CC=C3N(C)C)N2N=C1", "label": -1}, "4296": {"pro_comp_id": 2467, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_285_lig_smina_out.mol2", "protac_path": "2467_protac.mol2", "smiles": "CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=C(NC(=O)CCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3N(C)C)N2N=C1", "label": -1}, "4297": {"pro_comp_id": 2468, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_285_lig_smina_out.mol2", "protac_path": "2468_protac.mol2", "smiles": "CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC(NC(=O)CCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=CC=C3N(C)C)N2N=C1", "label": -1}, "4298": {"pro_comp_id": 2469, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK9_P50750_285_lig_smina_out.mol2", "protac_path": "2469_protac.mol2", "smiles": "CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=C(NC(=O)CCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3N(C)C)N2N=C1", "label": -1}, "4299": {"pro_comp_id": 2470, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_285_lig_smina_out.mol2", "protac_path": "2470_protac.mol2", "smiles": "CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=CC(CCCCCCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3N(C)C)N2N=C1", "label": -1}, "4300": {"pro_comp_id": 2471, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_285_lig_smina_out.mol2", "protac_path": "2471_protac.mol2", "smiles": "CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=C(CCCCCCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3N(C)C)N2N=C1", "label": -1}, "4301": {"pro_comp_id": 2472, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_286_lig_smina_out.mol2", "protac_path": "2472_protac.mol2", "smiles": "CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=CC(NC(=O)CCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N2N=C1", "label": -1}, "4302": {"pro_comp_id": 2473, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_286_lig_smina_out.mol2", "protac_path": "2473_protac.mol2", "smiles": "CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=C(NC(=O)CCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)N2N=C1", "label": -1}, "4303": {"pro_comp_id": 2474, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK9_P50750_286_lig_smina_out.mol2", "protac_path": "2474_protac.mol2", "smiles": "CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=C(NC(=O)CCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)N2N=C1", "label": -1}, "4304": {"pro_comp_id": 2475, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_286_lig_smina_out.mol2", "protac_path": "2475_protac.mol2", "smiles": "CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=C(NC(=O)CCCCCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)N2N=C1", "label": -1}, "4305": {"pro_comp_id": 2476, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_286_lig_smina_out.mol2", "protac_path": "2476_protac.mol2", "smiles": "CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=C(NC(=O)CCCCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)N2N=C1", "label": -1}, "4306": {"pro_comp_id": 2477, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_286_lig_smina_out.mol2", "protac_path": "2477_protac.mol2", "smiles": "CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=C(CCCCCCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)N2N=C1", "label": -1}, "4307": {"pro_comp_id": 2478, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_286_lig_smina_out.mol2", "protac_path": "2478_protac.mol2", "smiles": "CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=C(NC(=O)CCCCCCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)N2N=C1", "label": -1}, "4308": {"pro_comp_id": 2479, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_286_lig_smina_out.mol2", "protac_path": "2479_protac.mol2", "smiles": "CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=C(NC(=O)CCCCCCCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)N2N=C1", "label": -1}, "4309": {"pro_comp_id": 2480, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_286_lig_smina_out.mol2", "protac_path": "2480_protac.mol2", "smiles": "CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=C(NC(=O)COCCOCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)N2N=C1", "label": -1}, "4310": {"pro_comp_id": 2481, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_286_lig_smina_out.mol2", "protac_path": "2481_protac.mol2", "smiles": "CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=C(CCCOCCOCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)N2N=C1", "label": -1}, "4311": {"pro_comp_id": 2482, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_286_lig_smina_out.mol2", "protac_path": "2482_protac.mol2", "smiles": "CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=C(NC(=O)COCCOCCOCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)N2N=C1", "label": -1}, "4312": {"pro_comp_id": 2483, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "CDK9_P50750_286_lig_smina_out.mol2", "protac_path": "2483_protac.mol2", "smiles": "CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=C(NC(=O)CCCCCCCCCOC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)C=C3)N2N=C1", "label": -1}, "4313": {"pro_comp_id": 2484, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "CDK9_P50750_286_lig_smina_out.mol2", "protac_path": "2484_protac.mol2", "smiles": "CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=C(NC(=O)CCCCCCCCOC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)C=C3)N2N=C1", "label": -1}, "4314": {"pro_comp_id": 2485, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "CDK9_P50750_286_lig_smina_out.mol2", "protac_path": "2485_protac.mol2", "smiles": "CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=C(NC(=O)CCCCCCCOC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)C=C3)N2N=C1", "label": -1}, "4315": {"pro_comp_id": 2486, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "CDK9_P50750_286_lig_smina_out.mol2", "protac_path": "2486_protac.mol2", "smiles": "CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=C(NC(=O)CCCCCCOC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)C=C3)N2N=C1", "label": -1}, "4316": {"pro_comp_id": 2487, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "CDK9_P50750_286_lig_smina_out.mol2", "protac_path": "2487_protac.mol2", "smiles": "CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=C(NC(=O)CCCCCOC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)C=C3)N2N=C1", "label": -1}, "4317": {"pro_comp_id": 2488, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "CDK9_P50750_286_lig_smina_out.mol2", "protac_path": "2488_protac.mol2", "smiles": "CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=C(NC(=O)CCCCCCC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)C=C3)N2N=C1", "label": -1}, "4318": {"pro_comp_id": 2489, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "CDK9_P50750_286_lig_smina_out.mol2", "protac_path": "2489_protac.mol2", "smiles": "CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=C(NC(=O)CCCCCN4CCN(CCCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N2N=C1", "label": -1}, "4319": {"pro_comp_id": 2490, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "CDK9_P50750_286_lig_smina_out.mol2", "protac_path": "2490_protac.mol2", "smiles": "CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=C(NC(=O)CCCN4CCN(CCCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N2N=C1", "label": -1}, "4320": {"pro_comp_id": 2491, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "CDK9_P50750_286_lig_smina_out.mol2", "protac_path": "2491_protac.mol2", "smiles": "CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=C(NC(=O)CCCCCN4CCN(CCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N2N=C1", "label": -1}, "4321": {"pro_comp_id": 2492, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "CDK9_P50750_286_lig_smina_out.mol2", "protac_path": "2492_protac.mol2", "smiles": "CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=C(NC(=O)CCCN4CCN(CCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N2N=C1", "label": -1}, "4322": {"pro_comp_id": 2493, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "CDK9_P50750_286_lig_smina_out.mol2", "protac_path": "2493_protac.mol2", "smiles": "CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=C(NC(=O)N4CCN(CCCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N2N=C1", "label": -1}, "4323": {"pro_comp_id": 2494, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "CDK9_P50750_286_lig_smina_out.mol2", "protac_path": "2494_protac.mol2", "smiles": "CC[C@@H](CO)NC1=NC2=C(C(C)C)C=NN2C(NCC2=CC=C(NC(=O)N3CCN(CCCCCC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=C1", "label": -1}, "4324": {"pro_comp_id": 2495, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "AR_P10275_287_lig_smina_out.mol2", "protac_path": "2495_protac.mol2", "smiles": "N#CC1=CC=C(O[C@H]2CC[C@H](NC(=O)C3=CC=C(NCCCNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C=C3)CC2)C=C1Cl", "label": 1}, "4325": {"pro_comp_id": 2496, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "AR_P10275_287_lig_smina_out.mol2", "protac_path": "2496_protac.mol2", "smiles": "N#CC1=CC=C(O[C@H]2CC[C@H](NC(=O)C3=CC=C(NCCCCNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C=C3)CC2)C=C1Cl", "label": 1}, "4326": {"pro_comp_id": 2497, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "AR_P10275_287_lig_smina_out.mol2", "protac_path": "2497_protac.mol2", "smiles": "N#CC1=CC=C(O[C@H]2CC[C@H](NC(=O)C3=CC=C(NCCCCCNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C=C3)CC2)C=C1Cl", "label": 1}, "4327": {"pro_comp_id": 2498, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "AR_P10275_287_lig_smina_out.mol2", "protac_path": "2498_protac.mol2", "smiles": "N#CC1=CC=C(O[C@H]2CC[C@H](NC(=O)C3=CC=C(NCCCCCCNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C=C3)CC2)C=C1Cl", "label": 1}, "4328": {"pro_comp_id": 2499, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "AR_P10275_287_lig_smina_out.mol2", "protac_path": "2499_protac.mol2", "smiles": "N#CC1=CC=C(O[C@H]2CC[C@H](NC(=O)C3=CC=C(NCCCCCCCNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C=C3)CC2)C=C1Cl", "label": 1}, "4329": {"pro_comp_id": 2500, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "AR_P10275_287_lig_smina_out.mol2", "protac_path": "2500_protac.mol2", "smiles": "N#CC1=CC=C(O[C@H]2CC[C@H](NC(=O)C3=CC=C(NCCCCCCCCNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C=C3)CC2)C=C1Cl", "label": 1}, "4330": {"pro_comp_id": 2501, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "AR_P10275_287_lig_smina_out.mol2", "protac_path": "2501_protac.mol2", "smiles": "N#CC1=CC=C(O[C@H]2CC[C@H](NC(=O)C3=CC=C(NCCCCCCCCCNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C=C3)CC2)C=C1Cl", "label": 1}, "4331": {"pro_comp_id": 2502, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "AR_P10275_287_lig_smina_out.mol2", "protac_path": "2502_protac.mol2", "smiles": "N#CC1=CC=C(O[C@H]2CC[C@H](NC(=O)C3=CC=C(NCCCCCCCCCCNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C=C3)CC2)C=C1Cl", "label": 0}, "4332": {"pro_comp_id": 2503, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "AR_P10275_287_lig_smina_out.mol2", "protac_path": "2503_protac.mol2", "smiles": "N#CC1=CC=C(O[C@H]2CC[C@H](NC(=O)C3=CC=C(NCCCCCCCCCCCNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C=C3)CC2)C=C1Cl", "label": 0}, "4333": {"pro_comp_id": 2504, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "AR_P10275_287_lig_smina_out.mol2", "protac_path": "2504_protac.mol2", "smiles": "N#CC1=CC=C(O[C@H]2CC[C@H](NC(=O)C3=CC=C(N4CCN(CCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)C=C1Cl", "label": 0}, "4334": {"pro_comp_id": 2505, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "AR_P10275_287_lig_smina_out.mol2", "protac_path": "2505_protac.mol2", "smiles": "N#CC1=CC=C(O[C@H]2CC[C@H](NC(=O)C3=CC=C(N4CCN(CCCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)C=C1Cl", "label": 1}, "4335": {"pro_comp_id": 2506, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "AR_P10275_287_lig_smina_out.mol2", "protac_path": "2506_protac.mol2", "smiles": "N#CC1=CC=C(O[C@H]2CC[C@H](NC(=O)C3=CC=C(N4CCN(CCCCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)C=C1Cl", "label": 0}, "4336": {"pro_comp_id": 2507, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "AR_P10275_287_lig_smina_out.mol2", "protac_path": "2507_protac.mol2", "smiles": "N#CC1=CC=C(O[C@H]2CC[C@H](NC(=O)C3=CC=C(N4CCN(CCCCCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)C=C1Cl", "label": 1}, "4337": {"pro_comp_id": 2508, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_287_lig_smina_out.mol2", "protac_path": "2508_protac.mol2", "smiles": "N#CC1=CC=C(O[C@H]2CC[C@H](NC(=O)C3=CC=C(N4CCN(CC5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)C=C3)CC2)C=C1Cl", "label": 1}, "4338": {"pro_comp_id": 2508, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_287_lig_smina_out.mol2", "protac_path": "2508_protac.mol2", "smiles": "N#CC1=CC=C(O[C@H]2CC[C@H](NC(=O)C3=CC=C(N4CCN(CC5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)C=C3)CC2)C=C1Cl", "label": -1}, "4339": {"pro_comp_id": 2509, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_287_lig_smina_out.mol2", "protac_path": "2509_protac.mol2", "smiles": "N#CC1=CC=C(O[C@H]2CC[C@H](NC(=O)C3=CC=C(N4CCN(C5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)C=C3)CC2)C=C1Cl", "label": 1}, "4340": {"pro_comp_id": 2510, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_287_lig_smina_out.mol2", "protac_path": "2510_protac.mol2", "smiles": "N#CC1=CC=C(O[C@H]2CC[C@H](NC(=O)C3=CC=C(N4CCC(N5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)C=C3)CC2)C=C1Cl", "label": -1}, "4341": {"pro_comp_id": 2510, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_287_lig_smina_out.mol2", "protac_path": "2510_protac.mol2", "smiles": "N#CC1=CC=C(O[C@H]2CC[C@H](NC(=O)C3=CC=C(N4CCC(N5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)C=C3)CC2)C=C1Cl", "label": 1}, "4342": {"pro_comp_id": 2511, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_287_lig_smina_out.mol2", "protac_path": "2511_protac.mol2", "smiles": "N#CC1=CC=C(O[C@H]2CC[C@H](NC(=O)C3=CC=C(N4CCN(CC5CN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)C5)CC4)C=C3)CC2)C=C1Cl", "label": -1}, "4343": {"pro_comp_id": 2511, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_287_lig_smina_out.mol2", "protac_path": "2511_protac.mol2", "smiles": "N#CC1=CC=C(O[C@H]2CC[C@H](NC(=O)C3=CC=C(N4CCN(CC5CN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)C5)CC4)C=C3)CC2)C=C1Cl", "label": 1}, "4344": {"pro_comp_id": 2512, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_287_lig_smina_out.mol2", "protac_path": "2512_protac.mol2", "smiles": "N#CC1=CC=C(O[C@H]2CC[C@H](NC(=O)C3=CC=C(N4CCN(C5CN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)C5)CC4)C=C3)CC2)C=C1Cl", "label": 0}, "4345": {"pro_comp_id": 2513, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_288_lig_smina_out.mol2", "protac_path": "2513_protac.mol2", "smiles": "N#CC1=CC=C(O[C@H]2CC[C@H](NC(=O)C3=CC=C(N4CCC(N5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)C=C3)C2)C=C1Cl", "label": 0}, "4346": {"pro_comp_id": 2514, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_289_lig_smina_out.mol2", "protac_path": "2514_protac.mol2", "smiles": "N#CC1=CC=C(O[C@@H]2CCC[C@@H](NC(=O)C3=CC=C(N4CCC(N5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)C=C3)CC2)C=C1Cl", "label": 0}, "4347": {"pro_comp_id": 2515, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_290_lig_smina_out.mol2", "protac_path": "2515_protac.mol2", "smiles": "N#CC1=CC=C(O[C@H]2CCC[C@@H](NC(=O)C3=CC=C(N4CCC(N5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)C=C3)CCC2)C=C1Cl", "label": 0}, "4348": {"pro_comp_id": 2516, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_291_lig_smina_out.mol2", "protac_path": "2516_protac.mol2", "smiles": "N#CC1=CC=C(OC2CCN(C(=O)C3=CC=C(N4CCC(N5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)C=C3)CC2)C=C1Cl", "label": 0}, "4349": {"pro_comp_id": 2517, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_292_lig_smina_out.mol2", "protac_path": "2517_protac.mol2", "smiles": "N#CC1=CC=C(OC2CCCN(C(=O)C3=CC=C(N4CCC(N5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)C=C3)CC2)C=C1Cl", "label": 0}, "4350": {"pro_comp_id": 2518, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_293_lig_smina_out.mol2", "protac_path": "2518_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](NC(=O)C3=CC=C(N4CCC(N5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)C=C3)CC2)C=C1Cl", "label": 0}, "4351": {"pro_comp_id": 2519, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_294_lig_smina_out.mol2", "protac_path": "2519_protac.mol2", "smiles": "CN(C1=CC=C(C#N)C(Cl)=C1)[C@H]1CC[C@H](NC(=O)C2=CC=C(N3CCC(N4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C=C2)CC1", "label": 1}, "4352": {"pro_comp_id": 2519, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_294_lig_smina_out.mol2", "protac_path": "2519_protac.mol2", "smiles": "CN(C1=CC=C(C#N)C(Cl)=C1)[C@H]1CC[C@H](NC(=O)C2=CC=C(N3CCC(N4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C=C2)CC1", "label": 1}, "4353": {"pro_comp_id": 2520, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_295_lig_smina_out.mol2", "protac_path": "2520_protac.mol2", "smiles": "CCN(C1=CC=C(C#N)C(Cl)=C1)[C@H]1CC[C@H](NC(=O)C2=CC=C(N3CCC(N4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C=C2)CC1", "label": 1}, "4354": {"pro_comp_id": 2521, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_296_lig_smina_out.mol2", "protac_path": "2521_protac.mol2", "smiles": "CCCN(C1=CC=C(C#N)C(Cl)=C1)[C@H]1CC[C@H](NC(=O)C2=CC=C(N3CCC(N4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C=C2)CC1", "label": 1}, "4355": {"pro_comp_id": 2522, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_294_lig_smina_out.mol2", "protac_path": "2522_protac.mol2", "smiles": "CN(C1=CC=C(C#N)C(Cl)=C1)[C@H]1CC[C@H](NC(=O)C2=CC=C(N3CCN(CC4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C=C2)CC1", "label": 1}, "4356": {"pro_comp_id": 2523, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_294_lig_smina_out.mol2", "protac_path": "2523_protac.mol2", "smiles": "CN(C1=CC=C(C#N)C(Cl)=C1)[C@H]1CC[C@H](NC(=O)C2=CC=C(N3CCC(CN4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C=C2)CC1", "label": 1}, "4357": {"pro_comp_id": 2524, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_294_lig_smina_out.mol2", "protac_path": "2524_protac.mol2", "smiles": "CN(C1=CC=C(C#N)C(Cl)=C1)[C@H]1CC[C@H](NC(=O)C2=CC=C(N3CCN(C4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C=C2)CC1", "label": 1}, "4358": {"pro_comp_id": 2524, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_294_lig_smina_out.mol2", "protac_path": "2524_protac.mol2", "smiles": "CN(C1=CC=C(C#N)C(Cl)=C1)[C@H]1CC[C@H](NC(=O)C2=CC=C(N3CCN(C4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C=C2)CC1", "label": 1}, "4359": {"pro_comp_id": 2525, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_294_lig_smina_out.mol2", "protac_path": "2525_protac.mol2", "smiles": "CN(C1=CC=C(C#N)C(Cl)=C1)[C@H]1CC[C@H](NC(=O)C2=CC=C(N3CCN(CC4CN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)C4)CC3)C=C2)CC1", "label": 1}, "4360": {"pro_comp_id": 2525, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_294_lig_smina_out.mol2", "protac_path": "2525_protac.mol2", "smiles": "CN(C1=CC=C(C#N)C(Cl)=C1)[C@H]1CC[C@H](NC(=O)C2=CC=C(N3CCN(CC4CN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)C4)CC3)C=C2)CC1", "label": 1}, "4361": {"pro_comp_id": 2526, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_294_lig_smina_out.mol2", "protac_path": "2526_protac.mol2", "smiles": "CN(C1=CC=C(C#N)C(Cl)=C1)[C@H]1CC[C@H](NC(=O)C2=CC=C(N3CCN(C4CN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)C4)CC3)C=C2)CC1", "label": 1}, "4362": {"pro_comp_id": 2526, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_294_lig_smina_out.mol2", "protac_path": "2526_protac.mol2", "smiles": "CN(C1=CC=C(C#N)C(Cl)=C1)[C@H]1CC[C@H](NC(=O)C2=CC=C(N3CCN(C4CN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)C4)CC3)C=C2)CC1", "label": 1}, "4363": {"pro_comp_id": 2527, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_294_lig_smina_out.mol2", "protac_path": "2527_protac.mol2", "smiles": "CN(C1=CC=C(C#N)C(Cl)=C1)[C@H]1CC[C@H](NC(=O)C2=CC=C(N3CC(CN4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C3)C=C2)CC1", "label": 1}, "4364": {"pro_comp_id": 2527, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_294_lig_smina_out.mol2", "protac_path": "2527_protac.mol2", "smiles": "CN(C1=CC=C(C#N)C(Cl)=C1)[C@H]1CC[C@H](NC(=O)C2=CC=C(N3CC(CN4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C3)C=C2)CC1", "label": 1}, "4365": {"pro_comp_id": 2528, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_294_lig_smina_out.mol2", "protac_path": "2528_protac.mol2", "smiles": "CN(C1=CC=C(C#N)C(Cl)=C1)[C@H]1CC[C@H](NC(=O)C2=CC=C(N3CC(N4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C3)C=C2)CC1", "label": 1}, "4366": {"pro_comp_id": 2528, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_294_lig_smina_out.mol2", "protac_path": "2528_protac.mol2", "smiles": "CN(C1=CC=C(C#N)C(Cl)=C1)[C@H]1CC[C@H](NC(=O)C2=CC=C(N3CC(N4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C3)C=C2)CC1", "label": 0}, "4367": {"pro_comp_id": 2529, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_13_lig_smina_out.mol2", "protac_path": "2529_protac.mol2", "smiles": "CC(O)(CS(=O)(=O)C1=CC=C(N2CCN(C3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)CC2)C=C1)C(=O)NC1=CC=C(C#N)C(C(F)(F)F)=C1", "label": 0}, "4368": {"pro_comp_id": 2530, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "2530_protac.mol2", "smiles": "CC1(C)C(=O)N(C2=CC=C(C#N)C(C(F)(F)F)=C2)C(=S)N1C1=CC=C(C(=O)N2CCN(C3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)CC2)C(F)=C1", "label": 0}, "4369": {"pro_comp_id": 2531, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_12_lig_smina_out.mol2", "protac_path": "2531_protac.mol2", "smiles": "N#CC1=NC=C(N2C(=O)C3(CCC3)N(C3=CC=C(C(=O)N4CCN(C5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)C(F)=C3)C2=S)C=C1C(F)(F)F", "label": 0}, "4370": {"pro_comp_id": 2532, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_270_lig_smina_out.mol2", "protac_path": "2532_protac.mol2", "smiles": "CCC1=CC2=C(C=C1N1CCN(C3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1", "label": 0}, "4371": {"pro_comp_id": 2533, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_270_lig_smina_out.mol2", "protac_path": "2533_protac.mol2", "smiles": "CCC1=CC2=C(C=C1N1CCN(CC(=O)NCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1", "label": 0}, "4372": {"pro_comp_id": 2534, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_270_lig_smina_out.mol2", "protac_path": "2534_protac.mol2", "smiles": "CCC1=CC2=C(C=C1N1CCN(CC(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1", "label": 0}, "4373": {"pro_comp_id": 2535, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_270_lig_smina_out.mol2", "protac_path": "2535_protac.mol2", "smiles": "CCC1=CC2=C(C=C1N1CCN(CC(=O)NCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1", "label": 0}, "4374": {"pro_comp_id": 2536, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_270_lig_smina_out.mol2", "protac_path": "2536_protac.mol2", "smiles": "CCC1=CC2=C(C=C1N1CCC(N3CCN(C4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1", "label": 0}, "4375": {"pro_comp_id": 2537, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_270_lig_smina_out.mol2", "protac_path": "2537_protac.mol2", "smiles": "CCC1=CC2=C(C=C1N1CCC(N3CCN(CC(=O)NCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1", "label": 0}, "4376": {"pro_comp_id": 2538, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_270_lig_smina_out.mol2", "protac_path": "2538_protac.mol2", "smiles": "CCC1=CC2=C(C=C1N1CCC(N3CCN(CC(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1", "label": 0}, "4377": {"pro_comp_id": 2539, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_270_lig_smina_out.mol2", "protac_path": "2539_protac.mol2", "smiles": "CCC1=CC2=C(C=C1N1CCC(N3CCN(CC(=O)NCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1", "label": 0}, "4378": {"pro_comp_id": 2540, "tar_path": "HPGDS_O60760.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HPGDS_O60760_262_lig_smina_out.mol2", "protac_path": "2540_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOCCC(=O)N4CCN(C(=O)C5CCN(C6=CC=C(NC(=O)C7=CN=C(OC8=CC=CC=C8)N=C7)C=C6)CC5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "4379": {"pro_comp_id": 2541, "tar_path": "HPGDS_O60760.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HPGDS_O60760_262_lig_smina_out.mol2", "protac_path": "2541_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCC(=O)N4CCN(C(=O)C5CCN(C6=CC=C(NC(=O)C7=CN=C(OC8=CC=CC=C8)N=C7)C=C6)CC5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "4380": {"pro_comp_id": 2542, "tar_path": "HPGDS_O60760.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HPGDS_O60760_262_lig_smina_out.mol2", "protac_path": "2542_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCC(=O)N4CCN(C(=O)C5CCN(C6=CC=C(NC(=O)C7=CN=C(OC8=CC=CC=C8)N=C7)C=C6)CC5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "4381": {"pro_comp_id": 2543, "tar_path": "HPGDS_O60760.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HPGDS_O60760_262_lig_smina_out.mol2", "protac_path": "2543_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCC(=O)N4CCN(C(=O)C5CCN(C6=CC=C(NC(=O)C7=CN=C(OC8=CC=CC=C8)N=C7)C=C6)CC5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "4382": {"pro_comp_id": 2544, "tar_path": "HPGDS_O60760.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HPGDS_O60760_262_lig_smina_out.mol2", "protac_path": "2544_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(N4CCN(C(=O)C5CCN(C6=CC=C(NC(=O)C7=CN=C(OC8=CC=CC=C8)N=C7)C=C6)CC5)CC4)=C3C2=O)C(=O)N1", "label": 1}, "4383": {"pro_comp_id": 2544, "tar_path": "HPGDS_O60760.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HPGDS_O60760_262_lig_smina_out.mol2", "protac_path": "2544_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(N4CCN(C(=O)C5CCN(C6=CC=C(NC(=O)C7=CN=C(OC8=CC=CC=C8)N=C7)C=C6)CC5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "4384": {"pro_comp_id": 2544, "tar_path": "HPGDS_O60760.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HPGDS_O60760_262_lig_smina_out.mol2", "protac_path": "2544_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(N4CCN(C(=O)C5CCN(C6=CC=C(NC(=O)C7=CN=C(OC8=CC=CC=C8)N=C7)C=C6)CC5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "4385": {"pro_comp_id": 2545, "tar_path": "HPGDS_O60760.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HPGDS_O60760_262_lig_smina_out.mol2", "protac_path": "2545_protac.mol2", "smiles": "CN1C(=O)CCC(N2C(=O)C3=CC=CC(N4CCN(C(=O)C5CCN(C6=CC=C(NC(=O)C7=CN=C(OC8=CC=CC=C8)N=C7)C=C6)CC5)CC4)=C3C2=O)C1=O", "label": 0}, "4386": {"pro_comp_id": 2546, "tar_path": "HPGDS_O60760.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HPGDS_O60760_262_lig_smina_out.mol2", "protac_path": "2546_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCNC(=O)C4CCN(C5=CC=C(NC(=O)C6=CN=C(OC7=CC=CC=C7)N=C6)C=C5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "4387": {"pro_comp_id": 2547, "tar_path": "HPGDS_O60760.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HPGDS_O60760_262_lig_smina_out.mol2", "protac_path": "2547_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CNC(=O)C3CCN(C4=CC=C(NC(=O)C5=CN=C(OC6=CC=CC=C6)N=C5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4388": {"pro_comp_id": 2548, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_104_lig_smina_out.mol2", "protac_path": "2548_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCNC(=O)CCNC[C@@H](C(=O)N3CCN(C4=NC=NC5=C4[C@H](C)C[C@H]5O)CC3)C3=CC=C(Cl)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4389": {"pro_comp_id": 2548, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_104_lig_smina_out.mol2", "protac_path": "2548_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCNC(=O)CCNC[C@@H](C(=O)N3CCN(C4=NC=NC5=C4[C@H](C)C[C@H]5O)CC3)C3=CC=C(Cl)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4390": {"pro_comp_id": 2548, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_104_lig_smina_out.mol2", "protac_path": "2548_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCNC(=O)CCNC[C@@H](C(=O)N3CCN(C4=NC=NC5=C4[C@H](C)C[C@H]5O)CC3)C3=CC=C(Cl)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4391": {"pro_comp_id": 2549, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_104_lig_smina_out.mol2", "protac_path": "2549_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCNC(=O)CCNC[C@@H](C(=O)N3CCN(C4=NC=NC5=C4[C@H](C)C[C@H]5O)CC3)C3=CC=C(Cl)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4392": {"pro_comp_id": 2549, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_104_lig_smina_out.mol2", "protac_path": "2549_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCNC(=O)CCNC[C@@H](C(=O)N3CCN(C4=NC=NC5=C4[C@H](C)C[C@H]5O)CC3)C3=CC=C(Cl)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4393": {"pro_comp_id": 2549, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_104_lig_smina_out.mol2", "protac_path": "2549_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCNC(=O)CCNC[C@@H](C(=O)N3CCN(C4=NC=NC5=C4[C@H](C)C[C@H]5O)CC3)C3=CC=C(Cl)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4394": {"pro_comp_id": 2550, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_104_lig_smina_out.mol2", "protac_path": "2550_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCNC(=O)CCNC[C@@H](C(=O)N3CCN(C4=NC=NC5=C4[C@H](C)C[C@H]5O)CC3)C3=CC=C(Cl)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4395": {"pro_comp_id": 2550, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_104_lig_smina_out.mol2", "protac_path": "2550_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCNC(=O)CCNC[C@@H](C(=O)N3CCN(C4=NC=NC5=C4[C@H](C)C[C@H]5O)CC3)C3=CC=C(Cl)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4396": {"pro_comp_id": 2550, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_104_lig_smina_out.mol2", "protac_path": "2550_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCNC(=O)CCNC[C@@H](C(=O)N3CCN(C4=NC=NC5=C4[C@H](C)C[C@H]5O)CC3)C3=CC=C(Cl)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4397": {"pro_comp_id": 2551, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_104_lig_smina_out.mol2", "protac_path": "2551_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCNC(=O)CCNC[C@@H](C(=O)N3CCN(C4=NC=NC5=C4[C@H](C)C[C@H]5O)CC3)C3=CC=C(Cl)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4398": {"pro_comp_id": 2551, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_104_lig_smina_out.mol2", "protac_path": "2551_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCNC(=O)CCNC[C@@H](C(=O)N3CCN(C4=NC=NC5=C4[C@H](C)C[C@H]5O)CC3)C3=CC=C(Cl)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4399": {"pro_comp_id": 2551, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_104_lig_smina_out.mol2", "protac_path": "2551_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCNC(=O)CCNC[C@@H](C(=O)N3CCN(C4=NC=NC5=C4[C@H](C)C[C@H]5O)CC3)C3=CC=C(Cl)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4400": {"pro_comp_id": 2552, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_104_lig_smina_out.mol2", "protac_path": "2552_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCNC(=O)CCNC[C@@H](C(=O)N3CCN(C4=NC=NC5=C4[C@H](C)C[C@H]5O)CC3)C3=CC=C(Cl)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4401": {"pro_comp_id": 2552, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_104_lig_smina_out.mol2", "protac_path": "2552_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCNC(=O)CCNC[C@@H](C(=O)N3CCN(C4=NC=NC5=C4[C@H](C)C[C@H]5O)CC3)C3=CC=C(Cl)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4402": {"pro_comp_id": 2552, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_104_lig_smina_out.mol2", "protac_path": "2552_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCNC(=O)CCNC[C@@H](C(=O)N3CCN(C4=NC=NC5=C4[C@H](C)C[C@H]5O)CC3)C3=CC=C(Cl)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4403": {"pro_comp_id": 2553, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_104_lig_smina_out.mol2", "protac_path": "2553_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCNC(=O)CCNC[C@@H](C(=O)N3CCN(C4=NC=NC5=C4[C@H](C)C[C@H]5O)CC3)C3=CC=C(Cl)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4404": {"pro_comp_id": 2553, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_104_lig_smina_out.mol2", "protac_path": "2553_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCNC(=O)CCNC[C@@H](C(=O)N3CCN(C4=NC=NC5=C4[C@H](C)C[C@H]5O)CC3)C3=CC=C(Cl)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4405": {"pro_comp_id": 2553, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_104_lig_smina_out.mol2", "protac_path": "2553_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCNC(=O)CCNC[C@@H](C(=O)N3CCN(C4=NC=NC5=C4[C@H](C)C[C@H]5O)CC3)C3=CC=C(Cl)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4406": {"pro_comp_id": 2554, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_104_lig_smina_out.mol2", "protac_path": "2554_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCNC(=O)CCNC[C@@H](C(=O)N3CCN(C4=NC=NC5=C4[C@H](C)C[C@H]5O)CC3)C3=CC=C(Cl)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4407": {"pro_comp_id": 2554, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_104_lig_smina_out.mol2", "protac_path": "2554_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCNC(=O)CCNC[C@@H](C(=O)N3CCN(C4=NC=NC5=C4[C@H](C)C[C@H]5O)CC3)C3=CC=C(Cl)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4408": {"pro_comp_id": 2554, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_104_lig_smina_out.mol2", "protac_path": "2554_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCNC(=O)CCNC[C@@H](C(=O)N3CCN(C4=NC=NC5=C4[C@H](C)C[C@H]5O)CC3)C3=CC=C(Cl)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4409": {"pro_comp_id": 2555, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_104_lig_smina_out.mol2", "protac_path": "2555_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCNC(=O)CCNC[C@@H](C(=O)N3CCN(C4=NC=NC5=C4[C@H](C)C[C@H]5O)CC3)C3=CC=C(Cl)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4410": {"pro_comp_id": 2555, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_104_lig_smina_out.mol2", "protac_path": "2555_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCNC(=O)CCNC[C@@H](C(=O)N3CCN(C4=NC=NC5=C4[C@H](C)C[C@H]5O)CC3)C3=CC=C(Cl)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4411": {"pro_comp_id": 2555, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_104_lig_smina_out.mol2", "protac_path": "2555_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCNC(=O)CCNC[C@@H](C(=O)N3CCN(C4=NC=NC5=C4[C@H](C)C[C@H]5O)CC3)C3=CC=C(Cl)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4412": {"pro_comp_id": 2556, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_104_lig_smina_out.mol2", "protac_path": "2556_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNC(=O)CCNC[C@@H](C(=O)N3CCN(C4=NC=NC5=C4[C@H](C)C[C@H]5O)CC3)C3=CC=C(Cl)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4413": {"pro_comp_id": 2556, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_104_lig_smina_out.mol2", "protac_path": "2556_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNC(=O)CCNC[C@@H](C(=O)N3CCN(C4=NC=NC5=C4[C@H](C)C[C@H]5O)CC3)C3=CC=C(Cl)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4414": {"pro_comp_id": 2556, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_104_lig_smina_out.mol2", "protac_path": "2556_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNC(=O)CCNC[C@@H](C(=O)N3CCN(C4=NC=NC5=C4[C@H](C)C[C@H]5O)CC3)C3=CC=C(Cl)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4415": {"pro_comp_id": 2557, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AKT1_P31749_104_lig_smina_out.mol2", "protac_path": "2557_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNC(=O)CCNC[C@@H](C(=O)N3CCN(C4=NC=NC5=C4[C@H](C)C[C@H]5O)CC3)C3=CC=C(Cl)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4416": {"pro_comp_id": 2557, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AKT2_P31751_104_lig_smina_out.mol2", "protac_path": "2557_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNC(=O)CCNC[C@@H](C(=O)N3CCN(C4=NC=NC5=C4[C@H](C)C[C@H]5O)CC3)C3=CC=C(Cl)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4417": {"pro_comp_id": 2557, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_104_lig_smina_out.mol2", "protac_path": "2557_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNC(=O)CCNC[C@@H](C(=O)N3CCN(C4=NC=NC5=C4[C@H](C)C[C@H]5O)CC3)C3=CC=C(Cl)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4418": {"pro_comp_id": 2558, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AKT2_P31751_104_lig_smina_out.mol2", "protac_path": "2558_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCC(=O)NCCNC[C@@H](C(=O)N3CCN(C4=NC=NC5=C4[C@H](C)C[C@H]5O)CC3)C3=CC=C(Cl)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "4419": {"pro_comp_id": 2558, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AKT1_P31749_104_lig_smina_out.mol2", "protac_path": "2558_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCC(=O)NCCNC[C@@H](C(=O)N3CCN(C4=NC=NC5=C4[C@H](C)C[C@H]5O)CC3)C3=CC=C(Cl)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "4420": {"pro_comp_id": 2558, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_104_lig_smina_out.mol2", "protac_path": "2558_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCC(=O)NCCNC[C@@H](C(=O)N3CCN(C4=NC=NC5=C4[C@H](C)C[C@H]5O)CC3)C3=CC=C(Cl)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "4421": {"pro_comp_id": 2559, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_104_lig_smina_out.mol2", "protac_path": "2559_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCC(=O)NCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "4422": {"pro_comp_id": 2559, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT2_P31751_104_lig_smina_out.mol2", "protac_path": "2559_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCC(=O)NCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "4423": {"pro_comp_id": 2559, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_104_lig_smina_out.mol2", "protac_path": "2559_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCC(=O)NCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "4424": {"pro_comp_id": 2560, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_104_lig_smina_out.mol2", "protac_path": "2560_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCC(=O)NCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "4425": {"pro_comp_id": 2560, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT2_P31751_104_lig_smina_out.mol2", "protac_path": "2560_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCC(=O)NCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "4426": {"pro_comp_id": 2560, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_104_lig_smina_out.mol2", "protac_path": "2560_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCC(=O)NCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "4427": {"pro_comp_id": 2561, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_104_lig_smina_out.mol2", "protac_path": "2561_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCC(=O)NCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "4428": {"pro_comp_id": 2561, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT2_P31751_104_lig_smina_out.mol2", "protac_path": "2561_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCC(=O)NCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "4429": {"pro_comp_id": 2561, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_104_lig_smina_out.mol2", "protac_path": "2561_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCC(=O)NCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "4430": {"pro_comp_id": 2562, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_104_lig_smina_out.mol2", "protac_path": "2562_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCC(=O)NCCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "4431": {"pro_comp_id": 2562, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT2_P31751_104_lig_smina_out.mol2", "protac_path": "2562_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCC(=O)NCCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "4432": {"pro_comp_id": 2562, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_104_lig_smina_out.mol2", "protac_path": "2562_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCC(=O)NCCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "4433": {"pro_comp_id": 2563, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_104_lig_smina_out.mol2", "protac_path": "2563_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCC(=O)NCCOCCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "4434": {"pro_comp_id": 2563, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT2_P31751_104_lig_smina_out.mol2", "protac_path": "2563_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCC(=O)NCCOCCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "4435": {"pro_comp_id": 2563, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_104_lig_smina_out.mol2", "protac_path": "2563_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCC(=O)NCCOCCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "4436": {"pro_comp_id": 2564, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_104_lig_smina_out.mol2", "protac_path": "2564_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCC(=O)NCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "4437": {"pro_comp_id": 2564, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT2_P31751_104_lig_smina_out.mol2", "protac_path": "2564_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCC(=O)NCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "4438": {"pro_comp_id": 2564, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_104_lig_smina_out.mol2", "protac_path": "2564_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCC(=O)NCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "4439": {"pro_comp_id": 2565, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_104_lig_smina_out.mol2", "protac_path": "2565_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCC(=O)NCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "4440": {"pro_comp_id": 2565, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT2_P31751_104_lig_smina_out.mol2", "protac_path": "2565_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCC(=O)NCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "4441": {"pro_comp_id": 2565, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_104_lig_smina_out.mol2", "protac_path": "2565_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCC(=O)NCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "4442": {"pro_comp_id": 2566, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_104_lig_smina_out.mol2", "protac_path": "2566_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCC(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "4443": {"pro_comp_id": 2566, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT2_P31751_104_lig_smina_out.mol2", "protac_path": "2566_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCC(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "4444": {"pro_comp_id": 2566, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_104_lig_smina_out.mol2", "protac_path": "2566_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCC(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "4445": {"pro_comp_id": 2567, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_104_lig_smina_out.mol2", "protac_path": "2567_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCC(=O)NCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "4446": {"pro_comp_id": 2567, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT2_P31751_104_lig_smina_out.mol2", "protac_path": "2567_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCC(=O)NCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "4447": {"pro_comp_id": 2567, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_104_lig_smina_out.mol2", "protac_path": "2567_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCC(=O)NCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "4448": {"pro_comp_id": 2568, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_104_lig_smina_out.mol2", "protac_path": "2568_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCC(=O)NCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "4449": {"pro_comp_id": 2568, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT2_P31751_104_lig_smina_out.mol2", "protac_path": "2568_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCC(=O)NCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "4450": {"pro_comp_id": 2568, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_104_lig_smina_out.mol2", "protac_path": "2568_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCC(=O)NCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "4451": {"pro_comp_id": 2569, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_104_lig_smina_out.mol2", "protac_path": "2569_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCC(=O)NCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "4452": {"pro_comp_id": 2569, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT2_P31751_104_lig_smina_out.mol2", "protac_path": "2569_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCC(=O)NCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "4453": {"pro_comp_id": 2569, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_104_lig_smina_out.mol2", "protac_path": "2569_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCC(=O)NCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "4454": {"pro_comp_id": 2570, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT2_P31751_104_lig_smina_out.mol2", "protac_path": "2570_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCC(=O)NCCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": 1}, "4455": {"pro_comp_id": 2570, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_104_lig_smina_out.mol2", "protac_path": "2570_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCC(=O)NCCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": 1}, "4456": {"pro_comp_id": 2570, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_104_lig_smina_out.mol2", "protac_path": "2570_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCC(=O)NCCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": 1}, "4457": {"pro_comp_id": 2571, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_104_lig_smina_out.mol2", "protac_path": "2571_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCNC(=O)CCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "4458": {"pro_comp_id": 2571, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT2_P31751_104_lig_smina_out.mol2", "protac_path": "2571_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCNC(=O)CCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "4459": {"pro_comp_id": 2571, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_104_lig_smina_out.mol2", "protac_path": "2571_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCNC(=O)CCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "4460": {"pro_comp_id": 2572, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AKT1_P31749_104_lig_smina_out.mol2", "protac_path": "2572_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCC(=O)NCCCCCCCCCC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "4461": {"pro_comp_id": 2572, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AKT2_P31751_104_lig_smina_out.mol2", "protac_path": "2572_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCC(=O)NCCCCCCCCCC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "4462": {"pro_comp_id": 2572, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_104_lig_smina_out.mol2", "protac_path": "2572_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCC(=O)NCCCCCCCCCC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "4463": {"pro_comp_id": 2573, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "AKT1_P31749_104_lig_smina_out.mol2", "protac_path": "2573_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCC(=O)NCCCCCCCCNC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "4464": {"pro_comp_id": 2573, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "AKT2_P31751_104_lig_smina_out.mol2", "protac_path": "2573_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCC(=O)NCCCCCCCCNC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "4465": {"pro_comp_id": 2573, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_104_lig_smina_out.mol2", "protac_path": "2573_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCC(=O)NCCCCCCCCNC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "4466": {"pro_comp_id": 2574, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AKT1_P31749_104_lig_smina_out.mol2", "protac_path": "2574_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCC(=O)NCCCCCCCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "4467": {"pro_comp_id": 2574, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AKT2_P31751_104_lig_smina_out.mol2", "protac_path": "2574_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCC(=O)NCCCCCCCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "4468": {"pro_comp_id": 2574, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_104_lig_smina_out.mol2", "protac_path": "2574_protac.mol2", "smiles": "C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCC(=O)NCCCCCCCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21", "label": -1}, "4469": {"pro_comp_id": 2575, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_297_lig_smina_out.mol2", "protac_path": "2575_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4470": {"pro_comp_id": 2575, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_297_lig_smina_out.mol2", "protac_path": "2575_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4471": {"pro_comp_id": 2575, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_297_lig_smina_out.mol2", "protac_path": "2575_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4472": {"pro_comp_id": 2576, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_297_lig_smina_out.mol2", "protac_path": "2576_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4473": {"pro_comp_id": 2576, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_297_lig_smina_out.mol2", "protac_path": "2576_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4474": {"pro_comp_id": 2576, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_297_lig_smina_out.mol2", "protac_path": "2576_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4475": {"pro_comp_id": 2577, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_297_lig_smina_out.mol2", "protac_path": "2577_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4476": {"pro_comp_id": 2577, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_297_lig_smina_out.mol2", "protac_path": "2577_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4477": {"pro_comp_id": 2577, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_297_lig_smina_out.mol2", "protac_path": "2577_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4478": {"pro_comp_id": 2578, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_297_lig_smina_out.mol2", "protac_path": "2578_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCOCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4479": {"pro_comp_id": 2578, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_297_lig_smina_out.mol2", "protac_path": "2578_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCOCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4480": {"pro_comp_id": 2578, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_297_lig_smina_out.mol2", "protac_path": "2578_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCOCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4481": {"pro_comp_id": 2579, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_297_lig_smina_out.mol2", "protac_path": "2579_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4482": {"pro_comp_id": 2579, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_297_lig_smina_out.mol2", "protac_path": "2579_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4483": {"pro_comp_id": 2579, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_297_lig_smina_out.mol2", "protac_path": "2579_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4484": {"pro_comp_id": 2580, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_297_lig_smina_out.mol2", "protac_path": "2580_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCOCCOCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4485": {"pro_comp_id": 2580, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_297_lig_smina_out.mol2", "protac_path": "2580_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCOCCOCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4486": {"pro_comp_id": 2580, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_297_lig_smina_out.mol2", "protac_path": "2580_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCOCCOCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4487": {"pro_comp_id": 2581, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_297_lig_smina_out.mol2", "protac_path": "2581_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCOCCOCCOCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4488": {"pro_comp_id": 2581, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_297_lig_smina_out.mol2", "protac_path": "2581_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCOCCOCCOCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4489": {"pro_comp_id": 2581, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_297_lig_smina_out.mol2", "protac_path": "2581_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCOCCOCCOCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4490": {"pro_comp_id": 2582, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_297_lig_smina_out.mol2", "protac_path": "2582_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCOCCOCCOCCOCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4491": {"pro_comp_id": 2582, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_297_lig_smina_out.mol2", "protac_path": "2582_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCOCCOCCOCCOCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4492": {"pro_comp_id": 2582, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_297_lig_smina_out.mol2", "protac_path": "2582_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCOCCOCCOCCOCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4493": {"pro_comp_id": 2583, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_297_lig_smina_out.mol2", "protac_path": "2583_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4494": {"pro_comp_id": 2583, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_297_lig_smina_out.mol2", "protac_path": "2583_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4495": {"pro_comp_id": 2583, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_297_lig_smina_out.mol2", "protac_path": "2583_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4496": {"pro_comp_id": 2584, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_297_lig_smina_out.mol2", "protac_path": "2584_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4497": {"pro_comp_id": 2584, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_297_lig_smina_out.mol2", "protac_path": "2584_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4498": {"pro_comp_id": 2584, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_297_lig_smina_out.mol2", "protac_path": "2584_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4499": {"pro_comp_id": 2585, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_297_lig_smina_out.mol2", "protac_path": "2585_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4500": {"pro_comp_id": 2585, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_297_lig_smina_out.mol2", "protac_path": "2585_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4501": {"pro_comp_id": 2585, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_297_lig_smina_out.mol2", "protac_path": "2585_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4502": {"pro_comp_id": 2586, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_297_lig_smina_out.mol2", "protac_path": "2586_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4503": {"pro_comp_id": 2586, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_297_lig_smina_out.mol2", "protac_path": "2586_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4504": {"pro_comp_id": 2586, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_297_lig_smina_out.mol2", "protac_path": "2586_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4505": {"pro_comp_id": 2587, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_297_lig_smina_out.mol2", "protac_path": "2587_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4506": {"pro_comp_id": 2587, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_297_lig_smina_out.mol2", "protac_path": "2587_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4507": {"pro_comp_id": 2587, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_297_lig_smina_out.mol2", "protac_path": "2587_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4508": {"pro_comp_id": 2588, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_297_lig_smina_out.mol2", "protac_path": "2588_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4509": {"pro_comp_id": 2588, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_297_lig_smina_out.mol2", "protac_path": "2588_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4510": {"pro_comp_id": 2588, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_297_lig_smina_out.mol2", "protac_path": "2588_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4511": {"pro_comp_id": 2589, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_297_lig_smina_out.mol2", "protac_path": "2589_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4512": {"pro_comp_id": 2589, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_297_lig_smina_out.mol2", "protac_path": "2589_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4513": {"pro_comp_id": 2589, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_297_lig_smina_out.mol2", "protac_path": "2589_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4514": {"pro_comp_id": 2590, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_297_lig_smina_out.mol2", "protac_path": "2590_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4515": {"pro_comp_id": 2590, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_297_lig_smina_out.mol2", "protac_path": "2590_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4516": {"pro_comp_id": 2590, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_297_lig_smina_out.mol2", "protac_path": "2590_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4517": {"pro_comp_id": 2591, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_297_lig_smina_out.mol2", "protac_path": "2591_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4518": {"pro_comp_id": 2591, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_297_lig_smina_out.mol2", "protac_path": "2591_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4519": {"pro_comp_id": 2591, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_297_lig_smina_out.mol2", "protac_path": "2591_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4520": {"pro_comp_id": 2592, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_297_lig_smina_out.mol2", "protac_path": "2592_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4521": {"pro_comp_id": 2592, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_297_lig_smina_out.mol2", "protac_path": "2592_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4522": {"pro_comp_id": 2592, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_297_lig_smina_out.mol2", "protac_path": "2592_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C21", "label": -1}, "4523": {"pro_comp_id": 2593, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_297_lig_smina_out.mol2", "protac_path": "2593_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C21", "label": -1}, "4524": {"pro_comp_id": 2593, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT2_P31751_297_lig_smina_out.mol2", "protac_path": "2593_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C21", "label": -1}, "4525": {"pro_comp_id": 2593, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_297_lig_smina_out.mol2", "protac_path": "2593_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C21", "label": -1}, "4526": {"pro_comp_id": 2594, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_297_lig_smina_out.mol2", "protac_path": "2594_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C21", "label": -1}, "4527": {"pro_comp_id": 2594, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT2_P31751_297_lig_smina_out.mol2", "protac_path": "2594_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C21", "label": -1}, "4528": {"pro_comp_id": 2594, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_297_lig_smina_out.mol2", "protac_path": "2594_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C21", "label": -1}, "4529": {"pro_comp_id": 2595, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_297_lig_smina_out.mol2", "protac_path": "2595_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C21", "label": -1}, "4530": {"pro_comp_id": 2595, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT2_P31751_297_lig_smina_out.mol2", "protac_path": "2595_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C21", "label": -1}, "4531": {"pro_comp_id": 2595, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_297_lig_smina_out.mol2", "protac_path": "2595_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C21", "label": -1}, "4532": {"pro_comp_id": 2596, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_297_lig_smina_out.mol2", "protac_path": "2596_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C21", "label": -1}, "4533": {"pro_comp_id": 2596, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT2_P31751_297_lig_smina_out.mol2", "protac_path": "2596_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C21", "label": -1}, "4534": {"pro_comp_id": 2596, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_297_lig_smina_out.mol2", "protac_path": "2596_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C21", "label": -1}, "4535": {"pro_comp_id": 2597, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_297_lig_smina_out.mol2", "protac_path": "2597_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCOCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C21", "label": -1}, "4536": {"pro_comp_id": 2597, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT2_P31751_297_lig_smina_out.mol2", "protac_path": "2597_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCOCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C21", "label": -1}, "4537": {"pro_comp_id": 2597, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_297_lig_smina_out.mol2", "protac_path": "2597_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCOCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C21", "label": -1}, "4538": {"pro_comp_id": 2598, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_297_lig_smina_out.mol2", "protac_path": "2598_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C21", "label": -1}, "4539": {"pro_comp_id": 2598, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT2_P31751_297_lig_smina_out.mol2", "protac_path": "2598_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C21", "label": -1}, "4540": {"pro_comp_id": 2598, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_297_lig_smina_out.mol2", "protac_path": "2598_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C21", "label": -1}, "4541": {"pro_comp_id": 2599, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_297_lig_smina_out.mol2", "protac_path": "2599_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C21", "label": -1}, "4542": {"pro_comp_id": 2599, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT2_P31751_297_lig_smina_out.mol2", "protac_path": "2599_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C21", "label": -1}, "4543": {"pro_comp_id": 2599, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_297_lig_smina_out.mol2", "protac_path": "2599_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C21", "label": -1}, "4544": {"pro_comp_id": 2600, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_297_lig_smina_out.mol2", "protac_path": "2600_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C21", "label": -1}, "4545": {"pro_comp_id": 2600, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT2_P31751_297_lig_smina_out.mol2", "protac_path": "2600_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C21", "label": -1}, "4546": {"pro_comp_id": 2600, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_297_lig_smina_out.mol2", "protac_path": "2600_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C21", "label": -1}, "4547": {"pro_comp_id": 2601, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_297_lig_smina_out.mol2", "protac_path": "2601_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C21", "label": -1}, "4548": {"pro_comp_id": 2601, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT2_P31751_297_lig_smina_out.mol2", "protac_path": "2601_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C21", "label": -1}, "4549": {"pro_comp_id": 2601, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_297_lig_smina_out.mol2", "protac_path": "2601_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C21", "label": -1}, "4550": {"pro_comp_id": 2602, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_297_lig_smina_out.mol2", "protac_path": "2602_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C21", "label": -1}, "4551": {"pro_comp_id": 2602, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT2_P31751_297_lig_smina_out.mol2", "protac_path": "2602_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C21", "label": -1}, "4552": {"pro_comp_id": 2602, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_297_lig_smina_out.mol2", "protac_path": "2602_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C21", "label": -1}, "4553": {"pro_comp_id": 2603, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_297_lig_smina_out.mol2", "protac_path": "2603_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C21", "label": -1}, "4554": {"pro_comp_id": 2603, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT2_P31751_297_lig_smina_out.mol2", "protac_path": "2603_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C21", "label": -1}, "4555": {"pro_comp_id": 2603, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_297_lig_smina_out.mol2", "protac_path": "2603_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C21", "label": -1}, "4556": {"pro_comp_id": 2604, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_297_lig_smina_out.mol2", "protac_path": "2604_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C21", "label": -1}, "4557": {"pro_comp_id": 2604, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT2_P31751_297_lig_smina_out.mol2", "protac_path": "2604_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C21", "label": -1}, "4558": {"pro_comp_id": 2604, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_297_lig_smina_out.mol2", "protac_path": "2604_protac.mol2", "smiles": "CCN1C(C2=NON=C2N)=NC2=C(C#CC(C)(C)O)N=CC(OCCCNCCCC(=O)NCCCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C21", "label": -1}, "4559": {"pro_comp_id": 2605, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_133_lig_smina_out.mol2", "protac_path": "2605_protac.mol2", "smiles": "COC1=CC(N(C)CCN(C)C)=C(NC(=O)/C=C/CN(C)CCN(C)C(=O)CCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)C=C1NC1=NC=CC(C2=CN(C)C3=CC=CC=C23)=N1", "label": 0}, "4560": {"pro_comp_id": 2605, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_133_lig_smina_out.mol2", "protac_path": "2605_protac.mol2", "smiles": "COC1=CC(N(C)CCN(C)C)=C(NC(=O)/C=C/CN(C)CCN(C)C(=O)CCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)C=C1NC1=NC=CC(C2=CN(C)C3=CC=CC=C23)=N1", "label": -1}, "4561": {"pro_comp_id": 2606, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_133_lig_smina_out.mol2", "protac_path": "2606_protac.mol2", "smiles": "COC1=CC(N(C)CCN(C)C)=C(NC(=O)/C=C/CN(C)CCN(C)C(=O)CCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)C=C1NC1=NC=CC(C2=CN(C)C3=CC=CC=C23)=N1", "label": 0}, "4562": {"pro_comp_id": 2606, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_133_lig_smina_out.mol2", "protac_path": "2606_protac.mol2", "smiles": "COC1=CC(N(C)CCN(C)C)=C(NC(=O)/C=C/CN(C)CCN(C)C(=O)CCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)C=C1NC1=NC=CC(C2=CN(C)C3=CC=CC=C23)=N1", "label": 0}, "4563": {"pro_comp_id": 2607, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_133_lig_smina_out.mol2", "protac_path": "2607_protac.mol2", "smiles": "COC1=CC(N(C)CCN(C)C)=C(NC(=O)/C=C/CN(C)CCN(C)C(=O)CCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)C=C1NC1=NC=CC(C2=CN(C)C3=CC=CC=C23)=N1", "label": 0}, "4564": {"pro_comp_id": 2607, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_133_lig_smina_out.mol2", "protac_path": "2607_protac.mol2", "smiles": "COC1=CC(N(C)CCN(C)C)=C(NC(=O)/C=C/CN(C)CCN(C)C(=O)CCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)C=C1NC1=NC=CC(C2=CN(C)C3=CC=CC=C23)=N1", "label": 0}, "4565": {"pro_comp_id": 2608, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_133_lig_smina_out.mol2", "protac_path": "2608_protac.mol2", "smiles": "COC1=CC(N(C)CCN(C)C)=C(NC(=O)/C=C/CN(C)CCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)C=C1NC1=NC=CC(C2=CN(C)C3=CC=CC=C23)=N1", "label": 0}, "4566": {"pro_comp_id": 2608, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_133_lig_smina_out.mol2", "protac_path": "2608_protac.mol2", "smiles": "COC1=CC(N(C)CCN(C)C)=C(NC(=O)/C=C/CN(C)CCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)C=C1NC1=NC=CC(C2=CN(C)C3=CC=CC=C23)=N1", "label": 0}, "4567": {"pro_comp_id": 2609, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_133_lig_smina_out.mol2", "protac_path": "2609_protac.mol2", "smiles": "COC1=CC(N(C)CCN(C)C)=C(NC(=O)/C=C/CN(C)CCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)C=C1NC1=NC=CC(C2=CN(C)C3=CC=CC=C23)=N1", "label": 0}, "4568": {"pro_comp_id": 2609, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_133_lig_smina_out.mol2", "protac_path": "2609_protac.mol2", "smiles": "COC1=CC(N(C)CCN(C)C)=C(NC(=O)/C=C/CN(C)CCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)C=C1NC1=NC=CC(C2=CN(C)C3=CC=CC=C23)=N1", "label": 0}, "4569": {"pro_comp_id": 2610, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_133_lig_smina_out.mol2", "protac_path": "2610_protac.mol2", "smiles": "C=CC(=O)NC1=CC(NC2=NC=CC(C3=CN(C)C4=CC=CC=C34)=N2)=C(OC)C=C1N(CCCCCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C)CCN(C)C", "label": 0}, "4570": {"pro_comp_id": 2610, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_133_lig_smina_out.mol2", "protac_path": "2610_protac.mol2", "smiles": "C=CC(=O)NC1=CC(NC2=NC=CC(C3=CN(C)C4=CC=CC=C34)=N2)=C(OC)C=C1N(CCCCCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C)CCN(C)C", "label": 0}, "4571": {"pro_comp_id": 2611, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_133_lig_smina_out.mol2", "protac_path": "2611_protac.mol2", "smiles": "C=CC(=O)NC1=CC(NC2=NC=CC(C3=CN(C)C4=CC=CC=C34)=N2)=C(OC)C=C1N(CCCCCCC(=O)NCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C)CCN(C)C", "label": 0}, "4572": {"pro_comp_id": 2611, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_133_lig_smina_out.mol2", "protac_path": "2611_protac.mol2", "smiles": "C=CC(=O)NC1=CC(NC2=NC=CC(C3=CN(C)C4=CC=CC=C34)=N2)=C(OC)C=C1N(CCCCCCC(=O)NCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C)CCN(C)C", "label": 0}, "4573": {"pro_comp_id": 2612, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_133_lig_smina_out.mol2", "protac_path": "2612_protac.mol2", "smiles": "C=CC(=O)NC1=CC(NC2=NC=CC(C3=CN(C)C4=CC=CC=C34)=N2)=C(OC)C=C1N(CCCCCCC(=O)NCCCCCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C)CCN(C)C", "label": 0}, "4574": {"pro_comp_id": 2612, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_133_lig_smina_out.mol2", "protac_path": "2612_protac.mol2", "smiles": "C=CC(=O)NC1=CC(NC2=NC=CC(C3=CN(C)C4=CC=CC=C34)=N2)=C(OC)C=C1N(CCCCCCC(=O)NCCCCCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C)CCN(C)C", "label": 0}, "4575": {"pro_comp_id": 2613, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_133_lig_smina_out.mol2", "protac_path": "2613_protac.mol2", "smiles": "C=CC(=O)NC1=CC(NC2=NC=CC(C3=CN(C)C4=CC=CC=C34)=N2)=C(OC)C=C1N(C)CCN(C)CCCCCCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C", "label": 0}, "4576": {"pro_comp_id": 2613, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_133_lig_smina_out.mol2", "protac_path": "2613_protac.mol2", "smiles": "C=CC(=O)NC1=CC(NC2=NC=CC(C3=CN(C)C4=CC=CC=C34)=N2)=C(OC)C=C1N(C)CCN(C)CCCCCCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C", "label": 0}, "4577": {"pro_comp_id": 2614, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_133_lig_smina_out.mol2", "protac_path": "2614_protac.mol2", "smiles": "C=CC(=O)NC1=CC(NC2=NC=CC(C3=CN(C)C4=CC=CC=C34)=N2)=C(OC)C=C1N(C)CCN(C)CC(=O)NCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C", "label": -1}, "4578": {"pro_comp_id": 2614, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_133_lig_smina_out.mol2", "protac_path": "2614_protac.mol2", "smiles": "C=CC(=O)NC1=CC(NC2=NC=CC(C3=CN(C)C4=CC=CC=C34)=N2)=C(OC)C=C1N(C)CCN(C)CC(=O)NCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C", "label": -1}, "4579": {"pro_comp_id": 2615, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_133_lig_smina_out.mol2", "protac_path": "2615_protac.mol2", "smiles": "COC1=CC(N2CCN(CC(=O)NCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=C(NC(=O)/C(C#N)=C/C2CC2)C=C1NC1=NC=CC(C2=CN(C)C3=CC=CC=C23)=N1", "label": -1}, "4580": {"pro_comp_id": 2615, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_133_lig_smina_out.mol2", "protac_path": "2615_protac.mol2", "smiles": "COC1=CC(N2CCN(CC(=O)NCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=C(NC(=O)/C(C#N)=C/C2CC2)C=C1NC1=NC=CC(C2=CN(C)C3=CC=CC=C23)=N1", "label": -1}, "4581": {"pro_comp_id": 2616, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_133_lig_smina_out.mol2", "protac_path": "2616_protac.mol2", "smiles": "COC1=CC(N2CCN(CC(=O)NCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=C(NC(=O)/C(C#N)=C/C2=CC=NC=C2)C=C1NC1=NC=CC(C2=CN(C)C3=CC=CC=C23)=N1", "label": -1}, "4582": {"pro_comp_id": 2616, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_133_lig_smina_out.mol2", "protac_path": "2616_protac.mol2", "smiles": "COC1=CC(N2CCN(CC(=O)NCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=C(NC(=O)/C(C#N)=C/C2=CC=NC=C2)C=C1NC1=NC=CC(C2=CN(C)C3=CC=CC=C23)=N1", "label": -1}, "4583": {"pro_comp_id": 2617, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_133_lig_smina_out.mol2", "protac_path": "2617_protac.mol2", "smiles": "COC1=CC(N2CCN(C)CC2)=C(NC(=O)/C(C#N)=C/C(C)(C)NC(=O)CCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)C=C1NC1=NC=CC(C2=CN(C)C3=CC=CC=C23)=N1", "label": -1}, "4584": {"pro_comp_id": 2617, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_133_lig_smina_out.mol2", "protac_path": "2617_protac.mol2", "smiles": "COC1=CC(N2CCN(C)CC2)=C(NC(=O)/C(C#N)=C/C(C)(C)NC(=O)CCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)C=C1NC1=NC=CC(C2=CN(C)C3=CC=CC=C23)=N1", "label": -1}, "4585": {"pro_comp_id": 2618, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_133_lig_smina_out.mol2", "protac_path": "2618_protac.mol2", "smiles": "COC1=CC(N(C)CCN(C)C)=C(NC(=O)/C(C#N)=C/C(C)(C)NC(=O)CCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)C=C1NC1=NC=CC(C2=CN(C)C3=CC=CC=C23)=N1", "label": 0}, "4586": {"pro_comp_id": 2618, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_133_lig_smina_out.mol2", "protac_path": "2618_protac.mol2", "smiles": "COC1=CC(N(C)CCN(C)C)=C(NC(=O)/C(C#N)=C/C(C)(C)NC(=O)CCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)C=C1NC1=NC=CC(C2=CN(C)C3=CC=CC=C23)=N1", "label": 0}, "4587": {"pro_comp_id": 2619, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_298_lig_smina_out.mol2", "protac_path": "2619_protac.mol2", "smiles": "C=CC(=O)N1CC[C@H](N2C(NC3=CC=CC=C3)=NC3=CN=C(NC4=CC=C(N5CCN(CCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4)N=C32)C1", "label": 0}, "4588": {"pro_comp_id": 2619, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_298_lig_smina_out.mol2", "protac_path": "2619_protac.mol2", "smiles": "C=CC(=O)N1CC[C@H](N2C(NC3=CC=CC=C3)=NC3=CN=C(NC4=CC=C(N5CCN(CCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4)N=C32)C1", "label": 1}, "4589": {"pro_comp_id": 2620, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_299_lig_smina_out.mol2", "protac_path": "2620_protac.mol2", "smiles": "C=CC(=O)N1CCC[C@H](N2C(NC3=CC=CC=C3)=NC3=CN=C(NC4=CC=C(N5CCN(CCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4)N=C32)C1", "label": 0}, "4590": {"pro_comp_id": 2620, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_299_lig_smina_out.mol2", "protac_path": "2620_protac.mol2", "smiles": "C=CC(=O)N1CCC[C@H](N2C(NC3=CC=CC=C3)=NC3=CN=C(NC4=CC=C(N5CCN(CCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4)N=C32)C1", "label": 1}, "4591": {"pro_comp_id": 2621, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_299_lig_smina_out.mol2", "protac_path": "2621_protac.mol2", "smiles": "C=CC(=O)N1CCC[C@H](N2C(NC3=CC=CC=C3)=NC3=CN=C(NC4=CC=C(N5CCN(CCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4)N=C32)C1", "label": 0}, "4592": {"pro_comp_id": 2621, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_299_lig_smina_out.mol2", "protac_path": "2621_protac.mol2", "smiles": "C=CC(=O)N1CCC[C@H](N2C(NC3=CC=CC=C3)=NC3=CN=C(NC4=CC=C(N5CCN(CCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4)N=C32)C1", "label": 1}, "4593": {"pro_comp_id": 2622, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_299_lig_smina_out.mol2", "protac_path": "2622_protac.mol2", "smiles": "C=CC(=O)N1CCC[C@H](N2C(NC3=CC=CC=C3)=NC3=CN=C(NC4=CC=C(N5CCN(CC(=O)NCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4)N=C32)C1", "label": 0}, "4594": {"pro_comp_id": 2622, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_299_lig_smina_out.mol2", "protac_path": "2622_protac.mol2", "smiles": "C=CC(=O)N1CCC[C@H](N2C(NC3=CC=CC=C3)=NC3=CN=C(NC4=CC=C(N5CCN(CC(=O)NCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4)N=C32)C1", "label": 1}, "4595": {"pro_comp_id": 2623, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_299_lig_smina_out.mol2", "protac_path": "2623_protac.mol2", "smiles": "C=CC(=O)N1CCC[C@H](N2C(NC3=CC=CC=C3)=NC3=CN=C(NC4=CC=C(N5CCN(CC(=O)NCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4)N=C32)C1", "label": 0}, "4596": {"pro_comp_id": 2623, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_299_lig_smina_out.mol2", "protac_path": "2623_protac.mol2", "smiles": "C=CC(=O)N1CCC[C@H](N2C(NC3=CC=CC=C3)=NC3=CN=C(NC4=CC=C(N5CCN(CC(=O)NCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4)N=C32)C1", "label": 1}, "4597": {"pro_comp_id": 2624, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_299_lig_smina_out.mol2", "protac_path": "2624_protac.mol2", "smiles": "C=CC(=O)N1CCC[C@H](N2C(NC3=CC=CC=C3)=NC3=CN=C(NC4=CC=C(N5CCN(CC(=O)NCCOCCOCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4)N=C32)C1", "label": 0}, "4598": {"pro_comp_id": 2624, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_P00533_299_lig_smina_out.mol2", "protac_path": "2624_protac.mol2", "smiles": "C=CC(=O)N1CCC[C@H](N2C(NC3=CC=CC=C3)=NC3=CN=C(NC4=CC=C(N5CCN(CC(=O)NCCOCCOCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4)N=C32)C1", "label": 1}, "4599": {"pro_comp_id": 2625, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "EGFR_P00533_299_lig_smina_out.mol2", "protac_path": "2625_protac.mol2", "smiles": "C=CC(=O)N1CCC[C@H](N2C(NC3=CC=CC=C3)=NC3=CN=C(NC4=CC=C(N5CCN(CCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4)N=C32)C1", "label": 1}, "4600": {"pro_comp_id": 2625, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "EGFR_P00533_299_lig_smina_out.mol2", "protac_path": "2625_protac.mol2", "smiles": "C=CC(=O)N1CCC[C@H](N2C(NC3=CC=CC=C3)=NC3=CN=C(NC4=CC=C(N5CCN(CCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4)N=C32)C1", "label": 1}, "4601": {"pro_comp_id": 2626, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "EGFR_P00533_300_lig_smina_out.mol2", "protac_path": "2626_protac.mol2", "smiles": "CCC(=O)N1CCC[C@H](N2C(NC3=CC=CC=C3)=NC3=CN=C(NC4=CC=C(N5CCN(CCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4)N=C32)C1", "label": 0}, "4602": {"pro_comp_id": 2626, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "EGFR_P00533_300_lig_smina_out.mol2", "protac_path": "2626_protac.mol2", "smiles": "CCC(=O)N1CCC[C@H](N2C(NC3=CC=CC=C3)=NC3=CN=C(NC4=CC=C(N5CCN(CCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4)N=C32)C1", "label": 1}, "4603": {"pro_comp_id": 2627, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SOS1_Q07889_301_lig_smina_out.mol2", "protac_path": "2627_protac.mol2", "smiles": "CC1=CC(CN2C(N3CC4(CNC4)C3)=NC3=C(N4CCN(CCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=C(Cl)C=C32)=CC(C)=C1F", "label": 0}, "4604": {"pro_comp_id": 2628, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SOS1_Q07889_301_lig_smina_out.mol2", "protac_path": "2628_protac.mol2", "smiles": "CC1=CC(CN2C(N3CC4(CNC4)C3)=NC3=C(N4CCN(CCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=C(Cl)C=C32)=CC(C)=C1F", "label": 0}, "4605": {"pro_comp_id": 2629, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SOS1_Q07889_301_lig_smina_out.mol2", "protac_path": "2629_protac.mol2", "smiles": "CC1=CC(CN2C(N3CC4(CNC4)C3)=NC3=C(N4CCN(CCCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=C(Cl)C=C32)=CC(C)=C1F", "label": 0}, "4606": {"pro_comp_id": 2630, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SOS1_Q07889_301_lig_smina_out.mol2", "protac_path": "2630_protac.mol2", "smiles": "CC1=CC(CN2C(N3CC4(CNC4)C3)=NC3=C(N4CCN(CCCCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=C(Cl)C=C32)=CC(C)=C1F", "label": 1}, "4607": {"pro_comp_id": 2630, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SOS1_Q07889_301_lig_smina_out.mol2", "protac_path": "2630_protac.mol2", "smiles": "CC1=CC(CN2C(N3CC4(CNC4)C3)=NC3=C(N4CCN(CCCCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=C(Cl)C=C32)=CC(C)=C1F", "label": 1}, "4608": {"pro_comp_id": 2631, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SOS1_Q07889_301_lig_smina_out.mol2", "protac_path": "2631_protac.mol2", "smiles": "CC1=CC(CN2C(N3CC4(CNC4)C3)=NC3=C(N4CCN(CCCCCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=C(Cl)C=C32)=CC(C)=C1F", "label": 0}, "4609": {"pro_comp_id": 2632, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SOS1_Q07889_301_lig_smina_out.mol2", "protac_path": "2632_protac.mol2", "smiles": "CC1=CC(CN2C(N3CC4(CNC4)C3)=NC3=C(N4CCN(CCCCCCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=C(Cl)C=C32)=CC(C)=C1F", "label": 0}, "4610": {"pro_comp_id": 2633, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SOS1_Q07889_301_lig_smina_out.mol2", "protac_path": "2633_protac.mol2", "smiles": "CC1=CC(CN2C(N3CC4(CNC4)C3)=NC3=C(N4CCN(CCCCCCCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=C(Cl)C=C32)=CC(C)=C1F", "label": 0}, "4611": {"pro_comp_id": 2634, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SOS1_Q07889_301_lig_smina_out.mol2", "protac_path": "2634_protac.mol2", "smiles": "CC1=CC(CN2C(N3CC4(CNC4)C3)=NC3=C(N4CCN(CCOCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=C(Cl)C=C32)=CC(C)=C1F", "label": 0}, "4612": {"pro_comp_id": 2635, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SOS1_Q07889_301_lig_smina_out.mol2", "protac_path": "2635_protac.mol2", "smiles": "CC1=CC(CN2C(N3CC4(CNC4)C3)=NC3=C(N4CCN(CCOCCOCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=C(Cl)C=C32)=CC(C)=C1F", "label": 0}, "4613": {"pro_comp_id": 2636, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SOS1_Q07889_301_lig_smina_out.mol2", "protac_path": "2636_protac.mol2", "smiles": "CC1=CC(CN2C(N3CC4(CNC4)C3)=NC3=C(N4CCN(CCOCCOCCOCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=C(Cl)C=C32)=CC(C)=C1F", "label": 0}, "4614": {"pro_comp_id": 2637, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SOS1_Q07889_301_lig_smina_out.mol2", "protac_path": "2637_protac.mol2", "smiles": "CC1=CC(CN2C(N3CC4(CNC4)C3)=NC3=C(N4CCN(CCC(=O)NCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=C(Cl)C=C32)=CC(C)=C1F", "label": 0}, "4615": {"pro_comp_id": 2638, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SOS1_Q07889_301_lig_smina_out.mol2", "protac_path": "2638_protac.mol2", "smiles": "CC1=CC(CN2C(N3CC4(CNC4)C3)=NC3=C(N4CCN(CCCC(=O)NCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=C(Cl)C=C32)=CC(C)=C1F", "label": 0}, "4616": {"pro_comp_id": 2639, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SOS1_Q07889_301_lig_smina_out.mol2", "protac_path": "2639_protac.mol2", "smiles": "CC1=CC(CN2C(N3CC4(CNC4)C3)=NC3=C(N4CCN(CCCCC(=O)NCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=C(Cl)C=C32)=CC(C)=C1F", "label": 0}, "4617": {"pro_comp_id": 2640, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SOS1_Q07889_301_lig_smina_out.mol2", "protac_path": "2640_protac.mol2", "smiles": "CC1=CC(CN2C(N3CC4(CNC4)C3)=NC3=C(N4CCN(CC5CCN(CC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)CC4)C=C(Cl)C=C32)=CC(C)=C1F", "label": 0}, "4618": {"pro_comp_id": 2641, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SOS1_Q07889_301_lig_smina_out.mol2", "protac_path": "2641_protac.mol2", "smiles": "CC1=CC(CN2C(N3CC4(CNC4)C3)=NC3=C(N4CCN(CC5CCN(CCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)CC4)C=C(Cl)C=C32)=CC(C)=C1F", "label": 0}, "4619": {"pro_comp_id": 2642, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SOS1_Q07889_301_lig_smina_out.mol2", "protac_path": "2642_protac.mol2", "smiles": "CC1=CC(CN2C(N3CC4(CNC4)C3)=NC3=C(N4CCN(CC5CCN(CCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)CC4)C=C(Cl)C=C32)=CC(C)=C1F", "label": 0}, "4620": {"pro_comp_id": 2643, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_302_lig_smina_out.mol2", "protac_path": "2643_protac.mol2", "smiles": "CN1C=C(C2=CC=CC=C2OC2=CC=CC=C2)C2=C([NH]C(C(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C1=O", "label": -1}, "4621": {"pro_comp_id": 2643, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD2_P25440_302_lig_smina_out.mol2", "protac_path": "2643_protac.mol2", "smiles": "CN1C=C(C2=CC=CC=C2OC2=CC=CC=C2)C2=C([NH]C(C(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C1=O", "label": -1}, "4622": {"pro_comp_id": 2643, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD3_Q15059_302_lig_smina_out.mol2", "protac_path": "2643_protac.mol2", "smiles": "CN1C=C(C2=CC=CC=C2OC2=CC=CC=C2)C2=C([NH]C(C(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C1=O", "label": -1}, "4623": {"pro_comp_id": 2644, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_302_lig_smina_out.mol2", "protac_path": "2644_protac.mol2", "smiles": "CN1C=C(C2=CC=CC=C2OC2=CC=CC=C2)C2=C([NH]C(C(=O)NCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C1=O", "label": -1}, "4624": {"pro_comp_id": 2644, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD2_P25440_302_lig_smina_out.mol2", "protac_path": "2644_protac.mol2", "smiles": "CN1C=C(C2=CC=CC=C2OC2=CC=CC=C2)C2=C([NH]C(C(=O)NCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C1=O", "label": -1}, "4625": {"pro_comp_id": 2644, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD3_Q15059_302_lig_smina_out.mol2", "protac_path": "2644_protac.mol2", "smiles": "CN1C=C(C2=CC=CC=C2OC2=CC=CC=C2)C2=C([NH]C(C(=O)NCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C1=O", "label": -1}, "4626": {"pro_comp_id": 2645, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_302_lig_smina_out.mol2", "protac_path": "2645_protac.mol2", "smiles": "CN1C=C(C2=CC=CC=C2OC2=CC=CC=C2)C2=C([NH]C(C(=O)NCCCCC(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C1=O", "label": -1}, "4627": {"pro_comp_id": 2645, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD2_P25440_302_lig_smina_out.mol2", "protac_path": "2645_protac.mol2", "smiles": "CN1C=C(C2=CC=CC=C2OC2=CC=CC=C2)C2=C([NH]C(C(=O)NCCCCC(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C1=O", "label": -1}, "4628": {"pro_comp_id": 2645, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD3_Q15059_302_lig_smina_out.mol2", "protac_path": "2645_protac.mol2", "smiles": "CN1C=C(C2=CC=CC=C2OC2=CC=CC=C2)C2=C([NH]C(C(=O)NCCCCC(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C1=O", "label": -1}, "4629": {"pro_comp_id": 2646, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_302_lig_smina_out.mol2", "protac_path": "2646_protac.mol2", "smiles": "CN1C=C(C2=CC=CC=C2OC2=CC=CC=C2)C2=C([NH]C(C(=O)NCCCCCC(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C1=O", "label": -1}, "4630": {"pro_comp_id": 2646, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD2_P25440_302_lig_smina_out.mol2", "protac_path": "2646_protac.mol2", "smiles": "CN1C=C(C2=CC=CC=C2OC2=CC=CC=C2)C2=C([NH]C(C(=O)NCCCCCC(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C1=O", "label": -1}, "4631": {"pro_comp_id": 2646, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD3_Q15059_302_lig_smina_out.mol2", "protac_path": "2646_protac.mol2", "smiles": "CN1C=C(C2=CC=CC=C2OC2=CC=CC=C2)C2=C([NH]C(C(=O)NCCCCCC(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C1=O", "label": -1}, "4632": {"pro_comp_id": 2647, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_302_lig_smina_out.mol2", "protac_path": "2647_protac.mol2", "smiles": "CN1C=C(C2=CC=CC=C2OC2=CC=CC=C2)C2=C([NH]C(C(=O)NCCCCCCC(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C1=O", "label": -1}, "4633": {"pro_comp_id": 2647, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD2_P25440_302_lig_smina_out.mol2", "protac_path": "2647_protac.mol2", "smiles": "CN1C=C(C2=CC=CC=C2OC2=CC=CC=C2)C2=C([NH]C(C(=O)NCCCCCCC(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C1=O", "label": -1}, "4634": {"pro_comp_id": 2647, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD3_Q15059_302_lig_smina_out.mol2", "protac_path": "2647_protac.mol2", "smiles": "CN1C=C(C2=CC=CC=C2OC2=CC=CC=C2)C2=C([NH]C(C(=O)NCCCCCCC(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C1=O", "label": -1}, "4635": {"pro_comp_id": 2648, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_302_lig_smina_out.mol2", "protac_path": "2648_protac.mol2", "smiles": "CN1C=C(C2=CC=CC=C2OC2=CC=CC=C2)C2=C([NH]C(C(=O)NCC3=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=C2)C1=O", "label": -1}, "4636": {"pro_comp_id": 2648, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD2_P25440_302_lig_smina_out.mol2", "protac_path": "2648_protac.mol2", "smiles": "CN1C=C(C2=CC=CC=C2OC2=CC=CC=C2)C2=C([NH]C(C(=O)NCC3=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=C2)C1=O", "label": -1}, "4637": {"pro_comp_id": 2648, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD3_Q15059_302_lig_smina_out.mol2", "protac_path": "2648_protac.mol2", "smiles": "CN1C=C(C2=CC=CC=C2OC2=CC=CC=C2)C2=C([NH]C(C(=O)NCC3=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=C2)C1=O", "label": -1}, "4638": {"pro_comp_id": 2649, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_302_lig_smina_out.mol2", "protac_path": "2649_protac.mol2", "smiles": "CN1C=C(C2=CC=CC=C2)C2=C([NH]C(C(=O)NCC3=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=C2)C1=O", "label": -1}, "4639": {"pro_comp_id": 2649, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD2_P25440_302_lig_smina_out.mol2", "protac_path": "2649_protac.mol2", "smiles": "CN1C=C(C2=CC=CC=C2)C2=C([NH]C(C(=O)NCC3=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=C2)C1=O", "label": -1}, "4640": {"pro_comp_id": 2649, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD3_Q15059_302_lig_smina_out.mol2", "protac_path": "2649_protac.mol2", "smiles": "CN1C=C(C2=CC=CC=C2)C2=C([NH]C(C(=O)NCC3=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=C2)C1=O", "label": -1}, "4641": {"pro_comp_id": 2650, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_302_lig_smina_out.mol2", "protac_path": "2650_protac.mol2", "smiles": "CN1C=C(C2=CC=CC(C(C)(C)O)=C2)C2=C([NH]C(C(=O)NCC3=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=C2)C1=O", "label": -1}, "4642": {"pro_comp_id": 2650, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD2_P25440_302_lig_smina_out.mol2", "protac_path": "2650_protac.mol2", "smiles": "CN1C=C(C2=CC=CC(C(C)(C)O)=C2)C2=C([NH]C(C(=O)NCC3=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=C2)C1=O", "label": -1}, "4643": {"pro_comp_id": 2650, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD3_Q15059_302_lig_smina_out.mol2", "protac_path": "2650_protac.mol2", "smiles": "CN1C=C(C2=CC=CC(C(C)(C)O)=C2)C2=C([NH]C(C(=O)NCC3=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=C2)C1=O", "label": -1}, "4644": {"pro_comp_id": 2651, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_302_lig_smina_out.mol2", "protac_path": "2651_protac.mol2", "smiles": "CC(C)OC1=CC=CC=C1C1=CN(C)C(=O)C2=C1C=C(C(=O)NCC1=CC=C(C(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C1)[NH]2", "label": -1}, "4645": {"pro_comp_id": 2651, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD2_P25440_302_lig_smina_out.mol2", "protac_path": "2651_protac.mol2", "smiles": "CC(C)OC1=CC=CC=C1C1=CN(C)C(=O)C2=C1C=C(C(=O)NCC1=CC=C(C(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C1)[NH]2", "label": -1}, "4646": {"pro_comp_id": 2651, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD3_Q15059_302_lig_smina_out.mol2", "protac_path": "2651_protac.mol2", "smiles": "CC(C)OC1=CC=CC=C1C1=CN(C)C(=O)C2=C1C=C(C(=O)NCC1=CC=C(C(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C1)[NH]2", "label": -1}, "4647": {"pro_comp_id": 2652, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_302_lig_smina_out.mol2", "protac_path": "2652_protac.mol2", "smiles": "CN1C=C(C2=CC=CC=C2OC2CC2)C2=C([NH]C(C(=O)NCC3=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=C2)C1=O", "label": -1}, "4648": {"pro_comp_id": 2652, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD2_P25440_302_lig_smina_out.mol2", "protac_path": "2652_protac.mol2", "smiles": "CN1C=C(C2=CC=CC=C2OC2CC2)C2=C([NH]C(C(=O)NCC3=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=C2)C1=O", "label": -1}, "4649": {"pro_comp_id": 2652, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD3_Q15059_302_lig_smina_out.mol2", "protac_path": "2652_protac.mol2", "smiles": "CN1C=C(C2=CC=CC=C2OC2CC2)C2=C([NH]C(C(=O)NCC3=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=C2)C1=O", "label": -1}, "4650": {"pro_comp_id": 2653, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_302_lig_smina_out.mol2", "protac_path": "2653_protac.mol2", "smiles": "C=C(C)C1=CC=C(OC(C)C)C(C2=CN(C)C(=O)C3=C2C=C(C(=O)NCC2=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C2)[NH]3)=C1", "label": -1}, "4651": {"pro_comp_id": 2653, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD2_P25440_302_lig_smina_out.mol2", "protac_path": "2653_protac.mol2", "smiles": "C=C(C)C1=CC=C(OC(C)C)C(C2=CN(C)C(=O)C3=C2C=C(C(=O)NCC2=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C2)[NH]3)=C1", "label": -1}, "4652": {"pro_comp_id": 2653, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD3_Q15059_302_lig_smina_out.mol2", "protac_path": "2653_protac.mol2", "smiles": "C=C(C)C1=CC=C(OC(C)C)C(C2=CN(C)C(=O)C3=C2C=C(C(=O)NCC2=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C2)[NH]3)=C1", "label": -1}, "4653": {"pro_comp_id": 2654, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_302_lig_smina_out.mol2", "protac_path": "2654_protac.mol2", "smiles": "C=C(C)C1=CC=C(OC2=CC=CC=C2)C(C2=CN(C)C(=O)C3=C2C=C(C(=O)NCC2=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C2)[NH]3)=C1", "label": -1}, "4654": {"pro_comp_id": 2654, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD2_P25440_302_lig_smina_out.mol2", "protac_path": "2654_protac.mol2", "smiles": "C=C(C)C1=CC=C(OC2=CC=CC=C2)C(C2=CN(C)C(=O)C3=C2C=C(C(=O)NCC2=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C2)[NH]3)=C1", "label": -1}, "4655": {"pro_comp_id": 2654, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD3_Q15059_302_lig_smina_out.mol2", "protac_path": "2654_protac.mol2", "smiles": "C=C(C)C1=CC=C(OC2=CC=CC=C2)C(C2=CN(C)C(=O)C3=C2C=C(C(=O)NCC2=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C2)[NH]3)=C1", "label": -1}, "4656": {"pro_comp_id": 2655, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_302_lig_smina_out.mol2", "protac_path": "2655_protac.mol2", "smiles": "CC(C)OC1=CC=C(C(C)(C)O)C=C1C1=CN(C)C(=O)C2=C1C=C(C(=O)NCC1=CC=C(C(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C1)[NH]2", "label": -1}, "4657": {"pro_comp_id": 2655, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD2_P25440_302_lig_smina_out.mol2", "protac_path": "2655_protac.mol2", "smiles": "CC(C)OC1=CC=C(C(C)(C)O)C=C1C1=CN(C)C(=O)C2=C1C=C(C(=O)NCC1=CC=C(C(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C1)[NH]2", "label": -1}, "4658": {"pro_comp_id": 2655, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD3_Q15059_302_lig_smina_out.mol2", "protac_path": "2655_protac.mol2", "smiles": "CC(C)OC1=CC=C(C(C)(C)O)C=C1C1=CN(C)C(=O)C2=C1C=C(C(=O)NCC1=CC=C(C(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C1)[NH]2", "label": -1}, "4659": {"pro_comp_id": 2656, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_302_lig_smina_out.mol2", "protac_path": "2656_protac.mol2", "smiles": "CN1C=C(C2=CC(C(C)(C)O)=CC=C2OC2CC2)C2=C([NH]C(C(=O)NCC3=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=C2)C1=O", "label": -1}, "4660": {"pro_comp_id": 2656, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD2_P25440_302_lig_smina_out.mol2", "protac_path": "2656_protac.mol2", "smiles": "CN1C=C(C2=CC(C(C)(C)O)=CC=C2OC2CC2)C2=C([NH]C(C(=O)NCC3=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=C2)C1=O", "label": -1}, "4661": {"pro_comp_id": 2656, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD3_Q15059_302_lig_smina_out.mol2", "protac_path": "2656_protac.mol2", "smiles": "CN1C=C(C2=CC(C(C)(C)O)=CC=C2OC2CC2)C2=C([NH]C(C(=O)NCC3=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=C2)C1=O", "label": -1}, "4662": {"pro_comp_id": 2657, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_302_lig_smina_out.mol2", "protac_path": "2657_protac.mol2", "smiles": "CN1C=C(C2=CC(C(C)(C)O)=CC=C2OC2=CC=CC=C2)C2=C([NH]C(C(=O)NCC3=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=C2)C1=O", "label": -1}, "4663": {"pro_comp_id": 2657, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD2_P25440_302_lig_smina_out.mol2", "protac_path": "2657_protac.mol2", "smiles": "CN1C=C(C2=CC(C(C)(C)O)=CC=C2OC2=CC=CC=C2)C2=C([NH]C(C(=O)NCC3=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=C2)C1=O", "label": -1}, "4664": {"pro_comp_id": 2657, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD3_Q15059_302_lig_smina_out.mol2", "protac_path": "2657_protac.mol2", "smiles": "CN1C=C(C2=CC(C(C)(C)O)=CC=C2OC2=CC=CC=C2)C2=C([NH]C(C(=O)NCC3=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=C2)C1=O", "label": -1}, "4665": {"pro_comp_id": 2658, "tar_path": "eIF4E_P06730.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "eIF4E_P06730_303_lig_smina_out.mol2", "protac_path": "2658_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCNC(=O)CC1=C(C2=CC=C(Cl)C(Cl)=C2)N=C(N/N=C(\\CC2=CC=CC=C2[N+](=O)[O-])C(=O)O)S1", "label": 0}, "4666": {"pro_comp_id": 2659, "tar_path": "eIF4E_P06730.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "eIF4E_P06730_304_lig_smina_out.mol2", "protac_path": "2659_protac.mol2", "smiles": "C/C(=N\\NC1=NC(C2=CC=C(C3=CC=CC=C3)C=C2)=CS1)C(=O)NCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 0}, "4667": {"pro_comp_id": 2660, "tar_path": "eIF4E_P06730.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "eIF4E_P06730_304_lig_smina_out.mol2", "protac_path": "2660_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCNC(=O)/C(CC4=CC=CC=C4[N+](=O)[O-])=N/NC4=NC(C5=CC=C(C6=CC=CC=C6)C=C5)=CS4)=C3C2=O)C(=O)N1", "label": 0}, "4668": {"pro_comp_id": 2661, "tar_path": "eIF4E_P06730.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "eIF4E_P06730_304_lig_smina_out.mol2", "protac_path": "2661_protac.mol2", "smiles": "C/C(=N\\NC1=NC(C2=CC=C(C3=CC=CC=C3)C=C2)=CS1)C(=O)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 0}, "4669": {"pro_comp_id": 2662, "tar_path": "eIF4E_P06730.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "eIF4E_P06730_304_lig_smina_out.mol2", "protac_path": "2662_protac.mol2", "smiles": "C/C(=N\\NC1=NC(C2=CC=C(C3=CC=CC=C3)C=C2)=CS1)C(=O)NCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 0}, "4670": {"pro_comp_id": 2663, "tar_path": "eIF4E_P06730.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "eIF4E_P06730_303_lig_smina_out.mol2", "protac_path": "2663_protac.mol2", "smiles": "C/C(=N\\NC1=NC(C2=CC=C(Cl)C(Cl)=C2)=C(CC(=O)NCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)S1)C(=O)OCOC(=O)C(C)(C)C", "label": 0}, "4671": {"pro_comp_id": 2664, "tar_path": "TYR_P14679.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TYR_P14679_305_lig_smina_out.mol2", "protac_path": "2664_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCC(=O)OCC4=CC(=O)C(O)=CO4)=C3C2=O)C(=O)N1", "label": 0}, "4672": {"pro_comp_id": 2665, "tar_path": "TYR_P14679.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TYR_P14679_305_lig_smina_out.mol2", "protac_path": "2665_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCC(=O)OCC4=CC(=O)C(O)=CO4)=C3C2=O)C(=O)N1", "label": 0}, "4673": {"pro_comp_id": 2666, "tar_path": "TYR_P14679.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TYR_P14679_305_lig_smina_out.mol2", "protac_path": "2666_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCCC(=O)OCC4=CC(=O)C(O)=CO4)=C3C2=O)C(=O)N1", "label": 0}, "4674": {"pro_comp_id": 2667, "tar_path": "TYR_P14679.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TYR_P14679_305_lig_smina_out.mol2", "protac_path": "2667_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCCCCC(=O)OCC4=CC(=O)C(O)=CO4)=C3C2=O)C(=O)N1", "label": 0}, "4675": {"pro_comp_id": 2668, "tar_path": "TYR_P14679.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TYR_P14679_306_lig_smina_out.mol2", "protac_path": "2668_protac.mol2", "smiles": "N[C@@H](CC1=CC=C(O)C(O)=C1)C(=O)NCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "4676": {"pro_comp_id": 2669, "tar_path": "TYR_P14679.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TYR_P14679_306_lig_smina_out.mol2", "protac_path": "2669_protac.mol2", "smiles": "N[C@@H](CC1=CC=C(O)C(O)=C1)C(=O)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "4677": {"pro_comp_id": 2670, "tar_path": "TYR_P14679.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TYR_P14679_306_lig_smina_out.mol2", "protac_path": "2670_protac.mol2", "smiles": "N[C@@H](CC1=CC=C(O)C(O)=C1)C(=O)NCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "4678": {"pro_comp_id": 2671, "tar_path": "TYR_P14679.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TYR_P14679_306_lig_smina_out.mol2", "protac_path": "2671_protac.mol2", "smiles": "N[C@@H](CC1=CC=C(O)C(O)=C1)C(=O)NCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "4679": {"pro_comp_id": 2672, "tar_path": "TYR_P14679.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TYR_P14679_306_lig_smina_out.mol2", "protac_path": "2672_protac.mol2", "smiles": "N[C@@H](CC1=CC=C(O)C(O)=C1)C(=O)NCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 0}, "4680": {"pro_comp_id": 2673, "tar_path": "TYR_P14679.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TYR_P14679_306_lig_smina_out.mol2", "protac_path": "2673_protac.mol2", "smiles": "N[C@@H](CC1=CC=C(O)C(O)=C1)C(=O)NCCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "4681": {"pro_comp_id": 2674, "tar_path": "TYR_P14679.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TYR_P14679_306_lig_smina_out.mol2", "protac_path": "2674_protac.mol2", "smiles": "N[C@@H](CC1=CC=C(O)C(O)=C1)C(=O)NCCCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "4682": {"pro_comp_id": 2675, "tar_path": "TYR_P14679.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TYR_P14679_306_lig_smina_out.mol2", "protac_path": "2675_protac.mol2", "smiles": "N[C@@H](CC1=CC=C(O)C(O)=C1)C(=O)NCCCCCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "4683": {"pro_comp_id": 2676, "tar_path": "TYR_P14679.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TYR_P14679_306_lig_smina_out.mol2", "protac_path": "2676_protac.mol2", "smiles": "N[C@@H](CC1=CC=C(O)C(O)=C1)C(=O)NCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "4684": {"pro_comp_id": 2677, "tar_path": "TYR_P14679.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TYR_P14679_306_lig_smina_out.mol2", "protac_path": "2677_protac.mol2", "smiles": "N[C@@H](CC1=CC=C(O)C(O)=C1)C(=O)NCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "4685": {"pro_comp_id": 2678, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK2_P24941_307_lig_smina_out.mol2", "protac_path": "2678_protac.mol2", "smiles": "CC1=NC=C(C2=CC=NC(NC3=CC=C(S(=O)(=O)CCCC4=CN(CCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)C=C3)=N2)N1C(C)C", "label": -1}, "4686": {"pro_comp_id": 2679, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CDK2_P24941_307_lig_smina_out.mol2", "protac_path": "2679_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCN3C=C(CCCS(=O)(=O)C4=CC=C(NC5=NC=CC(C6=CN=C(C)N6C(C)C)=N5)C=C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4687": {"pro_comp_id": 2680, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK2_P24941_308_lig_smina_out.mol2", "protac_path": "2680_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCN4C=C(CO[C@H]5CC[C@H](NC(=O)C6=N[NH]C=C6NC(=O)C6=C(F)C=CC=C6F)CC5)N=N4)=C3C2=O)C(=O)N1", "label": -1}, "4688": {"pro_comp_id": 2681, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CDK2_P24941_308_lig_smina_out.mol2", "protac_path": "2681_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCN3C=C(CO[C@H]4CC[C@H](NC(=O)C5=N[NH]C=C5NC(=O)C5=C(F)C=CC=C5F)CC4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4689": {"pro_comp_id": 2682, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_309_lig_smina_out.mol2", "protac_path": "2682_protac.mol2", "smiles": "CC[C@@H]1C2=NN=C(C)N2C2=CN=C(NC3=CC=C(C(=O)NC4CCN(CCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)N=C2N1CC1CCCCC1", "label": -1}, "4690": {"pro_comp_id": 2683, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_309_lig_smina_out.mol2", "protac_path": "2683_protac.mol2", "smiles": "CC[C@@H]1C2=NN=C(C)N2C2=CN=C(NC3=CC=C(C(=O)NC4CCN(CCCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)N=C2N1CC1CCCCC1", "label": -1}, "4691": {"pro_comp_id": 2684, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_309_lig_smina_out.mol2", "protac_path": "2684_protac.mol2", "smiles": "CC[C@@H]1C2=NN=C(C)N2C2=CN=C(NC3=CC=C(C(=O)NC4CCN(CCCCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)N=C2N1CC1CCCCC1", "label": -1}, "4692": {"pro_comp_id": 2685, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_309_lig_smina_out.mol2", "protac_path": "2685_protac.mol2", "smiles": "CC[C@@H]1C2=NN=C(C)N2C2=CN=C(NC3=CC=C(C(=O)NC4CCN(CCCCCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)N=C2N1CC1CCCCC1", "label": -1}, "4693": {"pro_comp_id": 2686, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_309_lig_smina_out.mol2", "protac_path": "2686_protac.mol2", "smiles": "CC[C@@H]1C2=NN=C(C)N2C2=CN=C(NC3=CC=C(C(=O)NC4CCN(CCCCCCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)N=C2N1CC1CCCCC1", "label": -1}, "4694": {"pro_comp_id": 2687, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_309_lig_smina_out.mol2", "protac_path": "2687_protac.mol2", "smiles": "CC[C@@H]1C2=NN=C(C)N2C2=CN=C(NC3=CC=C(C(=O)NC4CCN(CCCCCCCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)N=C2N1CC1CCCCC1", "label": -1}, "4695": {"pro_comp_id": 2688, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_309_lig_smina_out.mol2", "protac_path": "2688_protac.mol2", "smiles": "CC[C@@H]1C2=NN=C(C)N2C2=CN=C(NC3=CC=C(C(=O)NC4CCN(CCCCCCCCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)N=C2N1CC1CCCCC1", "label": -1}, "4696": {"pro_comp_id": 2689, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_309_lig_smina_out.mol2", "protac_path": "2689_protac.mol2", "smiles": "CC[C@@H]1C2=NN=C(C)N2C2=CN=C(NC3=CC=C(C(=O)NC4CCN(CCCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)N=C2N1CC1CCCCC1", "label": -1}, "4697": {"pro_comp_id": 2690, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_309_lig_smina_out.mol2", "protac_path": "2690_protac.mol2", "smiles": "CC[C@@H]1C2=NN=C(C)N2C2=CN=C(NC3=CC=C(C(=O)NC4CCN(C(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)N=C2N1CC1CCCCC1", "label": 1}, "4698": {"pro_comp_id": 2691, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_309_lig_smina_out.mol2", "protac_path": "2691_protac.mol2", "smiles": "CC[C@@H]1C2=NN=C(C)N2C2=CN=C(NC3=CC=C(C(=O)NC4CCN(C(=O)CCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)N=C2N1CC1CCCCC1", "label": -1}, "4699": {"pro_comp_id": 2692, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_309_lig_smina_out.mol2", "protac_path": "2692_protac.mol2", "smiles": "CC[C@@H]1C2=NN=C(C)N2C2=CN=C(NC3=CC=C(C(=O)NC4CCN(C(=O)CCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)N=C2N1CC1CCCCC1", "label": -1}, "4700": {"pro_comp_id": 2693, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_309_lig_smina_out.mol2", "protac_path": "2693_protac.mol2", "smiles": "CC[C@@H]1C2=NN=C(C)N2C2=CN=C(NC3=CC=C(C(=O)NC4CCN(C(=O)CCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)N=C2N1CC1CCCCC1", "label": -1}, "4701": {"pro_comp_id": 2694, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_309_lig_smina_out.mol2", "protac_path": "2694_protac.mol2", "smiles": "CC[C@@H]1C2=NN=C(C)N2C2=CN=C(NC3=CC=C(C(=O)NC4CCN(C(=O)CCCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)N=C2N1CC1CCCCC1", "label": -1}, "4702": {"pro_comp_id": 2695, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_309_lig_smina_out.mol2", "protac_path": "2695_protac.mol2", "smiles": "CC[C@@H]1C2=NN=C(C)N2C2=CN=C(NC3=CC=C(C(=O)NC4CCN(C(=O)CNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)N=C2N1CC1CCCCC1", "label": -1}, "4703": {"pro_comp_id": 2696, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_309_lig_smina_out.mol2", "protac_path": "2696_protac.mol2", "smiles": "CC[C@@H]1C2=NN=C(C)N2C2=CN=C(NC3=CC=C(C(=O)NC4CCN(C(=O)CCCCNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)N=C2N1CC1CCCCC1", "label": -1}, "4704": {"pro_comp_id": 2697, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_309_lig_smina_out.mol2", "protac_path": "2697_protac.mol2", "smiles": "CC[C@@H]1C2=NN=C(C)N2C2=CN=C(NC3=CC=C(C(=O)NC4CCN(C(=O)CCCCCNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)N=C2N1CC1CCCCC1", "label": -1}, "4705": {"pro_comp_id": 2698, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_309_lig_smina_out.mol2", "protac_path": "2698_protac.mol2", "smiles": "CC[C@@H]1C2=NN=C(C)N2C2=CN=C(NC3=CC=C(C(=O)NC4CCN(C(=O)CCCCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)N=C2N1CC1CCCCC1", "label": -1}, "4752": {"pro_comp_id": 2739, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_311_lig_smina_out.mol2", "protac_path": "2739_protac.mol2", "smiles": "CC(C)N1C=NC2=C(NCC3=NC4=CC(F)=C(NCCCCCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C=C4[NH]3)N=C(N3CCOCC3)N=C21", "label": -1}, "4753": {"pro_comp_id": 2740, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_311_lig_smina_out.mol2", "protac_path": "2740_protac.mol2", "smiles": "CC(C)N1C=NC2=C(NCC3=NC4=CC(F)=C(NCCCCCCCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C=C4[NH]3)N=C(N3CCOCC3)N=C21", "label": 0}, "4754": {"pro_comp_id": 2741, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_311_lig_smina_out.mol2", "protac_path": "2741_protac.mol2", "smiles": "CC(C)N1C=NC2=C(NCC3=NC4=CC(F)=C(NCCCCCCCCCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C=C4[NH]3)N=C(N3CCOCC3)N=C21", "label": -1}, "4755": {"pro_comp_id": 2742, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_311_lig_smina_out.mol2", "protac_path": "2742_protac.mol2", "smiles": "CC(C)N1C=NC2=C(NCC3=NC4=CC(F)=C(NCCCCCCCCCCCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C=C4[NH]3)N=C(N3CCOCC3)N=C21", "label": -1}, "4756": {"pro_comp_id": 2743, "tar_path": "GSK3A_P49840.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "GSK3A_P49840_313_lig_smina_out.mol2", "protac_path": "2743_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CC4=CN(CCOCCOCCOCCNC(=O)CNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1", "label": 0}, "4757": {"pro_comp_id": 2743, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_313_lig_smina_out.mol2", "protac_path": "2743_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CC4=CN(CCOCCOCCOCCNC(=O)CNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1", "label": 0}, "4758": {"pro_comp_id": 2744, "tar_path": "GSK3A_P49840.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "GSK3A_P49840_312_lig_smina_out.mol2", "protac_path": "2744_protac.mol2", "smiles": "COC1=CC=C(C2=C(C(=O)NCCCC3=CN(CCOCCOCCOCCNC(=O)CNC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)N=N3)N=CO2)C=C1Cl", "label": 0}, "4759": {"pro_comp_id": 2744, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_312_lig_smina_out.mol2", "protac_path": "2744_protac.mol2", "smiles": "COC1=CC=C(C2=C(C(=O)NCCCC3=CN(CCOCCOCCOCCNC(=O)CNC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)N=N3)N=CO2)C=C1Cl", "label": 0}, "4760": {"pro_comp_id": 2745, "tar_path": "GSK3A_P49840.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GSK3A_P49840_312_lig_smina_out.mol2", "protac_path": "2745_protac.mol2", "smiles": "COC1=CC=C(C2=C(C(=O)NCCCN3C=C(COCCOCCOCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)N=CO2)C=C1Cl", "label": 0}, "4761": {"pro_comp_id": 2745, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_312_lig_smina_out.mol2", "protac_path": "2745_protac.mol2", "smiles": "COC1=CC=C(C2=C(C(=O)NCCCN3C=C(COCCOCCOCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)N=CO2)C=C1Cl", "label": 0}, "4762": {"pro_comp_id": 2746, "tar_path": "GSK3A_P49840.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "GSK3A_P49840_312_lig_smina_out.mol2", "protac_path": "2746_protac.mol2", "smiles": "COC1=CC=C(C2=C(C(=O)NCCCN3C=C(CCCCC(=O)N[C@@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)N=N3)N=CO2)C=C1Cl", "label": 0}, "4763": {"pro_comp_id": 2746, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_312_lig_smina_out.mol2", "protac_path": "2746_protac.mol2", "smiles": "COC1=CC=C(C2=C(C(=O)NCCCN3C=C(CCCCC(=O)N[C@@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)N=N3)N=CO2)C=C1Cl", "label": 0}, "4764": {"pro_comp_id": 2747, "tar_path": "GSK3A_P49840.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "GSK3A_P49840_312_lig_smina_out.mol2", "protac_path": "2747_protac.mol2", "smiles": "COC1=CC=C(C2=C(C(=O)NCCCN3C=C(COCCOCCOCCOCC(=O)N[C@@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)N=N3)N=CO2)C=C1Cl", "label": 0}, "4765": {"pro_comp_id": 2747, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_312_lig_smina_out.mol2", "protac_path": "2747_protac.mol2", "smiles": "COC1=CC=C(C2=C(C(=O)NCCCN3C=C(COCCOCCOCCOCC(=O)N[C@@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)N=N3)N=CO2)C=C1Cl", "label": 0}, "4766": {"pro_comp_id": 2748, "tar_path": "GSK3A_P49840.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK3A_P49840_313_lig_smina_out.mol2", "protac_path": "2748_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CC4=CN(CCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1", "label": 0}, "4767": {"pro_comp_id": 2748, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_313_lig_smina_out.mol2", "protac_path": "2748_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CC4=CN(CCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1", "label": 0}, "4768": {"pro_comp_id": 2749, "tar_path": "GSK3A_P49840.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK3A_P49840_313_lig_smina_out.mol2", "protac_path": "2749_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CC4=CN(CCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1", "label": 0}, "4769": {"pro_comp_id": 2749, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_313_lig_smina_out.mol2", "protac_path": "2749_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CC4=CN(CCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1", "label": 0}, "4770": {"pro_comp_id": 2750, "tar_path": "GSK3A_P49840.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK3A_P49840_313_lig_smina_out.mol2", "protac_path": "2750_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CC4=CN(CCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1", "label": 0}, "4771": {"pro_comp_id": 2750, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_313_lig_smina_out.mol2", "protac_path": "2750_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CC4=CN(CCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1", "label": 0}, "4772": {"pro_comp_id": 2751, "tar_path": "GSK3A_P49840.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK3A_P49840_313_lig_smina_out.mol2", "protac_path": "2751_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CC4=CN(CCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1", "label": 0}, "4773": {"pro_comp_id": 2751, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_313_lig_smina_out.mol2", "protac_path": "2751_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CC4=CN(CCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1", "label": 0}, "4774": {"pro_comp_id": 2752, "tar_path": "GSK3A_P49840.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK3A_P49840_313_lig_smina_out.mol2", "protac_path": "2752_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CC4=CN(CCOCCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1", "label": 0}, "4775": {"pro_comp_id": 2752, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_313_lig_smina_out.mol2", "protac_path": "2752_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CC4=CN(CCOCCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1", "label": 0}, "4776": {"pro_comp_id": 2753, "tar_path": "GSK3A_P49840.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK3A_P49840_313_lig_smina_out.mol2", "protac_path": "2753_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CCC4=CN(CCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1", "label": 0}, "4777": {"pro_comp_id": 2753, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_313_lig_smina_out.mol2", "protac_path": "2753_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CCC4=CN(CCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1", "label": 0}, "4778": {"pro_comp_id": 2754, "tar_path": "GSK3A_P49840.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK3A_P49840_313_lig_smina_out.mol2", "protac_path": "2754_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CCC4=CN(CCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1", "label": 0}, "4779": {"pro_comp_id": 2754, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_313_lig_smina_out.mol2", "protac_path": "2754_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CCC4=CN(CCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1", "label": 0}, "4780": {"pro_comp_id": 2755, "tar_path": "GSK3A_P49840.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK3A_P49840_313_lig_smina_out.mol2", "protac_path": "2755_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CCC4=CN(CCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1", "label": 0}, "4781": {"pro_comp_id": 2755, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_313_lig_smina_out.mol2", "protac_path": "2755_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CCC4=CN(CCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1", "label": 0}, "4782": {"pro_comp_id": 2756, "tar_path": "GSK3A_P49840.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK3A_P49840_313_lig_smina_out.mol2", "protac_path": "2756_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CCC4=CN(CCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1", "label": 0}, "4783": {"pro_comp_id": 2756, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_313_lig_smina_out.mol2", "protac_path": "2756_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CCC4=CN(CCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1", "label": 0}, "4784": {"pro_comp_id": 2757, "tar_path": "GSK3A_P49840.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK3A_P49840_313_lig_smina_out.mol2", "protac_path": "2757_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CCC4=CN(CCOCCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1", "label": 0}, "4785": {"pro_comp_id": 2757, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_313_lig_smina_out.mol2", "protac_path": "2757_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CCC4=CN(CCOCCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1", "label": 0}, "4786": {"pro_comp_id": 2758, "tar_path": "GSK3A_P49840.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK3A_P49840_313_lig_smina_out.mol2", "protac_path": "2758_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CCCCC4=CN(CCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1", "label": 0}, "4787": {"pro_comp_id": 2758, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_313_lig_smina_out.mol2", "protac_path": "2758_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CCCCC4=CN(CCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1", "label": 0}, "4788": {"pro_comp_id": 2759, "tar_path": "GSK3A_P49840.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK3A_P49840_313_lig_smina_out.mol2", "protac_path": "2759_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CCCCC4=CN(CCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1", "label": 0}, "4789": {"pro_comp_id": 2759, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_313_lig_smina_out.mol2", "protac_path": "2759_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CCCCC4=CN(CCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1", "label": 0}, "4790": {"pro_comp_id": 2760, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_313_lig_smina_out.mol2", "protac_path": "2760_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CCCCC4=CN(CCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1", "label": 0}, "4791": {"pro_comp_id": 2760, "tar_path": "GSK3A_P49840.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK3A_P49840_313_lig_smina_out.mol2", "protac_path": "2760_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CCCCC4=CN(CCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1", "label": 1}, "4792": {"pro_comp_id": 2761, "tar_path": "GSK3A_P49840.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK3A_P49840_313_lig_smina_out.mol2", "protac_path": "2761_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CCCCC4=CN(CCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1", "label": 1}, "4793": {"pro_comp_id": 2761, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_313_lig_smina_out.mol2", "protac_path": "2761_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CCCCC4=CN(CCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1", "label": 1}, "4794": {"pro_comp_id": 2762, "tar_path": "GSK3A_P49840.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK3A_P49840_313_lig_smina_out.mol2", "protac_path": "2762_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CCCCC4=CN(CCOCCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1", "label": 1}, "4795": {"pro_comp_id": 2762, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_313_lig_smina_out.mol2", "protac_path": "2762_protac.mol2", "smiles": "NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CCCCC4=CN(CCOCCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1", "label": 1}, "4796": {"pro_comp_id": 2763, "tar_path": "GSK3A_P49840.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK3A_P49840_312_lig_smina_out.mol2", "protac_path": "2763_protac.mol2", "smiles": "COC1=CC=C(C2=C(C(=O)NCCCC3=CN(CCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)N=CO2)C=C1Cl", "label": -1}, "4797": {"pro_comp_id": 2763, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_312_lig_smina_out.mol2", "protac_path": "2763_protac.mol2", "smiles": "COC1=CC=C(C2=C(C(=O)NCCCC3=CN(CCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)N=CO2)C=C1Cl", "label": -1}, "4798": {"pro_comp_id": 2764, "tar_path": "GSK3A_P49840.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK3A_P49840_312_lig_smina_out.mol2", "protac_path": "2764_protac.mol2", "smiles": "COC1=CC=C(C2=C(C(=O)NCCCC3=CN(CCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)N=CO2)C=C1Cl", "label": -1}, "4799": {"pro_comp_id": 2764, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_312_lig_smina_out.mol2", "protac_path": "2764_protac.mol2", "smiles": "COC1=CC=C(C2=C(C(=O)NCCCC3=CN(CCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)N=CO2)C=C1Cl", "label": -1}, "4800": {"pro_comp_id": 2765, "tar_path": "GSK3A_P49840.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK3A_P49840_312_lig_smina_out.mol2", "protac_path": "2765_protac.mol2", "smiles": "COC1=CC=C(C2=C(C(=O)NCCCC3=CN(CCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)N=CO2)C=C1Cl", "label": -1}, "4801": {"pro_comp_id": 2765, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_312_lig_smina_out.mol2", "protac_path": "2765_protac.mol2", "smiles": "COC1=CC=C(C2=C(C(=O)NCCCC3=CN(CCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)N=CO2)C=C1Cl", "label": -1}, "4802": {"pro_comp_id": 2766, "tar_path": "GSK3A_P49840.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK3A_P49840_312_lig_smina_out.mol2", "protac_path": "2766_protac.mol2", "smiles": "COC1=CC=C(C2=C(C(=O)NCCCC3=CN(CCOCCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)N=CO2)C=C1Cl", "label": -1}, "4803": {"pro_comp_id": 2766, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_312_lig_smina_out.mol2", "protac_path": "2766_protac.mol2", "smiles": "COC1=CC=C(C2=C(C(=O)NCCCC3=CN(CCOCCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)N=CO2)C=C1Cl", "label": -1}, "4804": {"pro_comp_id": 2767, "tar_path": "GSK3A_P49840.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK3A_P49840_312_lig_smina_out.mol2", "protac_path": "2767_protac.mol2", "smiles": "COC1=CC=C(C2=C(C(=O)NCCCC3=CN(CCOCCOCCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)N=CO2)C=C1Cl", "label": -1}, "4805": {"pro_comp_id": 2767, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_312_lig_smina_out.mol2", "protac_path": "2767_protac.mol2", "smiles": "COC1=CC=C(C2=C(C(=O)NCCCC3=CN(CCOCCOCCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)N=CO2)C=C1Cl", "label": -1}, "4806": {"pro_comp_id": 2768, "tar_path": "GSK3A_P49840.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK3A_P49840_312_lig_smina_out.mol2", "protac_path": "2768_protac.mol2", "smiles": "COC1=CC=C(C2=C(C(=O)NCCCC3=CN(CCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)N=CO2)C=C1I", "label": -1}, "4807": {"pro_comp_id": 2768, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_312_lig_smina_out.mol2", "protac_path": "2768_protac.mol2", "smiles": "COC1=CC=C(C2=C(C(=O)NCCCC3=CN(CCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)N=CO2)C=C1I", "label": -1}, "4808": {"pro_comp_id": 2769, "tar_path": "GSK3A_P49840.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK3A_P49840_312_lig_smina_out.mol2", "protac_path": "2769_protac.mol2", "smiles": "COC1=CC=C(C2=C(C(=O)NCCCC3=CN(CCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)N=CO2)C=C1I", "label": -1}, "4809": {"pro_comp_id": 2769, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_312_lig_smina_out.mol2", "protac_path": "2769_protac.mol2", "smiles": "COC1=CC=C(C2=C(C(=O)NCCCC3=CN(CCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)N=CO2)C=C1I", "label": -1}, "4810": {"pro_comp_id": 2770, "tar_path": "GSK3A_P49840.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK3A_P49840_312_lig_smina_out.mol2", "protac_path": "2770_protac.mol2", "smiles": "COC1=CC=C(C2=C(C(=O)NCCCC3=CN(CCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)N=CO2)C=C1I", "label": -1}, "4811": {"pro_comp_id": 2770, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_312_lig_smina_out.mol2", "protac_path": "2770_protac.mol2", "smiles": "COC1=CC=C(C2=C(C(=O)NCCCC3=CN(CCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)N=CO2)C=C1I", "label": -1}, "4812": {"pro_comp_id": 2771, "tar_path": "GSK3A_P49840.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK3A_P49840_312_lig_smina_out.mol2", "protac_path": "2771_protac.mol2", "smiles": "COC1=CC=C(C2=C(C(=O)NCCCC3=CN(CCOCCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)N=CO2)C=C1I", "label": -1}, "4813": {"pro_comp_id": 2771, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_312_lig_smina_out.mol2", "protac_path": "2771_protac.mol2", "smiles": "COC1=CC=C(C2=C(C(=O)NCCCC3=CN(CCOCCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)N=CO2)C=C1I", "label": -1}, "4814": {"pro_comp_id": 2772, "tar_path": "GSK3A_P49840.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK3A_P49840_312_lig_smina_out.mol2", "protac_path": "2772_protac.mol2", "smiles": "COC1=CC=C(C2=C(C(=O)NCCCC3=CN(CCOCCOCCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)N=CO2)C=C1I", "label": -1}, "4815": {"pro_comp_id": 2772, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_312_lig_smina_out.mol2", "protac_path": "2772_protac.mol2", "smiles": "COC1=CC=C(C2=C(C(=O)NCCCC3=CN(CCOCCOCCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)N=CO2)C=C1I", "label": -1}, "4816": {"pro_comp_id": 2773, "tar_path": "AXL_P30530.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "AXL_P30530_314_lig_smina_out.mol2", "protac_path": "2773_protac.mol2", "smiles": "NC1=NC(NCCNC(=O)CCCNC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NN1C1=CC=C(C2=CC=CC=C2)N=N1", "label": -1}, "4817": {"pro_comp_id": 2774, "tar_path": "AXL_P30530.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "AXL_P30530_314_lig_smina_out.mol2", "protac_path": "2774_protac.mol2", "smiles": "NC1=NC(NCCNC(=O)CCCCNC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NN1C1=CC=C(C2=CC=CC=C2)N=N1", "label": -1}, "4818": {"pro_comp_id": 2775, "tar_path": "AXL_P30530.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "AXL_P30530_314_lig_smina_out.mol2", "protac_path": "2775_protac.mol2", "smiles": "NC1=NC(NCCNC(=O)CCCCCNC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NN1C1=CC=C(C2=CC=CC=C2)N=N1", "label": -1}, "4819": {"pro_comp_id": 2776, "tar_path": "AXL_P30530.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "AXL_P30530_314_lig_smina_out.mol2", "protac_path": "2776_protac.mol2", "smiles": "NC1=NC(NCCNC(=O)CCCCCCNC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NN1C1=CC=C(C2=CC=CC=C2)N=N1", "label": -1}, "4820": {"pro_comp_id": 2777, "tar_path": "AXL_P30530.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "AXL_P30530_314_lig_smina_out.mol2", "protac_path": "2777_protac.mol2", "smiles": "NC1=NC(NCCNC(=O)CCCCCCCNC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NN1C1=CC=C(C2=CC=CC=C2)N=N1", "label": -1}, "4821": {"pro_comp_id": 2778, "tar_path": "AXL_P30530.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "AXL_P30530_314_lig_smina_out.mol2", "protac_path": "2778_protac.mol2", "smiles": "NC1=NC(NC2=CC=C(CNC(=O)CCCNC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C2)=NN1C1=CC=C(C2=CC=CC=C2)N=N1", "label": -1}, "4822": {"pro_comp_id": 2779, "tar_path": "AXL_P30530.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "AXL_P30530_314_lig_smina_out.mol2", "protac_path": "2779_protac.mol2", "smiles": "NC1=NC(NC2=CC=C(CNC(=O)CCCCNC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C2)=NN1C1=CC=C(C2=CC=CC=C2)N=N1", "label": -1}, "4823": {"pro_comp_id": 2780, "tar_path": "AXL_P30530.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "AXL_P30530_314_lig_smina_out.mol2", "protac_path": "2780_protac.mol2", "smiles": "NC1=NC(NC2=CC=C(CNC(=O)CCCCCNC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C2)=NN1C1=CC=C(C2=CC=CC=C2)N=N1", "label": -1}, "4824": {"pro_comp_id": 2781, "tar_path": "AXL_P30530.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "AXL_P30530_314_lig_smina_out.mol2", "protac_path": "2781_protac.mol2", "smiles": "NC1=NC(NC2=CC=C(CNC(=O)CCCCCCNC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C2)=NN1C1=CC=C(C2=CC=CC=C2)N=N1", "label": -1}, "4825": {"pro_comp_id": 2782, "tar_path": "AXL_P30530.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "AXL_P30530_314_lig_smina_out.mol2", "protac_path": "2782_protac.mol2", "smiles": "NC1=NC(NC2=CC=C(CNC(=O)CCCCCCCNC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C2)=NN1C1=CC=C(C2=CC=CC=C2)N=N1", "label": -1}, "4826": {"pro_comp_id": 2783, "tar_path": "AXL_P30530.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "AXL_P30530_314_lig_smina_out.mol2", "protac_path": "2783_protac.mol2", "smiles": "NC1=NC(NCCNC(=O)CCCNC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NN1C1=CC2=C(N=N1)C1=CC=CC=C1CCC2", "label": -1}, "4827": {"pro_comp_id": 2784, "tar_path": "AXL_P30530.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "AXL_P30530_314_lig_smina_out.mol2", "protac_path": "2784_protac.mol2", "smiles": "NC1=NC(NCCNC(=O)CCCCNC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NN1C1=CC2=C(N=N1)C1=CC=CC=C1CCC2", "label": -1}, "4828": {"pro_comp_id": 2785, "tar_path": "AXL_P30530.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "AXL_P30530_314_lig_smina_out.mol2", "protac_path": "2785_protac.mol2", "smiles": "NC1=NC(NCCNC(=O)CCCCCNC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NN1C1=CC2=C(N=N1)C1=CC=CC=C1CCC2", "label": -1}, "4829": {"pro_comp_id": 2786, "tar_path": "AXL_P30530.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "AXL_P30530_314_lig_smina_out.mol2", "protac_path": "2786_protac.mol2", "smiles": "NC1=NC(NCCNC(=O)CCCCCCNC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NN1C1=CC2=C(N=N1)C1=CC=CC=C1CCC2", "label": -1}, "4830": {"pro_comp_id": 2787, "tar_path": "AXL_P30530.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "AXL_P30530_314_lig_smina_out.mol2", "protac_path": "2787_protac.mol2", "smiles": "NC1=NC(NCCNC(=O)CCCCCCCNC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NN1C1=CC2=C(N=N1)C1=CC=CC=C1CCC2", "label": -1}, "4831": {"pro_comp_id": 2788, "tar_path": "AXL_P30530.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "AXL_P30530_314_lig_smina_out.mol2", "protac_path": "2788_protac.mol2", "smiles": "NC1=NC(NC2=CC=C(CNC(=O)CCCNC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C2)=NN1C1=CC2=C(N=N1)C1=CC=CC=C1CCC2", "label": -1}, "4832": {"pro_comp_id": 2789, "tar_path": "AXL_P30530.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "AXL_P30530_314_lig_smina_out.mol2", "protac_path": "2789_protac.mol2", "smiles": "NC1=NC(NC2=CC=C(CNC(=O)CCCCNC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C2)=NN1C1=CC2=C(N=N1)C1=CC=CC=C1CCC2", "label": -1}, "4833": {"pro_comp_id": 2790, "tar_path": "AXL_P30530.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "AXL_P30530_314_lig_smina_out.mol2", "protac_path": "2790_protac.mol2", "smiles": "NC1=NC(NC2=CC=C(CNC(=O)CCCCCNC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C2)=NN1C1=CC2=C(N=N1)C1=CC=CC=C1CCC2", "label": -1}, "4834": {"pro_comp_id": 2791, "tar_path": "AXL_P30530.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "AXL_P30530_314_lig_smina_out.mol2", "protac_path": "2791_protac.mol2", "smiles": "NC1=NC(NC2=CC=C(CNC(=O)CCCCCCNC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C2)=NN1C1=CC2=C(N=N1)C1=CC=CC=C1CCC2", "label": -1}, "4835": {"pro_comp_id": 2792, "tar_path": "AXL_P30530.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "AXL_P30530_314_lig_smina_out.mol2", "protac_path": "2792_protac.mol2", "smiles": "NC1=NC(NC2=CC=C(CNC(=O)CCCCCCCNC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C2)=NN1C1=CC2=C(N=N1)C1=CC=CC=C1CCC2", "label": -1}, "4836": {"pro_comp_id": 2793, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_315_lig_smina_out.mol2", "protac_path": "2793_protac.mol2", "smiles": "CCOC(=O)C1=C(C(C(=O)NC(C)(C)C)N(CC2=CC=CC=C2)C(=O)CCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C2=CC=C(Cl)C=C2[NH]1", "label": -1}, "4837": {"pro_comp_id": 2794, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_315_lig_smina_out.mol2", "protac_path": "2794_protac.mol2", "smiles": "CCOC(=O)C1=C(C(C(=O)NC(C)(C)C)N(CC2=CC=CC=C2)C(=O)CCCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C2=CC=C(Cl)C=C2[NH]1", "label": -1}, "4838": {"pro_comp_id": 2795, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_315_lig_smina_out.mol2", "protac_path": "2795_protac.mol2", "smiles": "CCOC(=O)C1=C(C(C(=O)NC(C)(C)C)N(CC2=CC=CC=C2)C(=O)CCCCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C2=CC=C(Cl)C=C2[NH]1", "label": -1}, "4839": {"pro_comp_id": 2796, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_315_lig_smina_out.mol2", "protac_path": "2796_protac.mol2", "smiles": "CCOC(=O)C1=C(C(C(=O)NC(C)(C)C)N(CC2=CC=C(Cl)C=C2)C(=O)CCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C2=CC=C(Cl)C=C2[NH]1", "label": -1}, "4840": {"pro_comp_id": 2797, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_315_lig_smina_out.mol2", "protac_path": "2797_protac.mol2", "smiles": "CCOC(=O)C1=C(C(C(=O)NC(C)(C)C)N(CC2=CC=C(Cl)C=C2)C(=O)CCCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C2=CC=C(Cl)C=C2[NH]1", "label": -1}, "4841": {"pro_comp_id": 2798, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_315_lig_smina_out.mol2", "protac_path": "2798_protac.mol2", "smiles": "CCOC(=O)C1=C(C(C(=O)NC(C)(C)C)N(CC2=CC=C(Cl)C=C2)C(=O)CCCCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C2=CC=C(Cl)C=C2[NH]1", "label": -1}, "4842": {"pro_comp_id": 2799, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_315_lig_smina_out.mol2", "protac_path": "2799_protac.mol2", "smiles": "CCOC(=O)C1=C(C(C(=O)NC(C)(C)C)N(CC2=CC(F)=C(F)C(F)=C2)C(=O)CCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C2=CC=C(Cl)C=C2[NH]1", "label": -1}, "4843": {"pro_comp_id": 2800, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_315_lig_smina_out.mol2", "protac_path": "2800_protac.mol2", "smiles": "CCOC(=O)C1=C(C(C(=O)NC(C)(C)C)N(CC2=CC(F)=C(F)C(F)=C2)C(=O)CCCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C2=CC=C(Cl)C=C2[NH]1", "label": -1}, "4844": {"pro_comp_id": 2801, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_315_lig_smina_out.mol2", "protac_path": "2801_protac.mol2", "smiles": "CCOC(=O)C1=C(C(C(=O)NC(C)(C)C)N(CC2=CC(F)=C(F)C(F)=C2)C(=O)CCCCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C2=CC=C(Cl)C=C2[NH]1", "label": 1}, "4845": {"pro_comp_id": 2802, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_315_lig_smina_out.mol2", "protac_path": "2802_protac.mol2", "smiles": "CCOC(=O)C1=C(C(C(=O)NC(C)(C)C)N(CC2=CC(F)=C(F)C(F)=C2)C(=O)CCCCCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C2=CC=C(Cl)C=C2[NH]1", "label": -1}, "4846": {"pro_comp_id": 2803, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_315_lig_smina_out.mol2", "protac_path": "2803_protac.mol2", "smiles": "CCOC(=O)C1=C(C(C(=O)NC(C)(C)C)N(CC2=CC(F)=C(F)C(F)=C2)C(=O)CCCCCCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C2=CC=C(Cl)C=C2[NH]1", "label": -1}, "4847": {"pro_comp_id": 2804, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_315_lig_smina_out.mol2", "protac_path": "2804_protac.mol2", "smiles": "CCOC(=O)C1=C(C(C(=O)NC(C)(C)C)N(CC2=CC(F)=C(F)C(F)=C2)C(=O)CCCCCCCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C2=CC=C(Cl)C=C2[NH]1", "label": -1}, "4848": {"pro_comp_id": 2805, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_315_lig_smina_out.mol2", "protac_path": "2805_protac.mol2", "smiles": "CCOC(=O)C1=C(C(C(=O)NC(C)(C)C)N(CC2=CC(F)=C(F)C(F)=C2)C(=O)CCCCCCCCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C2=CC=C(Cl)C=C2[NH]1", "label": -1}, "4849": {"pro_comp_id": 2806, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_315_lig_smina_out.mol2", "protac_path": "2806_protac.mol2", "smiles": "CC(C)(C)NC(=O)C(C1=C(C(=O)O)[NH]C2=CC(Cl)=CC=C12)N(CC1=CC(F)=C(F)C(F)=C1)C(=O)CCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O", "label": -1}, "4850": {"pro_comp_id": 2807, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_315_lig_smina_out.mol2", "protac_path": "2807_protac.mol2", "smiles": "CCNC(=O)C1=C(C(C(=O)NC(C)(C)C)N(CC2=CC(F)=C(F)C(F)=C2)C(=O)CCCCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C2=CC=C(Cl)C=C2[NH]1", "label": -1}, "4851": {"pro_comp_id": 2808, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_315_lig_smina_out.mol2", "protac_path": "2808_protac.mol2", "smiles": "CC(C)(C)NC(=O)C(C1=C(C(=O)NCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)[NH]C2=CC(Cl)=CC=C12)N(C=O)CC1=CC(F)=C(F)C(F)=C1", "label": -1}, "4852": {"pro_comp_id": 2809, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_315_lig_smina_out.mol2", "protac_path": "2809_protac.mol2", "smiles": "CC(C)(C)NC(=O)C(C1=C(C(=O)NCCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)[NH]C2=CC(Cl)=CC=C12)N(C=O)CC1=CC(F)=C(F)C(F)=C1", "label": -1}, "4853": {"pro_comp_id": 2810, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_315_lig_smina_out.mol2", "protac_path": "2810_protac.mol2", "smiles": "CC(C)(C)NC(=O)C(C1=C(C(=O)NCCCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)[NH]C2=CC(Cl)=CC=C12)N(C=O)CC1=CC(F)=C(F)C(F)=C1", "label": -1}, "4854": {"pro_comp_id": 2811, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_315_lig_smina_out.mol2", "protac_path": "2811_protac.mol2", "smiles": "CC(C)(C)NC(=O)C(C1=C(C(=O)NCCCCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)[NH]C2=CC(Cl)=CC=C12)N(C=O)CC1=CC(F)=C(F)C(F)=C1", "label": -1}, "4855": {"pro_comp_id": 2812, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_315_lig_smina_out.mol2", "protac_path": "2812_protac.mol2", "smiles": "CCOC(=O)C1=C(C(C(=O)NC(C)(C)C)N(CC2=CC(F)=C(F)C(F)=C2)C(=O)C2=CC=CC(C#CC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)=C2)C2=CC=C(Cl)C=C2[NH]1", "label": -1}, "4856": {"pro_comp_id": 2813, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_315_lig_smina_out.mol2", "protac_path": "2813_protac.mol2", "smiles": "CCOC(=O)C1=C(C(C(=O)NC(C)(C)C)N(CC2=CC(F)=C(F)C(F)=C2)C(=O)C2=CC=C(C#CC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C2)C2=CC=C(Cl)C=C2[NH]1", "label": -1}, "4857": {"pro_comp_id": 2814, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_315_lig_smina_out.mol2", "protac_path": "2814_protac.mol2", "smiles": "CCOC(=O)C1=C(C(C(=O)NC(C)(C)C)N(CC2=CC(F)=C(F)C(F)=C2)C(=O)C2=CC=CC(NC(=O)CCC#CC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)=C2)C2=CC=C(Cl)C=C2[NH]1", "label": -1}, "4858": {"pro_comp_id": 2815, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_315_lig_smina_out.mol2", "protac_path": "2815_protac.mol2", "smiles": "CCOC(=O)C1=C(C(C(=O)NC(C)(C)C)N(CC2=CC(F)=C(F)C(F)=C2)C(=O)C2=CC=CC(NC(=O)CCCC#CC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)=C2)C2=CC=C(Cl)C=C2[NH]1", "label": -1}, "4859": {"pro_comp_id": 2816, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_315_lig_smina_out.mol2", "protac_path": "2816_protac.mol2", "smiles": "CCOC(=O)C1=C(C(C(=O)NC(C)(C)C)N(CC2=CC(F)=C(F)C(F)=C2)C(=O)C2=CC=CC(NC(=O)CCCCC#CC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)=C2)C2=CC=C(Cl)C=C2[NH]1", "label": -1}, "4860": {"pro_comp_id": 2817, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_315_lig_smina_out.mol2", "protac_path": "2817_protac.mol2", "smiles": "CCOC(=O)C1=C(C(C(=O)NC(C)(C)C)N(CC2=CC(F)=C(F)C(F)=C2)C(=O)C2=CC=C(NC(=O)CCC#CC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C2)C2=CC=C(Cl)C=C2[NH]1", "label": -1}, "4861": {"pro_comp_id": 2818, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_315_lig_smina_out.mol2", "protac_path": "2818_protac.mol2", "smiles": "CCOC(=O)C1=C(C(C(=O)NC(C)(C)C)N(CC2=CC(F)=C(F)C(F)=C2)C(=O)C2=CC=C(NC(=O)CCCC#CC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C2)C2=CC=C(Cl)C=C2[NH]1", "label": -1}, "4862": {"pro_comp_id": 2819, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_315_lig_smina_out.mol2", "protac_path": "2819_protac.mol2", "smiles": "CCOC(=O)C1=C(C(C(=O)NC(C)(C)C)N(CC2=CC(F)=C(F)C(F)=C2)C(=O)C2=CC=C(NC(=O)CCCCC#CC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C2)C2=CC=C(Cl)C=C2[NH]1", "label": -1}, "4863": {"pro_comp_id": 2820, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_315_lig_smina_out.mol2", "protac_path": "2820_protac.mol2", "smiles": "CCOC(=O)C1=C(C(C(=O)NC(C)(C)C)N(CC2=CC(F)=C(F)C(F)=C2)C(=O)C2=CC=CC(OCC#CC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)=C2)C2=CC=C(Cl)C=C2[NH]1", "label": -1}, "4864": {"pro_comp_id": 2821, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_315_lig_smina_out.mol2", "protac_path": "2821_protac.mol2", "smiles": "CCOC(=O)C1=C(C(C(=O)NC(C)(C)C)N(CC2=CC(F)=C(F)C(F)=C2)C(=O)C2=CC=CC(OCCC#CC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)=C2)C2=CC=C(Cl)C=C2[NH]1", "label": -1}, "4865": {"pro_comp_id": 2822, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_315_lig_smina_out.mol2", "protac_path": "2822_protac.mol2", "smiles": "CCOC(=O)C1=C(C(C(=O)NC(C)(C)C)N(CC)C(=O)CCCCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C2=CC=C(Cl)C=C2[NH]1", "label": -1}, "4866": {"pro_comp_id": 2823, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_315_lig_smina_out.mol2", "protac_path": "2823_protac.mol2", "smiles": "CCN(C(=O)CCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C(C(=O)NC(C)(C)C)C1=CC=C(Cl)C=C1", "label": -1}, "4867": {"pro_comp_id": 2824, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_315_lig_smina_out.mol2", "protac_path": "2824_protac.mol2", "smiles": "CC(C)(C)NC(=O)C(C1=CC=C(Cl)C=C1)N(CC1=CC(F)=C(F)C(F)=C1)C(=O)CCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O", "label": -1}, "4868": {"pro_comp_id": 2825, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_315_lig_smina_out.mol2", "protac_path": "2825_protac.mol2", "smiles": "CC(C)C(C(=O)NC(C)(C)C)N(CC1=CC(F)=C(F)C(F)=C1)C(=O)CCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O", "label": -1}, "4869": {"pro_comp_id": 2826, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_315_lig_smina_out.mol2", "protac_path": "2826_protac.mol2", "smiles": "CC(C)(C)NC(=O)C(C1CCCCC1)N(CC1=CC(F)=C(F)C(F)=C1)C(=O)CCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O", "label": -1}, "4870": {"pro_comp_id": 2827, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_315_lig_smina_out.mol2", "protac_path": "2827_protac.mol2", "smiles": "CCOC(=O)C1=C(CN(CC2=CC(F)=C(F)C(F)=C2)C(=O)CCCCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C2=CC=C(Cl)C=C2[NH]1", "label": -1}, "4871": {"pro_comp_id": 2828, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_315_lig_smina_out.mol2", "protac_path": "2828_protac.mol2", "smiles": "O=C1CCC(N2CC3=C(C#CCCCCC(=O)N(CC4=CC=C(Cl)C=C4)CC4=CC(F)=C(F)C(F)=C4)C=CC=C3C2=O)C(=O)N1", "label": -1}, "4872": {"pro_comp_id": 2829, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_316_lig_smina_out.mol2", "protac_path": "2829_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCCN3CCC[C@H]3COC3=NC4=C(CCN(C5=CC=CC6=CC=CC(Cl)=C56)C4)C(N4CCN(C(=O)/C(C#N)=C\\C5CC5)[C@@H](CC#N)C4)=N3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "4873": {"pro_comp_id": 2830, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_317_lig_smina_out.mol2", "protac_path": "2830_protac.mol2", "smiles": "O=C(CNC1=NC=NC2=C1C(C(=O)C1=CC=C(OC3=CC=CC=C3)C=C1Cl)=C[NH]2)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "4874": {"pro_comp_id": 2830, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_317_lig_smina_out.mol2", "protac_path": "2830_protac.mol2", "smiles": "O=C(CNC1=NC=NC2=C1C(C(=O)C1=CC=C(OC3=CC=CC=C3)C=C1Cl)=C[NH]2)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "4875": {"pro_comp_id": 2831, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_317_lig_smina_out.mol2", "protac_path": "2831_protac.mol2", "smiles": "O=C(CNC1=NC=NC2=C1C(C(=O)C1=CC=C(OC3=CC=CC=C3)C=C1Cl)=C[NH]2)NCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "4876": {"pro_comp_id": 2831, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_317_lig_smina_out.mol2", "protac_path": "2831_protac.mol2", "smiles": "O=C(CNC1=NC=NC2=C1C(C(=O)C1=CC=C(OC3=CC=CC=C3)C=C1Cl)=C[NH]2)NCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "4877": {"pro_comp_id": 2832, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_317_lig_smina_out.mol2", "protac_path": "2832_protac.mol2", "smiles": "O=C(CNC1=NC=NC2=C1C(C(=O)C1=CC=C(OC3=CC=CC=C3)C=C1Cl)=C[NH]2)NCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "4878": {"pro_comp_id": 2832, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_317_lig_smina_out.mol2", "protac_path": "2832_protac.mol2", "smiles": "O=C(CNC1=NC=NC2=C1C(C(=O)C1=CC=C(OC3=CC=CC=C3)C=C1Cl)=C[NH]2)NCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "4879": {"pro_comp_id": 2833, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_317_lig_smina_out.mol2", "protac_path": "2833_protac.mol2", "smiles": "O=C(CNC1=NC=NC2=C1C(C(=O)C1=CC=C(OC3=CC=CC=C3)C=C1Cl)=C[NH]2)NCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 0}, "4880": {"pro_comp_id": 2833, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_317_lig_smina_out.mol2", "protac_path": "2833_protac.mol2", "smiles": "O=C(CNC1=NC=NC2=C1C(C(=O)C1=CC=C(OC3=CC=CC=C3)C=C1Cl)=C[NH]2)NCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "4881": {"pro_comp_id": 2834, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_317_lig_smina_out.mol2", "protac_path": "2834_protac.mol2", "smiles": "O=C(CNC1=NC=NC2=C1C(C(=O)C1=CC=C(OC3=CC=CC=C3)C=C1Cl)=C[NH]2)NCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 0}, "4882": {"pro_comp_id": 2834, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_317_lig_smina_out.mol2", "protac_path": "2834_protac.mol2", "smiles": "O=C(CNC1=NC=NC2=C1C(C(=O)C1=CC=C(OC3=CC=CC=C3)C=C1Cl)=C[NH]2)NCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 0}, "4883": {"pro_comp_id": 2835, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_317_lig_smina_out.mol2", "protac_path": "2835_protac.mol2", "smiles": "O=C(CNC1=NC=NC2=C1C(C(=O)C1=CC=C(OC3=CC=CC=C3)C=C1Cl)=C[NH]2)NCCOCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 0}, "4884": {"pro_comp_id": 2835, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_317_lig_smina_out.mol2", "protac_path": "2835_protac.mol2", "smiles": "O=C(CNC1=NC=NC2=C1C(C(=O)C1=CC=C(OC3=CC=CC=C3)C=C1Cl)=C[NH]2)NCCOCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 1}, "4885": {"pro_comp_id": 2836, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_317_lig_smina_out.mol2", "protac_path": "2836_protac.mol2", "smiles": "O=C(CNC1=NC=NC2=C1C(C(=O)C1=CC=C(OC3=CC=CC=C3)C=C1Cl)=C[NH]2)NCCOCCOCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 1}, "4886": {"pro_comp_id": 2836, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_317_lig_smina_out.mol2", "protac_path": "2836_protac.mol2", "smiles": "O=C(CNC1=NC=NC2=C1C(C(=O)C1=CC=C(OC3=CC=CC=C3)C=C1Cl)=C[NH]2)NCCOCCOCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": 1}, "4887": {"pro_comp_id": 2837, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_317_lig_smina_out.mol2", "protac_path": "2837_protac.mol2", "smiles": "O=C(CNC1=NC=NC2=C1C(C(=O)C1=CC=C(OC3=CC=CC=C3)C=C1Cl)=C[NH]2)NCCOCCOCCOCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "4888": {"pro_comp_id": 2837, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_317_lig_smina_out.mol2", "protac_path": "2837_protac.mol2", "smiles": "O=C(CNC1=NC=NC2=C1C(C(=O)C1=CC=C(OC3=CC=CC=C3)C=C1Cl)=C[NH]2)NCCOCCOCCOCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "4889": {"pro_comp_id": 2838, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_318_lig_smina_out.mol2", "protac_path": "2838_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCNC(=O)N[C@H]4CC[C@@H](NC5=NC=NC6=C5C(C(=O)C5=CC=C(OC7=CC=CC=C7)C=C5Cl)=C[NH]6)CC4)=C3C2=O)C(=O)N1", "label": -1}, "4890": {"pro_comp_id": 2838, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_318_lig_smina_out.mol2", "protac_path": "2838_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCNC(=O)N[C@H]4CC[C@@H](NC5=NC=NC6=C5C(C(=O)C5=CC=C(OC7=CC=CC=C7)C=C5Cl)=C[NH]6)CC4)=C3C2=O)C(=O)N1", "label": -1}, "4891": {"pro_comp_id": 2839, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_318_lig_smina_out.mol2", "protac_path": "2839_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCNC(=O)N[C@H]4CC[C@@H](NC5=NC=NC6=C5C(C(=O)C5=CC=C(OC7=CC=CC=C7)C=C5Cl)=C[NH]6)CC4)=C3C2=O)C(=O)N1", "label": -1}, "4892": {"pro_comp_id": 2839, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_318_lig_smina_out.mol2", "protac_path": "2839_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCNC(=O)N[C@H]4CC[C@@H](NC5=NC=NC6=C5C(C(=O)C5=CC=C(OC7=CC=CC=C7)C=C5Cl)=C[NH]6)CC4)=C3C2=O)C(=O)N1", "label": -1}, "4893": {"pro_comp_id": 2840, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_318_lig_smina_out.mol2", "protac_path": "2840_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCNC(=O)N[C@H]4CC[C@@H](NC5=NC=NC6=C5C(C(=O)C5=CC=C(OC7=CC=CC=C7)C=C5Cl)=C[NH]6)CC4)=C3C2=O)C(=O)N1", "label": 0}, "4894": {"pro_comp_id": 2840, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_318_lig_smina_out.mol2", "protac_path": "2840_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCNC(=O)N[C@H]4CC[C@@H](NC5=NC=NC6=C5C(C(=O)C5=CC=C(OC7=CC=CC=C7)C=C5Cl)=C[NH]6)CC4)=C3C2=O)C(=O)N1", "label": 1}, "4895": {"pro_comp_id": 2841, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_318_lig_smina_out.mol2", "protac_path": "2841_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOCCNC(=O)N[C@H]4CC[C@@H](NC5=NC=NC6=C5C(C(=O)C5=CC=C(OC7=CC=CC=C7)C=C5Cl)=C[NH]6)CC4)=C3C2=O)C(=O)N1", "label": 0}, "4896": {"pro_comp_id": 2841, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_318_lig_smina_out.mol2", "protac_path": "2841_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOCCNC(=O)N[C@H]4CC[C@@H](NC5=NC=NC6=C5C(C(=O)C5=CC=C(OC7=CC=CC=C7)C=C5Cl)=C[NH]6)CC4)=C3C2=O)C(=O)N1", "label": 1}, "4897": {"pro_comp_id": 2842, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_318_lig_smina_out.mol2", "protac_path": "2842_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOCCOCCNC(=O)N[C@H]4CC[C@@H](NC5=NC=NC6=C5C(C(=O)C5=CC=C(OC7=CC=CC=C7)C=C5Cl)=C[NH]6)CC4)=C3C2=O)C(=O)N1", "label": 1}, "4898": {"pro_comp_id": 2842, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_318_lig_smina_out.mol2", "protac_path": "2842_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOCCOCCNC(=O)N[C@H]4CC[C@@H](NC5=NC=NC6=C5C(C(=O)C5=CC=C(OC7=CC=CC=C7)C=C5Cl)=C[NH]6)CC4)=C3C2=O)C(=O)N1", "label": 1}, "4899": {"pro_comp_id": 2842, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_318_lig_smina_out.mol2", "protac_path": "2842_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOCCOCCNC(=O)N[C@H]4CC[C@@H](NC5=NC=NC6=C5C(C(=O)C5=CC=C(OC7=CC=CC=C7)C=C5Cl)=C[NH]6)CC4)=C3C2=O)C(=O)N1", "label": -1}, "4900": {"pro_comp_id": 2843, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_319_lig_smina_out.mol2", "protac_path": "2843_protac.mol2", "smiles": "O=C(CCCO/N=C1C(=C2/C(=O)N(CC3=CN(CCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C3=CC=CC=C23)/NC2=CC=CC=C/12)NO", "label": 0}, "4901": {"pro_comp_id": 2844, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_319_lig_smina_out.mol2", "protac_path": "2844_protac.mol2", "smiles": "O=C(CCCO/N=C1C(=C2/C(=O)N(CC3=CN(CCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C3=CC=CC=C23)/NC2=CC=CC=C/12)NO", "label": 0}, "4902": {"pro_comp_id": 2845, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_319_lig_smina_out.mol2", "protac_path": "2845_protac.mol2", "smiles": "O=C(CCCO/N=C1C(=C2/C(=O)N(CC3=CN(CCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C3=CC=CC=C23)/NC2=CC=CC=C/12)NO", "label": 0}, "4903": {"pro_comp_id": 2846, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_319_lig_smina_out.mol2", "protac_path": "2846_protac.mol2", "smiles": "O=C(CCCO/N=C1C(=C2/C(=O)N(CC3=CN(CCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C3=CC=CC=C23)/NC2=CC=CC=C/12)NO", "label": 0}, "4904": {"pro_comp_id": 2847, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_319_lig_smina_out.mol2", "protac_path": "2847_protac.mol2", "smiles": "O=C(CCCO/N=C1C(=C2/C(=O)N(CC3=CN(CCOCCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C3=CC=CC=C23)/NC2=CC=CC=C/12)NO", "label": 0}, "4905": {"pro_comp_id": 2848, "tar_path": "JAK2_O60674.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "JAK2_O60674_320_lig_smina_out.mol2", "protac_path": "2848_protac.mol2", "smiles": "CCS(=O)(=O)N1CC(CC#N)(N2C=C(C3=NC(NC4=CC=C(C(=O)NCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C=C4)=NC4=C3C=C[NH]4)C=N2)C1", "label": -1}, "4906": {"pro_comp_id": 2848, "tar_path": "JAK3_P52333.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "JAK3_P52333_320_lig_smina_out.mol2", "protac_path": "2848_protac.mol2", "smiles": "CCS(=O)(=O)N1CC(CC#N)(N2C=C(C3=NC(NC4=CC=C(C(=O)NCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C=C4)=NC4=C3C=C[NH]4)C=N2)C1", "label": -1}, "4907": {"pro_comp_id": 2848, "tar_path": "JAK2_O60674.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "JAK2_O60674_320_lig_smina_out.mol2", "protac_path": "2848_protac.mol2", "smiles": "CCS(=O)(=O)N1CC(CC#N)(N2C=C(C3=NC(NC4=CC=C(C(=O)NCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C=C4)=NC4=C3C=C[NH]4)C=N2)C1", "label": -1}, "4908": {"pro_comp_id": 2849, "tar_path": "JAK2_O60674.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "JAK2_O60674_320_lig_smina_out.mol2", "protac_path": "2849_protac.mol2", "smiles": "CCS(=O)(=O)N1CC(CC#N)(N2C=C(C3=NC(NC4=CC=C(C(=O)NCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C=C4)=NC4=C3C=C[NH]4)C=N2)C1", "label": -1}, "4909": {"pro_comp_id": 2849, "tar_path": "JAK3_P52333.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "JAK3_P52333_320_lig_smina_out.mol2", "protac_path": "2849_protac.mol2", "smiles": "CCS(=O)(=O)N1CC(CC#N)(N2C=C(C3=NC(NC4=CC=C(C(=O)NCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C=C4)=NC4=C3C=C[NH]4)C=N2)C1", "label": -1}, "4910": {"pro_comp_id": 2850, "tar_path": "JAK2_O60674.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "JAK2_O60674_320_lig_smina_out.mol2", "protac_path": "2850_protac.mol2", "smiles": "CCS(=O)(=O)N1CC(CC#N)(N2C=C(C3=NC(NC4=CC=C(C(=O)NC5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)C=C4)=NC4=C3C=C[NH]4)C=N2)C1", "label": 1}, "4911": {"pro_comp_id": 2850, "tar_path": "JAK3_P52333.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "JAK3_P52333_320_lig_smina_out.mol2", "protac_path": "2850_protac.mol2", "smiles": "CCS(=O)(=O)N1CC(CC#N)(N2C=C(C3=NC(NC4=CC=C(C(=O)NC5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)C=C4)=NC4=C3C=C[NH]4)C=N2)C1", "label": -1}, "4912": {"pro_comp_id": 2851, "tar_path": "JAK2_O60674.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "JAK2_O60674_320_lig_smina_out.mol2", "protac_path": "2851_protac.mol2", "smiles": "CCS(=O)(=O)N1CC(CC#N)(N2C=C(C3=NC(NC4=CC=C(C(=O)NCCN5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)C=C4)=NC4=C3C=C[NH]4)C=N2)C1", "label": -1}, "4913": {"pro_comp_id": 2851, "tar_path": "JAK3_P52333.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "JAK3_P52333_320_lig_smina_out.mol2", "protac_path": "2851_protac.mol2", "smiles": "CCS(=O)(=O)N1CC(CC#N)(N2C=C(C3=NC(NC4=CC=C(C(=O)NCCN5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)C=C4)=NC4=C3C=C[NH]4)C=N2)C1", "label": -1}, "4914": {"pro_comp_id": 2851, "tar_path": "JAK2_O60674.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "JAK2_O60674_320_lig_smina_out.mol2", "protac_path": "2851_protac.mol2", "smiles": "CCS(=O)(=O)N1CC(CC#N)(N2C=C(C3=NC(NC4=CC=C(C(=O)NCCN5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)C=C4)=NC4=C3C=C[NH]4)C=N2)C1", "label": -1}, "4915": {"pro_comp_id": 2852, "tar_path": "JAK2_O60674.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_74_lig_smina_out.mol2", "war_path": "JAK2_O60674_320_lig_smina_out.mol2", "protac_path": "2852_protac.mol2", "smiles": "CCS(=O)(=O)N1CC(CC#N)(N2C=C(C3=NC(NC4=CC=C(C(=O)NCCCCNC5=CC=CC(C6CCC(=O)NC6=O)=C5)C=C4)=NC4=C3C=C[NH]4)C=N2)C1", "label": 1}, "4916": {"pro_comp_id": 2852, "tar_path": "JAK3_P52333.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_74_lig_smina_out.mol2", "war_path": "JAK3_P52333_320_lig_smina_out.mol2", "protac_path": "2852_protac.mol2", "smiles": "CCS(=O)(=O)N1CC(CC#N)(N2C=C(C3=NC(NC4=CC=C(C(=O)NCCCCNC5=CC=CC(C6CCC(=O)NC6=O)=C5)C=C4)=NC4=C3C=C[NH]4)C=N2)C1", "label": -1}, "4917": {"pro_comp_id": 2853, "tar_path": "JAK2_O60674.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_74_lig_smina_out.mol2", "war_path": "JAK2_O60674_320_lig_smina_out.mol2", "protac_path": "2853_protac.mol2", "smiles": "CCS(=O)(=O)N1CC(CC#N)(N2C=C(C3=NC(NC4=CC=C(C(=O)NCCCCOC5=CC=C(C6CCC(=O)NC6=O)C=C5)C=C4)=NC4=C3C=C[NH]4)C=N2)C1", "label": 1}, "4918": {"pro_comp_id": 2853, "tar_path": "JAK3_P52333.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_74_lig_smina_out.mol2", "war_path": "JAK3_P52333_320_lig_smina_out.mol2", "protac_path": "2853_protac.mol2", "smiles": "CCS(=O)(=O)N1CC(CC#N)(N2C=C(C3=NC(NC4=CC=C(C(=O)NCCCCOC5=CC=C(C6CCC(=O)NC6=O)C=C5)C=C4)=NC4=C3C=C[NH]4)C=N2)C1", "label": -1}, "4919": {"pro_comp_id": 2854, "tar_path": "JAK2_O60674.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_74_lig_smina_out.mol2", "war_path": "JAK2_O60674_320_lig_smina_out.mol2", "protac_path": "2854_protac.mol2", "smiles": "CCS(=O)(=O)N1CC(CC#N)(N2C=C(C3=NC(NC4=CC=C(C(=O)NCCCCOC5=CC=CC(C6CCC(=O)NC6=O)=C5)C=C4)=NC4=C3C=C[NH]4)C=N2)C1", "label": -1}, "4920": {"pro_comp_id": 2854, "tar_path": "JAK3_P52333.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_74_lig_smina_out.mol2", "war_path": "JAK3_P52333_320_lig_smina_out.mol2", "protac_path": "2854_protac.mol2", "smiles": "CCS(=O)(=O)N1CC(CC#N)(N2C=C(C3=NC(NC4=CC=C(C(=O)NCCCCOC5=CC=CC(C6CCC(=O)NC6=O)=C5)C=C4)=NC4=C3C=C[NH]4)C=N2)C1", "label": -1}, "4921": {"pro_comp_id": 2855, "tar_path": "JAK2_O60674.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_74_lig_smina_out.mol2", "war_path": "JAK2_O60674_320_lig_smina_out.mol2", "protac_path": "2855_protac.mol2", "smiles": "CCS(=O)(=O)N1CC(CC#N)(N2C=C(C3=NC(NC4=CC=C(C(=O)NC5CCN(C6=CC=C(C7CCC(=O)NC7=O)C=C6)CC5)C=C4)=NC4=C3C=C[NH]4)C=N2)C1", "label": 1}, "4922": {"pro_comp_id": 2855, "tar_path": "JAK3_P52333.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_74_lig_smina_out.mol2", "war_path": "JAK3_P52333_320_lig_smina_out.mol2", "protac_path": "2855_protac.mol2", "smiles": "CCS(=O)(=O)N1CC(CC#N)(N2C=C(C3=NC(NC4=CC=C(C(=O)NC5CCN(C6=CC=C(C7CCC(=O)NC7=O)C=C6)CC5)C=C4)=NC4=C3C=C[NH]4)C=N2)C1", "label": -1}, "4923": {"pro_comp_id": 2856, "tar_path": "JAK2_O60674.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_74_lig_smina_out.mol2", "war_path": "JAK2_O60674_320_lig_smina_out.mol2", "protac_path": "2856_protac.mol2", "smiles": "CCS(=O)(=O)N1CC(CC#N)(N2C=C(C3=NC(NC4=CC=C(C(=O)NCCN5CCN(C6=CC=C(C7CCC(=O)NC7=O)C=C6)CC5)C=C4)=NC4=C3C=C[NH]4)C=N2)C1", "label": -1}, "4924": {"pro_comp_id": 2856, "tar_path": "JAK3_P52333.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_74_lig_smina_out.mol2", "war_path": "JAK3_P52333_320_lig_smina_out.mol2", "protac_path": "2856_protac.mol2", "smiles": "CCS(=O)(=O)N1CC(CC#N)(N2C=C(C3=NC(NC4=CC=C(C(=O)NCCN5CCN(C6=CC=C(C7CCC(=O)NC7=O)C=C6)CC5)C=C4)=NC4=C3C=C[NH]4)C=N2)C1", "label": -1}, "4925": {"pro_comp_id": 2857, "tar_path": "JAK3_P52333.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_74_lig_smina_out.mol2", "war_path": "JAK3_P52333_320_lig_smina_out.mol2", "protac_path": "2857_protac.mol2", "smiles": "CCS(=O)(=O)N1CC(CC#N)(N2C=C(C3=NC(NC4=CC=C(C(=O)NCCCN5CCN(C6=CC=C(C7CCC(=O)NC7=O)C=C6)CC5)C=C4)=NC4=C3C=C[NH]4)C=N2)C1", "label": 1}, "4926": {"pro_comp_id": 2857, "tar_path": "JAK2_O60674.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_74_lig_smina_out.mol2", "war_path": "JAK2_O60674_320_lig_smina_out.mol2", "protac_path": "2857_protac.mol2", "smiles": "CCS(=O)(=O)N1CC(CC#N)(N2C=C(C3=NC(NC4=CC=C(C(=O)NCCCN5CCN(C6=CC=C(C7CCC(=O)NC7=O)C=C6)CC5)C=C4)=NC4=C3C=C[NH]4)C=N2)C1", "label": 1}, "4927": {"pro_comp_id": 2857, "tar_path": "JAK2_O60674.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_74_lig_smina_out.mol2", "war_path": "JAK2_O60674_320_lig_smina_out.mol2", "protac_path": "2857_protac.mol2", "smiles": "CCS(=O)(=O)N1CC(CC#N)(N2C=C(C3=NC(NC4=CC=C(C(=O)NCCCN5CCN(C6=CC=C(C7CCC(=O)NC7=O)C=C6)CC5)C=C4)=NC4=C3C=C[NH]4)C=N2)C1", "label": 1}, "4928": {"pro_comp_id": 2858, "tar_path": "JAK2_O60674.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_74_lig_smina_out.mol2", "war_path": "JAK2_O60674_320_lig_smina_out.mol2", "protac_path": "2858_protac.mol2", "smiles": "CCS(=O)(=O)N1CC(CC#N)(N2C=C(C3=C4C=C[NH]C4=NC(NC4=CC=C(C(=O)NCCCN5CC6CC5CN6C5=CC=C(C6CCC(=O)NC6=O)C=C5)C=C4)=N3)C=N2)C1", "label": -1}, "4929": {"pro_comp_id": 2858, "tar_path": "JAK3_P52333.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_74_lig_smina_out.mol2", "war_path": "JAK3_P52333_320_lig_smina_out.mol2", "protac_path": "2858_protac.mol2", "smiles": "CCS(=O)(=O)N1CC(CC#N)(N2C=C(C3=C4C=C[NH]C4=NC(NC4=CC=C(C(=O)NCCCN5CC6CC5CN6C5=CC=C(C6CCC(=O)NC6=O)C=C5)C=C4)=N3)C=N2)C1", "label": -1}, "4930": {"pro_comp_id": 2859, "tar_path": "JAK2_O60674.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_74_lig_smina_out.mol2", "war_path": "JAK2_O60674_320_lig_smina_out.mol2", "protac_path": "2859_protac.mol2", "smiles": "CCS(=O)(=O)N1CC(CC#N)(N2C=C(C3=NC(NC4=CC=C(C(=O)NCCCN5CCC6(CC5)CCN(C5=CC=C(C7CCC(=O)NC7=O)C=C5)CC6)C=C4)=NC4=C3C=C[NH]4)C=N2)C1", "label": -1}, "4931": {"pro_comp_id": 2859, "tar_path": "JAK3_P52333.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_74_lig_smina_out.mol2", "war_path": "JAK3_P52333_320_lig_smina_out.mol2", "protac_path": "2859_protac.mol2", "smiles": "CCS(=O)(=O)N1CC(CC#N)(N2C=C(C3=NC(NC4=CC=C(C(=O)NCCCN5CCC6(CC5)CCN(C5=CC=C(C7CCC(=O)NC7=O)C=C5)CC6)C=C4)=NC4=C3C=C[NH]4)C=N2)C1", "label": -1}, "4932": {"pro_comp_id": 2860, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_321_lig_smina_out.mol2", "protac_path": "2860_protac.mol2", "smiles": "COC1=CC(C2CCN(CCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2NS(C)(=O)=O)=N1", "label": -1}, "4933": {"pro_comp_id": 2861, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_321_lig_smina_out.mol2", "protac_path": "2861_protac.mol2", "smiles": "COC1=CC(C2CCN(CCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2N(C)S(C)(=O)=O)=N1", "label": -1}, "4934": {"pro_comp_id": 2862, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_64_lig_smina_out.mol2", "protac_path": "2862_protac.mol2", "smiles": "COC1=CC(N2CCN(CCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": -1}, "4935": {"pro_comp_id": 2863, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "EGFR_P00533_299_lig_smina_out.mol2", "protac_path": "2863_protac.mol2", "smiles": "COC1=CC(N2CCN(CCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2S(=O)(=O)C(C)C)=N1", "label": -1}, "4936": {"pro_comp_id": 2864, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_64_lig_smina_out.mol2", "protac_path": "2864_protac.mol2", "smiles": "COC1=CC(N2CCN(CCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": -1}, "4937": {"pro_comp_id": 2865, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_64_lig_smina_out.mol2", "protac_path": "2865_protac.mol2", "smiles": "COC1=CC(N2CCN(CCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": -1}, "4938": {"pro_comp_id": 2866, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_64_lig_smina_out.mol2", "protac_path": "2866_protac.mol2", "smiles": "COC1=CC(N2CCN(CCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": -1}, "4939": {"pro_comp_id": 2867, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_64_lig_smina_out.mol2", "protac_path": "2867_protac.mol2", "smiles": "COC1=CC(N2CCN(CCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": 1}, "4940": {"pro_comp_id": 2867, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_64_lig_smina_out.mol2", "protac_path": "2867_protac.mol2", "smiles": "COC1=CC(N2CCN(CCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": -1}, "4941": {"pro_comp_id": 2867, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_64_lig_smina_out.mol2", "protac_path": "2867_protac.mol2", "smiles": "COC1=CC(N2CCN(CCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": -1}, "4942": {"pro_comp_id": 2868, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_64_lig_smina_out.mol2", "protac_path": "2868_protac.mol2", "smiles": "COC1=CC(N2CCN(CCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": -1}, "4943": {"pro_comp_id": 2869, "tar_path": "STAT3_P40763.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT3_P40763_322_lig_smina_out.mol2", "protac_path": "2869_protac.mol2", "smiles": "NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C(=O)CCCCCC#CC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C[C@H](NC(=O)C3=CC4=CC(C(=O)P(=O)(O)O)=CC=C4[NH]3)C(=O)N12)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1", "label": 1}, "4944": {"pro_comp_id": 2870, "tar_path": "FGFR2_P21802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_60_lig_smina_out.mol2", "war_path": "FGFR2_P21802_323_lig_smina_out.mol2", "protac_path": "2870_protac.mol2", "smiles": "COC1=CC(OC)=C(Cl)C(NC(=O)N(C)C2=CC(NC3=CC=C(N4CCN(CC(=O)NCCCOC5=CC6=C7C(=CC=CC7=C5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)=NC=N2)=C1Cl", "label": -1}, "4945": {"pro_comp_id": 2871, "tar_path": "FGFR2_P21802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FGFR2_P21802_323_lig_smina_out.mol2", "protac_path": "2871_protac.mol2", "smiles": "COC1=CC(OC)=C(Cl)C(NC(=O)N(C)C2=CC(NC3=CC=C(N4CCN(CC(=O)NCCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)=NC=N2)=C1Cl", "label": -1}, "4946": {"pro_comp_id": 2872, "tar_path": "FGFR2_P21802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_60_lig_smina_out.mol2", "war_path": "FGFR2_P21802_323_lig_smina_out.mol2", "protac_path": "2872_protac.mol2", "smiles": "COC1=CC(OC)=C(Cl)C(NC(=O)N(C)C2=CC(NC3=CC=C(N4CCN(CC(=O)NCCCCCCOC5=CC6=C7C(=CC=CC7=C5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)=NC=N2)=C1Cl", "label": -1}, "4947": {"pro_comp_id": 2873, "tar_path": "FGFR2_P21802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_60_lig_smina_out.mol2", "war_path": "FGFR2_P21802_323_lig_smina_out.mol2", "protac_path": "2873_protac.mol2", "smiles": "COC1=CC(OC)=C(Cl)C(NC(=O)N(C)C2=CC(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCOC5=CC6=C7C(=CC=CC7=C5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)=NC=N2)=C1Cl", "label": -1}, "4948": {"pro_comp_id": 2874, "tar_path": "FGFR2_P21802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_60_lig_smina_out.mol2", "war_path": "FGFR2_P21802_323_lig_smina_out.mol2", "protac_path": "2874_protac.mol2", "smiles": "COC1=CC(OC)=C(Cl)C(NC(=O)N(C)C2=CC(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCOCCOC5=CC6=C7C(=CC=CC7=C5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)=NC=N2)=C1Cl", "label": -1}, "4949": {"pro_comp_id": 2875, "tar_path": "FGFR2_P21802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_60_lig_smina_out.mol2", "war_path": "FGFR2_P21802_324_lig_smina_out.mol2", "protac_path": "2875_protac.mol2", "smiles": "CCC(=O)NC1=CC=C(CN2C(=O)N(C3=CC(OC)=CC(OC)=C3)CC3=CN=C(NC4=CC=C(N5CCN(CC(=O)NCCCOC6=CC7=C8C(=CC=CC8=C6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)N=C32)C=C1", "label": -1}, "4950": {"pro_comp_id": 2876, "tar_path": "FGFR2_P21802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FGFR2_P21802_324_lig_smina_out.mol2", "protac_path": "2876_protac.mol2", "smiles": "CCC(=O)NC1=CC=C(CN2C(=O)N(C3=CC(OC)=CC(OC)=C3)CC3=CN=C(NC4=CC=C(N5CCN(CC(=O)NCCCCCOC6=CC7=C8C(=CC=CC8=C6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)N=C32)C=C1", "label": -1}, "4951": {"pro_comp_id": 2877, "tar_path": "FGFR2_P21802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_60_lig_smina_out.mol2", "war_path": "FGFR2_P21802_324_lig_smina_out.mol2", "protac_path": "2877_protac.mol2", "smiles": "CCC(=O)NC1=CC=C(CN2C(=O)N(C3=CC(OC)=CC(OC)=C3)CC3=CN=C(NC4=CC=C(N5CCN(CC(=O)NCCOCCOCCOC6=CC7=C8C(=CC=CC8=C6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)N=C32)C=C1", "label": -1}, "4952": {"pro_comp_id": 2878, "tar_path": "FGFR1_P11362.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "FGFR1_P11362_323_lig_smina_out.mol2", "protac_path": "2878_protac.mol2", "smiles": "COC1=CC(OC)=C(Cl)C(NC(=O)N(C)C2=CC(NC3=CC=C(N4CCN(CC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=C3)=NC=N2)=C1Cl", "label": 1}, "4953": {"pro_comp_id": 2878, "tar_path": "FGFR2_P21802.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "FGFR2_P21802_323_lig_smina_out.mol2", "protac_path": "2878_protac.mol2", "smiles": "COC1=CC(OC)=C(Cl)C(NC(=O)N(C)C2=CC(NC3=CC=C(N4CCN(CC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=C3)=NC=N2)=C1Cl", "label": 0}, "4954": {"pro_comp_id": 2879, "tar_path": "FGFR2_P21802.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "FGFR2_P21802_323_lig_smina_out.mol2", "protac_path": "2879_protac.mol2", "smiles": "COC1=CC(OC)=C(Cl)C(NC(=O)N(C)C2=CC(NC3=CC=C(N4CCN(CCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=C3)=NC=N2)=C1Cl", "label": -1}, "4955": {"pro_comp_id": 2880, "tar_path": "FGFR2_P21802.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "FGFR2_P21802_323_lig_smina_out.mol2", "protac_path": "2880_protac.mol2", "smiles": "COC1=CC(OC)=C(Cl)C(NC(=O)N(C)C2=CC(NC3=CC=C(N4CCN(CCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=C3)=NC=N2)=C1Cl", "label": -1}, "4956": {"pro_comp_id": 2881, "tar_path": "FGFR2_P21802.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "FGFR2_P21802_323_lig_smina_out.mol2", "protac_path": "2881_protac.mol2", "smiles": "COC1=CC(OC)=C(Cl)C(NC(=O)N(C)C2=CC(NC3=CC=C(N4CCN(CCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=C3)=NC=N2)=C1Cl", "label": -1}, "4957": {"pro_comp_id": 2882, "tar_path": "FGFR2_P21802.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "FGFR2_P21802_323_lig_smina_out.mol2", "protac_path": "2882_protac.mol2", "smiles": "COC1=CC(OC)=C(Cl)C(NC(=O)N(C)C2=CC(NC3=CC=C(N4CCN(CC(=O)NCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=C3)=NC=N2)=C1Cl", "label": -1}, "4958": {"pro_comp_id": 2883, "tar_path": "FGFR2_P21802.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "FGFR2_P21802_323_lig_smina_out.mol2", "protac_path": "2883_protac.mol2", "smiles": "COC1=CC(OC)=C(Cl)C(NC(=O)N(C)C2=CC(NC3=CC=C(N4CCN(C(=O)NCCOCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=C3)=NC=N2)=C1Cl", "label": -1}, "4959": {"pro_comp_id": 2884, "tar_path": "FGFR2_P21802.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "FGFR2_P21802_323_lig_smina_out.mol2", "protac_path": "2884_protac.mol2", "smiles": "COC1=CC(OC)=C(Cl)C(NC(=O)N(C)C2=CC(NC3=CC=C(N4CCN(CC(=O)NCCCCCOC5=CC(C6=C(C)N=CS6)=CC=C5[C@H](C)NC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@@H](NC(C)=O)C(C)(C)C)CC4)C=C3)=NC=N2)=C1Cl", "label": -1}, "4960": {"pro_comp_id": 2885, "tar_path": "FGFR2_P21802.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "FGFR2_P21802_323_lig_smina_out.mol2", "protac_path": "2885_protac.mol2", "smiles": "COC1=CC(OC)=C(Cl)C(NC(=O)N(C)C2=CC(NC3=CC=C(N4CCN(CC(=O)NCCCCCSC(C)(C)[C@@H](NC(C)=O)C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)CC4)C=C3)=NC=N2)=C1Cl", "label": -1}, "4961": {"pro_comp_id": 2886, "tar_path": "CCR9_P51686.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CCR9_P51686_325_lig_smina_out.mol2", "protac_path": "2886_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCC3=CN(CCOCCOCCOC4=CC(C(=O)C5=CC(Cl)=CC=C5NS(=O)(=O)C5=CC=C(C(C)(C)C)C=C5)=CC=[N+]4[O-])N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "4962": {"pro_comp_id": 2887, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "FAK_Q05397_237_lig_smina_out.mol2", "protac_path": "2887_protac.mol2", "smiles": "CNC(=O)C1=CC=CC=C1NC1=CC(NC2=CC=C(N3CCN(CCOCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C=C2OC)=NC=C1C(F)(F)F", "label": 0}, "4963": {"pro_comp_id": 2888, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "FAK_Q05397_237_lig_smina_out.mol2", "protac_path": "2888_protac.mol2", "smiles": "CNC(=O)C1=CC=CC=C1NC1=CC(NC2=CC=C(N3CCN(CCCCCCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C=C2OC)=NC=C1C(F)(F)F", "label": 1}, "4964": {"pro_comp_id": 2889, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "FAK_Q05397_237_lig_smina_out.mol2", "protac_path": "2889_protac.mol2", "smiles": "CNC(=O)C1=CC=CC=C1NC1=CC(NC2=CC=C(N3CCN(CCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C=C2OC)=NC=C1C(F)(F)F", "label": 0}, "4965": {"pro_comp_id": 2890, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "FAK_Q05397_237_lig_smina_out.mol2", "protac_path": "2890_protac.mol2", "smiles": "CNC(=O)C1=CC=CC=C1NC1=CC(NC2=CC=C(N3CCN(CCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C=C2OC)=NC=C1C(F)(F)F", "label": 1}, "4966": {"pro_comp_id": 2891, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "FAK_Q05397_237_lig_smina_out.mol2", "protac_path": "2891_protac.mol2", "smiles": "CNC(=O)C1=CC=CC=C1NC1=CC(NC2=CC=C(N3CCN(CCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C=C2OC)=NC=C1C(F)(F)F", "label": 1}, "4967": {"pro_comp_id": 2892, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "FAK_Q05397_237_lig_smina_out.mol2", "protac_path": "2892_protac.mol2", "smiles": "CNC(=O)C1=CC=CC=C1NC1=CC(NC2=CC=C(N3CCN(CC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C=C2OC)=NC=C1C(F)(F)F", "label": 1}, "4968": {"pro_comp_id": 2893, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "2893_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC1=CN(CCCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "4969": {"pro_comp_id": 2893, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "2893_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC1=CN(CCCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "4970": {"pro_comp_id": 2894, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "2894_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC1=CN(CCCCNC(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "4971": {"pro_comp_id": 2894, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "2894_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC1=CN(CCCCNC(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "4972": {"pro_comp_id": 2895, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_74_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "2895_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC1=CN(CCCCNC(=O)COC3=CC=C(C4CCC(=O)NC4=O)C=C3)N=N1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "4973": {"pro_comp_id": 2895, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_74_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "2895_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC1=CN(CCCCNC(=O)COC3=CC=C(C4CCC(=O)NC4=O)C=C3)N=N1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "4974": {"pro_comp_id": 2896, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_74_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "2896_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC1=CN(CCCCNC(=O)CNC3=CC=C(C4CCC(=O)NC4=O)C=C3)N=N1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "4975": {"pro_comp_id": 2896, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_74_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "2896_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC1=CN(CCCCNC(=O)CNC3=CC=C(C4CCC(=O)NC4=O)C=C3)N=N1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "4976": {"pro_comp_id": 2897, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_74_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "2897_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)COC1=CC=C(C3CCC(=O)NC3=O)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "4977": {"pro_comp_id": 2897, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_74_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "2897_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)COC1=CC=C(C3CCC(=O)NC3=O)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "4978": {"pro_comp_id": 2898, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_74_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "2898_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCNC(=O)COC1=CC=C(C3CCC(=O)NC3=O)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": 1}, "4979": {"pro_comp_id": 2898, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_74_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "2898_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCNC(=O)COC1=CC=C(C3CCC(=O)NC3=O)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": 1}, "4980": {"pro_comp_id": 2898, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_74_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "2898_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCNC(=O)COC1=CC=C(C3CCC(=O)NC3=O)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "4981": {"pro_comp_id": 2899, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_74_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "2899_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)COC1=CC=CC(C3CCC(=O)NC3=O)=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "4982": {"pro_comp_id": 2899, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_74_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "2899_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)COC1=CC=CC(C3CCC(=O)NC3=O)=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "4983": {"pro_comp_id": 2900, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_74_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "2900_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCNC(=O)COC1=CC=CC(C3CCC(=O)NC3=O)=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "4984": {"pro_comp_id": 2900, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_74_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "2900_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCNC(=O)COC1=CC=CC(C3CCC(=O)NC3=O)=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "4985": {"pro_comp_id": 2901, "tar_path": "MIF_P14174.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MIF_P14174_326_lig_smina_out.mol2", "protac_path": "2901_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCC4=CN(CC(=O)NC5=CC=C(C6=CC7=CC=C(O)C=C7OC6=O)C=C5)N=N4)=C3C2=O)C(=O)N1", "label": 0}, "4986": {"pro_comp_id": 2902, "tar_path": "MIF_P14174.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MIF_P14174_326_lig_smina_out.mol2", "protac_path": "2902_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CCC4=CN(CC(=O)NC5=CC=C(C6=CC7=CC=C(O)C=C7OC6=O)C=C5)N=N4)=C3C2=O)C(=O)N1", "label": 0}, "4987": {"pro_comp_id": 2903, "tar_path": "MIF_P14174.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MIF_P14174_326_lig_smina_out.mol2", "protac_path": "2903_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CCCC4=CN(CC(=O)NC5=CC=C(C6=CC7=CC=C(O)C=C7OC6=O)C=C5)N=N4)=C3C2=O)C(=O)N1", "label": 0}, "4988": {"pro_comp_id": 2904, "tar_path": "MIF_P14174.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MIF_P14174_326_lig_smina_out.mol2", "protac_path": "2904_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CCCCC4=CN(CC(=O)NC5=CC=C(C6=CC7=CC=C(O)C=C7OC6=O)C=C5)N=N4)=C3C2=O)C(=O)N1", "label": 0}, "4989": {"pro_comp_id": 2905, "tar_path": "MIF_P14174.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MIF_P14174_326_lig_smina_out.mol2", "protac_path": "2905_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CCCCC4=CN(CCC(=O)NC5=CC=C(C6=CC7=CC=C(O)C=C7OC6=O)C=C5)N=N4)=C3C2=O)C(=O)N1", "label": 0}, "4990": {"pro_comp_id": 2906, "tar_path": "MIF_P14174.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MIF_P14174_326_lig_smina_out.mol2", "protac_path": "2906_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CC4=CC=C(N5C=C(CCCC(=O)NC6=CC=C(C7=CC8=CC=C(O)C=C8OC7=O)C=C6)N=N5)C=C4)=C3C2=O)C(=O)N1", "label": 0}, "4991": {"pro_comp_id": 2907, "tar_path": "MIF_P14174.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MIF_P14174_327_lig_smina_out.mol2", "protac_path": "2907_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCC(=O)NC4=CC=C(N5CC6=CC=C(O)C=C6OC5=O)C=C4)=C3C2=O)C(=O)N1", "label": 0}, "4992": {"pro_comp_id": 2908, "tar_path": "MIF_P14174.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MIF_P14174_327_lig_smina_out.mol2", "protac_path": "2908_protac.mol2", "smiles": "O=C(CCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCC1=CC=C(N2CC3=CC=C(O)C=C3OC2=O)C=C1", "label": 0}, "4993": {"pro_comp_id": 2909, "tar_path": "MIF_P14174.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MIF_P14174_327_lig_smina_out.mol2", "protac_path": "2909_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCC(=O)NC4=CC=C(N5CC6=CC=C(O)C=C6OC5=O)C=C4)=C3C2=O)C(=O)N1", "label": 0}, "4994": {"pro_comp_id": 2910, "tar_path": "MIF_P14174.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MIF_P14174_327_lig_smina_out.mol2", "protac_path": "2910_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCC4=CN(CCC(=O)NC5=CC=C(N6CC7=CC=C(O)C=C7OC6=O)C=C5)N=N4)=C3C2=O)C(=O)N1", "label": 0}, "4995": {"pro_comp_id": 2911, "tar_path": "MIF_P14174.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MIF_P14174_327_lig_smina_out.mol2", "protac_path": "2911_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CCCC4=CN(CCC(=O)NC5=CC=C(N6CC7=CC=C(O)C=C7OC6=O)C=C5)N=N4)=C3C2=O)C(=O)N1", "label": 0}, "4996": {"pro_comp_id": 2912, "tar_path": "MIF_P14174.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MIF_P14174_327_lig_smina_out.mol2", "protac_path": "2912_protac.mol2", "smiles": "O=C(CC1=CC=C(N2CC3=CC=C(O)C=C3OC2=O)C=C1)NCC1=CN(C2=CC=C(CC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)N=N1", "label": 0}, "4997": {"pro_comp_id": 2913, "tar_path": "MIF_P14174.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MIF_P14174_327_lig_smina_out.mol2", "protac_path": "2913_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCC(=O)NC4=CC=C(N5CC6=CC=C(O)C=C6OC5=O)C=C4)=C3C2=O)C(=O)N1", "label": 0}, "4998": {"pro_comp_id": 2914, "tar_path": "MIF_P14174.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MIF_P14174_327_lig_smina_out.mol2", "protac_path": "2914_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCCCC(=O)NC4=CC=C(N5CC6=CC=C(O)C=C6OC5=O)C=C4)=C3C2=O)C(=O)N1", "label": 0}, "4999": {"pro_comp_id": 2915, "tar_path": "PI3Kalpha_P42336.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PI3Kalpha_P42336_328_lig_smina_out.mol2", "protac_path": "2915_protac.mol2", "smiles": "COC1=NC=C(C2=CN3C(C4=NN=C(C5=CC=CC=C5C(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)O4)=CN=C3C=C2)C=C1NS(=O)(=O)C1=CC=C(F)C=C1F", "label": -1}, "5000": {"pro_comp_id": 2916, "tar_path": "PI3Kalpha_P42336.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PI3Kalpha_P42336_328_lig_smina_out.mol2", "protac_path": "2916_protac.mol2", "smiles": "COC1=NC=C(C2=CN3C(C4=NN=C(C5=CC=CC=C5C(=O)NCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)O4)=CN=C3C=C2)C=C1NS(=O)(=O)C1=CC=C(F)C=C1F", "label": -1}, "5001": {"pro_comp_id": 2917, "tar_path": "PI3Kalpha_P42336.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PI3Kalpha_P42336_328_lig_smina_out.mol2", "protac_path": "2917_protac.mol2", "smiles": "COC1=NC=C(C2=CN3C(C4=NN=C(C5=CC=CC=C5C(=O)NCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)O4)=CN=C3C=C2)C=C1NS(=O)(=O)C1=CC=C(F)C=C1F", "label": -1}, "5002": {"pro_comp_id": 2918, "tar_path": "PI3Kalpha_P42336.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PI3Kalpha_P42336_328_lig_smina_out.mol2", "protac_path": "2918_protac.mol2", "smiles": "COC1=NC=C(C2=CN3C(C4=NN=C(C5=CC=CC=C5C(=O)NCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)O4)=CN=C3C=C2)C=C1NS(=O)(=O)C1=CC=C(F)C=C1F", "label": -1}, "5003": {"pro_comp_id": 2919, "tar_path": "PI3Kalpha_P42336.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PI3Kalpha_P42336_328_lig_smina_out.mol2", "protac_path": "2919_protac.mol2", "smiles": "COC1=NC=C(C2=CN3C(C4=NN=C(C5=CC=CC=C5C(=O)NCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)O4)=CN=C3C=C2)C=C1NS(=O)(=O)C1=CC=C(F)C=C1F", "label": -1}, "5004": {"pro_comp_id": 2920, "tar_path": "PI3Kalpha_P42336.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PI3Kalpha_P42336_328_lig_smina_out.mol2", "protac_path": "2920_protac.mol2", "smiles": "COC1=NC=C(C2=CN3C(C4=NN=C(C5=CC=CC=C5C(=O)NCCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)O4)=CN=C3C=C2)C=C1NS(=O)(=O)C1=CC=C(F)C=C1F", "label": -1}, "5005": {"pro_comp_id": 2921, "tar_path": "PI3Kalpha_P42336.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PI3Kalpha_P42336_328_lig_smina_out.mol2", "protac_path": "2921_protac.mol2", "smiles": "COC1=NC=C(C2=CN3C(C4=NN=C(C5=CC=CC=C5C(=O)NCCCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)O4)=CN=C3C=C2)C=C1NS(=O)(=O)C1=CC=C(F)C=C1F", "label": -1}, "5006": {"pro_comp_id": 2922, "tar_path": "PI3Kalpha_P42336.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PI3Kalpha_P42336_328_lig_smina_out.mol2", "protac_path": "2922_protac.mol2", "smiles": "COC1=NC=C(C2=CN3C(C4=NN=C(C5=CC=CC=C5C(=O)NCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)O4)=CN=C3C=C2)C=C1NS(=O)(=O)C1=CC=C(F)C=C1F", "label": -1}, "5007": {"pro_comp_id": 2923, "tar_path": "PI3Kalpha_P42336.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PI3Kalpha_P42336_328_lig_smina_out.mol2", "protac_path": "2923_protac.mol2", "smiles": "COC1=NC=C(C2=CN3C(C4=NN=C(C5=CC=CC=C5C(=O)NCCOCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)O4)=CN=C3C=C2)C=C1NS(=O)(=O)C1=CC=C(F)C=C1F", "label": -1}, "5008": {"pro_comp_id": 2924, "tar_path": "PI3Kalpha_P42336.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PI3Kalpha_P42336_328_lig_smina_out.mol2", "protac_path": "2924_protac.mol2", "smiles": "COC1=NC=C(C2=CN3C(C4=NN=C(C5=CC=CC=C5C(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)O4)=CN=C3C=C2)C=C1NS(=O)(=O)C1=CC=C(F)C=C1F", "label": -1}, "5009": {"pro_comp_id": 2925, "tar_path": "PI3Kalpha_P42336.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PI3Kalpha_P42336_328_lig_smina_out.mol2", "protac_path": "2925_protac.mol2", "smiles": "COC1=NC=C(C2=CN3C(C4=NN=C(C5=CC=CC=C5C(=O)NCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)O4)=CN=C3C=C2)C=C1NS(=O)(=O)C1=CC=C(F)C=C1F", "label": -1}, "5010": {"pro_comp_id": 2926, "tar_path": "PI3Kalpha_P42336.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PI3Kalpha_P42336_328_lig_smina_out.mol2", "protac_path": "2926_protac.mol2", "smiles": "COC1=NC=C(C2=CN3C(C4=NN=C(C5=CC=CC=C5C(=O)NCCOCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)O4)=CN=C3C=C2)C=C1NS(=O)(=O)C1=CC=C(F)C=C1F", "label": -1}, "5011": {"pro_comp_id": 2927, "tar_path": "PI3Kalpha_P42336.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PI3Kalpha_P42336_328_lig_smina_out.mol2", "protac_path": "2927_protac.mol2", "smiles": "COC1=NC=C(C2=CN3C(C4=NN=C(C5=CC=CC=C5C(=O)NCCOCCOCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)O4)=CN=C3C=C2)C=C1NS(=O)(=O)C1=CC=C(F)C=C1F", "label": -1}, "5012": {"pro_comp_id": 2928, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2928_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CC4=CN(CCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5013": {"pro_comp_id": 2928, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2928_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CC4=CN(CCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5014": {"pro_comp_id": 2928, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2928_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CC4=CN(CCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5015": {"pro_comp_id": 2928, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2928_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CC4=CN(CCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5016": {"pro_comp_id": 2929, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2929_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CC4=CN(CCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5017": {"pro_comp_id": 2929, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2929_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CC4=CN(CCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5018": {"pro_comp_id": 2929, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2929_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CC4=CN(CCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5019": {"pro_comp_id": 2929, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2929_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CC4=CN(CCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5020": {"pro_comp_id": 2930, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2930_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CC4=CN(CCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5021": {"pro_comp_id": 2930, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2930_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CC4=CN(CCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5022": {"pro_comp_id": 2930, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2930_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CC4=CN(CCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5023": {"pro_comp_id": 2930, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2930_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CC4=CN(CCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5024": {"pro_comp_id": 2931, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2931_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CC4=CN(CCCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5025": {"pro_comp_id": 2931, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2931_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CC4=CN(CCCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5026": {"pro_comp_id": 2931, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2931_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CC4=CN(CCCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5027": {"pro_comp_id": 2931, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2931_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CC4=CN(CCCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5028": {"pro_comp_id": 2932, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2932_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CC4=CN(CC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5029": {"pro_comp_id": 2932, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2932_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CC4=CN(CC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5030": {"pro_comp_id": 2932, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2932_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CC4=CN(CC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5031": {"pro_comp_id": 2932, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2932_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CC4=CN(CC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5032": {"pro_comp_id": 2933, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2933_protac.mol2", "smiles": "CC(C(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)N1C=C(CN2C=C(C3=CC=C(NC(=O)NC4=NOC(C(C)(C)C)=C4)C=C3)C3=C(N)N=CN=C32)N=N1", "label": -1}, "5033": {"pro_comp_id": 2933, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2933_protac.mol2", "smiles": "CC(C(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)N1C=C(CN2C=C(C3=CC=C(NC(=O)NC4=NOC(C(C)(C)C)=C4)C=C3)C3=C(N)N=CN=C32)N=N1", "label": -1}, "5034": {"pro_comp_id": 2933, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2933_protac.mol2", "smiles": "CC(C(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)N1C=C(CN2C=C(C3=CC=C(NC(=O)NC4=NOC(C(C)(C)C)=C4)C=C3)C3=C(N)N=CN=C32)N=N1", "label": -1}, "5035": {"pro_comp_id": 2933, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2933_protac.mol2", "smiles": "CC(C(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)N1C=C(CN2C=C(C3=CC=C(NC(=O)NC4=NOC(C(C)(C)C)=C4)C=C3)C3=C(N)N=CN=C32)N=N1", "label": -1}, "5036": {"pro_comp_id": 2934, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2934_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCC4=CN(CCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5037": {"pro_comp_id": 2934, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2934_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCC4=CN(CCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5038": {"pro_comp_id": 2934, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2934_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCC4=CN(CCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5039": {"pro_comp_id": 2934, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2934_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCC4=CN(CCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5040": {"pro_comp_id": 2935, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2935_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCC4=CN(CCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5041": {"pro_comp_id": 2935, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2935_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCC4=CN(CCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5042": {"pro_comp_id": 2935, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2935_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCC4=CN(CCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5043": {"pro_comp_id": 2935, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2935_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCC4=CN(CCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5044": {"pro_comp_id": 2936, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2936_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCC4=CN(CCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5045": {"pro_comp_id": 2936, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2936_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCC4=CN(CCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5046": {"pro_comp_id": 2936, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2936_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCC4=CN(CCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5047": {"pro_comp_id": 2936, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2936_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCC4=CN(CCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5048": {"pro_comp_id": 2937, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2937_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCC4=CN(CCCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5049": {"pro_comp_id": 2937, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2937_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCC4=CN(CCCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5050": {"pro_comp_id": 2937, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2937_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCC4=CN(CCCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5051": {"pro_comp_id": 2937, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2937_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCC4=CN(CCCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5052": {"pro_comp_id": 2938, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2938_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCC4=CN(CC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5053": {"pro_comp_id": 2938, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2938_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCC4=CN(CC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5054": {"pro_comp_id": 2938, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2938_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCC4=CN(CC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5055": {"pro_comp_id": 2938, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2938_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCC4=CN(CC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5056": {"pro_comp_id": 2939, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2939_protac.mol2", "smiles": "CC(C(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)N1C=C(CCCN2C=C(C3=CC=C(NC(=O)NC4=NOC(C(C)(C)C)=C4)C=C3)C3=C(N)N=CN=C32)N=N1", "label": -1}, "5057": {"pro_comp_id": 2939, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2939_protac.mol2", "smiles": "CC(C(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)N1C=C(CCCN2C=C(C3=CC=C(NC(=O)NC4=NOC(C(C)(C)C)=C4)C=C3)C3=C(N)N=CN=C32)N=N1", "label": -1}, "5058": {"pro_comp_id": 2939, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2939_protac.mol2", "smiles": "CC(C(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)N1C=C(CCCN2C=C(C3=CC=C(NC(=O)NC4=NOC(C(C)(C)C)=C4)C=C3)C3=C(N)N=CN=C32)N=N1", "label": -1}, "5059": {"pro_comp_id": 2939, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2939_protac.mol2", "smiles": "CC(C(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)N1C=C(CCCN2C=C(C3=CC=C(NC(=O)NC4=NOC(C(C)(C)C)=C4)C=C3)C3=C(N)N=CN=C32)N=N1", "label": -1}, "5060": {"pro_comp_id": 2940, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2940_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCCC4=CN(CCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5061": {"pro_comp_id": 2940, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2940_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCCC4=CN(CCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5062": {"pro_comp_id": 2940, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2940_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCCC4=CN(CCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5063": {"pro_comp_id": 2940, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2940_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCCC4=CN(CCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5064": {"pro_comp_id": 2941, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2941_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCCC4=CN(CCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5065": {"pro_comp_id": 2941, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2941_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCCC4=CN(CCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5066": {"pro_comp_id": 2941, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2941_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCCC4=CN(CCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5067": {"pro_comp_id": 2941, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2941_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCCC4=CN(CCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5068": {"pro_comp_id": 2942, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2942_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCCC4=CN(CCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": 1}, "5069": {"pro_comp_id": 2942, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2942_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCCC4=CN(CCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5070": {"pro_comp_id": 2942, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2942_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCCC4=CN(CCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5071": {"pro_comp_id": 2942, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2942_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCCC4=CN(CCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5072": {"pro_comp_id": 2943, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2943_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCCC4=CN(CCCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5073": {"pro_comp_id": 2943, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2943_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCCC4=CN(CCCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5074": {"pro_comp_id": 2943, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2943_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCCC4=CN(CCCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5075": {"pro_comp_id": 2943, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2943_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCCC4=CN(CCCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5076": {"pro_comp_id": 2944, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2944_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCCC4=CN(CC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5077": {"pro_comp_id": 2944, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2944_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCCC4=CN(CC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5078": {"pro_comp_id": 2944, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2944_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCCC4=CN(CC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5079": {"pro_comp_id": 2944, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2944_protac.mol2", "smiles": "CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCCC4=CN(CC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1", "label": -1}, "5080": {"pro_comp_id": 2945, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2945_protac.mol2", "smiles": "CC(C(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)N1C=C(CCCCN2C=C(C3=CC=C(NC(=O)NC4=NOC(C(C)(C)C)=C4)C=C3)C3=C(N)N=CN=C32)N=N1", "label": -1}, "5081": {"pro_comp_id": 2945, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2945_protac.mol2", "smiles": "CC(C(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)N1C=C(CCCCN2C=C(C3=CC=C(NC(=O)NC4=NOC(C(C)(C)C)=C4)C=C3)C3=C(N)N=CN=C32)N=N1", "label": -1}, "5082": {"pro_comp_id": 2945, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2945_protac.mol2", "smiles": "CC(C(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)N1C=C(CCCCN2C=C(C3=CC=C(NC(=O)NC4=NOC(C(C)(C)C)=C4)C=C3)C3=C(N)N=CN=C32)N=N1", "label": -1}, "5083": {"pro_comp_id": 2945, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3_P36888_329_lig_smina_out.mol2", "protac_path": "2945_protac.mol2", "smiles": "CC(C(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)N1C=C(CCCCN2C=C(C3=CC=C(NC(=O)NC4=NOC(C(C)(C)C)=C4)C=C3)C3=C(N)N=CN=C32)N=N1", "label": -1}, "5084": {"pro_comp_id": 2946, "tar_path": "MYC_P01106.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MYC_P01106_330_lig_smina_out.mol2", "protac_path": "2946_protac.mol2", "smiles": "CC(C)C1=CC=C(/C=C2\\SC(=S)N(CCCCCCCCNC(=O)C3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)C2=O)C=C1", "label": -1}, "5085": {"pro_comp_id": 2947, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MDM2_Q00987_331_lig_smina_out.mol2", "protac_path": "2947_protac.mol2", "smiles": "C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)NCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC[C@H]1C", "label": -1}, "5086": {"pro_comp_id": 2948, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MDM2_Q00987_331_lig_smina_out.mol2", "protac_path": "2948_protac.mol2", "smiles": "C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)NCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC[C@H]1C", "label": -1}, "5087": {"pro_comp_id": 2949, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MDM2_Q00987_331_lig_smina_out.mol2", "protac_path": "2949_protac.mol2", "smiles": "C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)NCCOCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC[C@H]1C", "label": -1}, "5088": {"pro_comp_id": 2950, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MDM2_Q00987_331_lig_smina_out.mol2", "protac_path": "2950_protac.mol2", "smiles": "C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)OCCOC(=O)CCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC[C@H]1C", "label": -1}, "5089": {"pro_comp_id": 2951, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MDM2_Q00987_331_lig_smina_out.mol2", "protac_path": "2951_protac.mol2", "smiles": "C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)OCCOC(=O)CCOCCOCCN2C=C(CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)CC[C@H]1C", "label": -1}, "5090": {"pro_comp_id": 2952, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MDM2_Q00987_331_lig_smina_out.mol2", "protac_path": "2952_protac.mol2", "smiles": "C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)NCCCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC[C@H]1C", "label": -1}, "5091": {"pro_comp_id": 2953, "tar_path": "PD-L1_Q9NZQ7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PD-L1_Q9NZQ7_332_lig_smina_out.mol2", "protac_path": "2953_protac.mol2", "smiles": "COC1=CC(OCC2=CC=CC(C3=CC=CC=C3)=C2C)=CC(OC)=C1CNCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "5092": {"pro_comp_id": 2954, "tar_path": "PD-L1_Q9NZQ7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PD-L1_Q9NZQ7_332_lig_smina_out.mol2", "protac_path": "2954_protac.mol2", "smiles": "COC1=CC(OCC2=CC=CC(C3=CC=CC=C3)=C2C)=CC(OC)=C1CNCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "5093": {"pro_comp_id": 2955, "tar_path": "PD-L1_Q9NZQ7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PD-L1_Q9NZQ7_332_lig_smina_out.mol2", "protac_path": "2955_protac.mol2", "smiles": "COC1=CC(OCC2=CC=CC(C3=CC=CC=C3)=C2C)=CC(OC)=C1CNCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "5094": {"pro_comp_id": 2956, "tar_path": "PD-L1_Q9NZQ7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PD-L1_Q9NZQ7_332_lig_smina_out.mol2", "protac_path": "2956_protac.mol2", "smiles": "COC1=CC(OCC2=CC=CC(C3=CC=CC=C3)=C2C)=CC(OC)=C1CNCCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "5095": {"pro_comp_id": 2957, "tar_path": "PD-L1_Q9NZQ7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PD-L1_Q9NZQ7_332_lig_smina_out.mol2", "protac_path": "2957_protac.mol2", "smiles": "COC1=CC(OCC2=CC=CC(C3=CC=CC=C3)=C2C)=CC(OC)=C1CNCCCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "5096": {"pro_comp_id": 2958, "tar_path": "PD-L1_Q9NZQ7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PD-L1_Q9NZQ7_332_lig_smina_out.mol2", "protac_path": "2958_protac.mol2", "smiles": "COC1=CC(OCC2=CC=CC(C3=CC=CC=C3)=C2C)=CC(OC)=C1CNCCCCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "5097": {"pro_comp_id": 2959, "tar_path": "PD-L1_Q9NZQ7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PD-L1_Q9NZQ7_332_lig_smina_out.mol2", "protac_path": "2959_protac.mol2", "smiles": "COC1=CC(OCC2=CC=C(C3=CC=CC=C3)C=C2C)=CC(OC)=C1CNCCNC(=O)CCC#CC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1", "label": -1}, "5098": {"pro_comp_id": 2960, "tar_path": "PD-L1_Q9NZQ7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PD-L1_Q9NZQ7_332_lig_smina_out.mol2", "protac_path": "2960_protac.mol2", "smiles": "COC1=CC(OCC2=CC=CC(C3=CC=CC=C3)=C2C)=CC(OC)=C1CNCCNC(=O)CCCC#CC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1", "label": -1}, "5099": {"pro_comp_id": 2961, "tar_path": "PD-L1_Q9NZQ7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PD-L1_Q9NZQ7_332_lig_smina_out.mol2", "protac_path": "2961_protac.mol2", "smiles": "COC1=CC(OCC2=CC=CC(C3=CC=CC=C3)=C2C)=CC(OC)=C1CNCCNC(=O)CCCCC#CC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1", "label": -1}, "5100": {"pro_comp_id": 2962, "tar_path": "PD-L1_Q9NZQ7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PD-L1_Q9NZQ7_332_lig_smina_out.mol2", "protac_path": "2962_protac.mol2", "smiles": "COC1=CC(OCC2=CC=C(C3=CC=CC=C3)C=C2C)=CC(OC)=C1CNCCNC(=O)CCC#CC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "5101": {"pro_comp_id": 2963, "tar_path": "PD-L1_Q9NZQ7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PD-L1_Q9NZQ7_332_lig_smina_out.mol2", "protac_path": "2963_protac.mol2", "smiles": "COC1=CC(OCC2=CC=CC(C3=CC=CC=C3)=C2C)=CC(OC)=C1CNCCNC(=O)CCCC#CC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "5102": {"pro_comp_id": 2964, "tar_path": "PD-L1_Q9NZQ7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PD-L1_Q9NZQ7_332_lig_smina_out.mol2", "protac_path": "2964_protac.mol2", "smiles": "COC1=CC(OCC2=CC=CC(C3=CC=CC=C3)=C2C)=CC(OC)=C1CNCCNC(=O)CCCCC#CC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "5103": {"pro_comp_id": 2965, "tar_path": "PD-L1_Q9NZQ7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PD-L1_Q9NZQ7_332_lig_smina_out.mol2", "protac_path": "2965_protac.mol2", "smiles": "COC1=CC(OCC2=CC=CC(C3=CC=CC=C3)=C2C)=CC(OC)=C1CNCC(=O)NCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "5104": {"pro_comp_id": 2966, "tar_path": "PD-L1_Q9NZQ7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PD-L1_Q9NZQ7_332_lig_smina_out.mol2", "protac_path": "2966_protac.mol2", "smiles": "COC1=CC(OCC2=CC=C(C3=CC=CC=C3)C(C)=C2)=CC(OC)=C1CNCC(=O)NCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "5105": {"pro_comp_id": 2967, "tar_path": "PD-L1_Q9NZQ7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PD-L1_Q9NZQ7_332_lig_smina_out.mol2", "protac_path": "2967_protac.mol2", "smiles": "COC1=CC(OCC2=CC=C(C3=CC=CC=C3)C(C)=C2)=CC(OC)=C1CNCC(=O)NCCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "5106": {"pro_comp_id": 2968, "tar_path": "PD-L1_Q9NZQ7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PD-L1_Q9NZQ7_332_lig_smina_out.mol2", "protac_path": "2968_protac.mol2", "smiles": "COC1=CC(OCC2=CC=C(C3=CC=CC=C3)C(C)=C2)=CC(OC)=C1CNCC(=O)NCCCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "5107": {"pro_comp_id": 2969, "tar_path": "PD-L1_Q9NZQ7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PD-L1_Q9NZQ7_332_lig_smina_out.mol2", "protac_path": "2969_protac.mol2", "smiles": "COC1=CC(OCC2=CC=CC(C3=CC=CC=C3)=C2C)=CC(OC)=C1CNCCC(=O)NCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "5108": {"pro_comp_id": 2970, "tar_path": "PD-L1_Q9NZQ7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PD-L1_Q9NZQ7_332_lig_smina_out.mol2", "protac_path": "2970_protac.mol2", "smiles": "COC1=CC(OCC2=CC=CC(C3=CC=CC=C3)=C2C)=CC(OC)=C1CNCCC(=O)NCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "5109": {"pro_comp_id": 2971, "tar_path": "PD-L1_Q9NZQ7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PD-L1_Q9NZQ7_332_lig_smina_out.mol2", "protac_path": "2971_protac.mol2", "smiles": "COC1=CC(OCC2=CC=CC(C3=CC=CC=C3)=C2C)=CC(OC)=C1CNCCC(=O)NCCCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "5110": {"pro_comp_id": 2972, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_333_lig_smina_out.mol2", "protac_path": "2972_protac.mol2", "smiles": "COC1=CC(Cl)=C(C2=CC(Cl)=CC=C2Cl)C=C1C(=O)N1CCN(C(=O)CCC(=O)NCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": 0}, "5111": {"pro_comp_id": 2973, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_333_lig_smina_out.mol2", "protac_path": "2973_protac.mol2", "smiles": "COC1=CC(Cl)=C(C2=CC(Cl)=CC=C2Cl)C=C1C(=O)N1CCN(C(=O)CCC(=O)NCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": 0}, "5112": {"pro_comp_id": 2974, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_333_lig_smina_out.mol2", "protac_path": "2974_protac.mol2", "smiles": "COC1=CC(Cl)=C(C2=CC(Cl)=CC=C2Cl)C=C1C(=O)N1CCN(C(=O)CCC(=O)NCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": 0}, "5113": {"pro_comp_id": 2975, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_333_lig_smina_out.mol2", "protac_path": "2975_protac.mol2", "smiles": "COC1=CC(Cl)=C(C2=CC(Cl)=CC=C2Cl)C=C1C(=O)N1CCN(C(=O)CCC(=O)NCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": 0}, "5114": {"pro_comp_id": 2976, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_333_lig_smina_out.mol2", "protac_path": "2976_protac.mol2", "smiles": "COC1=CC(Cl)=C(C2=CC(Cl)=CC=C2Cl)C=C1C(=O)N1CCN(C(=O)CCC(=O)NCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": 0}, "5115": {"pro_comp_id": 2977, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_333_lig_smina_out.mol2", "protac_path": "2977_protac.mol2", "smiles": "COC1=CC(Cl)=C(C2=CC(Cl)=CC=C2Cl)C=C1C(=O)N1CCN(C(=O)CCC(=O)N2CCN(CC(=O)NCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1", "label": 0}, "5116": {"pro_comp_id": 2978, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_333_lig_smina_out.mol2", "protac_path": "2978_protac.mol2", "smiles": "COC1=CC(Cl)=C(C2=CC(Cl)=CC=C2Cl)C=C1C(=O)N1CCN(C(=O)CCC(=O)N2CCN(CC(=O)NCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1", "label": 0}, "5117": {"pro_comp_id": 2979, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_333_lig_smina_out.mol2", "protac_path": "2979_protac.mol2", "smiles": "COC1=CC(Cl)=C(C2=CC(Cl)=CC=C2Cl)C=C1C(=O)N1CCN(C(=O)CCC(=O)N2CCN(CC(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1", "label": 0}, "5118": {"pro_comp_id": 2980, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_333_lig_smina_out.mol2", "protac_path": "2980_protac.mol2", "smiles": "COC1=CC(Cl)=C(C2=CC(Cl)=CC=C2Cl)C=C1C(=O)N1CCN(C(=O)CCC(=O)N2CCN(CC(=O)NCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1", "label": 0}, "5119": {"pro_comp_id": 2981, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_333_lig_smina_out.mol2", "protac_path": "2981_protac.mol2", "smiles": "COC1=CC(Cl)=C(C2=CC(Cl)=CC=C2Cl)C=C1C(=O)N1CCN(C(=O)CCC(=O)N2CCN(CC(=O)NCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1", "label": 0}, "5120": {"pro_comp_id": 2982, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_333_lig_smina_out.mol2", "protac_path": "2982_protac.mol2", "smiles": "COC1=CC(Cl)=C(C2=CC(Cl)=CC=C2Cl)C=C1C(=O)N1CCN(C(=O)/C=C/C(=O)NCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "5121": {"pro_comp_id": 2983, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_333_lig_smina_out.mol2", "protac_path": "2983_protac.mol2", "smiles": "COC1=CC(Cl)=C(C2=CC(Cl)=CC=C2Cl)C=C1C(=O)N1CCN(C(=O)/C=C/C(=O)NCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "5122": {"pro_comp_id": 2984, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_333_lig_smina_out.mol2", "protac_path": "2984_protac.mol2", "smiles": "COC1=CC(Cl)=C(C2=CC(Cl)=CC=C2Cl)C=C1C(=O)N1CCN(C(=O)/C=C/C(=O)NCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "5123": {"pro_comp_id": 2985, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_333_lig_smina_out.mol2", "protac_path": "2985_protac.mol2", "smiles": "COC1=CC(Cl)=C(C2=CC(Cl)=CC=C2Cl)C=C1C(=O)N1CCN(C(=O)/C=C/C(=O)NCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": 0}, "5124": {"pro_comp_id": 2986, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_333_lig_smina_out.mol2", "protac_path": "2986_protac.mol2", "smiles": "COC1=CC(Cl)=C(C2=CC(Cl)=CC=C2Cl)C=C1C(=O)N1CCN(C(=O)/C=C/C(=O)N2CCN(CC(=O)NCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1", "label": -1}, "5125": {"pro_comp_id": 2987, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_333_lig_smina_out.mol2", "protac_path": "2987_protac.mol2", "smiles": "COC1=CC(Cl)=C(C2=CC(Cl)=CC=C2Cl)C=C1C(=O)N1CCN(C(=O)/C=C/C(=O)N2CCN(CC(=O)NCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1", "label": -1}, "5126": {"pro_comp_id": 2988, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_333_lig_smina_out.mol2", "protac_path": "2988_protac.mol2", "smiles": "COC1=CC(Cl)=C(C2=CC(Cl)=CC=C2Cl)C=C1C(=O)N1CCN(C(=O)/C=C/C(=O)N2CCN(CC(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1", "label": -1}, "5127": {"pro_comp_id": 2989, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_333_lig_smina_out.mol2", "protac_path": "2989_protac.mol2", "smiles": "COC1=CC(Cl)=C(C2=CC(Cl)=CC=C2Cl)C=C1C(=O)N1CCN(C(=O)/C=C/C(=O)N2CCN(CC(=O)NCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1", "label": -1}, "5128": {"pro_comp_id": 2990, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "SHP2_Q06124_220_lig_smina_out.mol2", "protac_path": "2990_protac.mol2", "smiles": "CC1(N)CCN(C2=CN=C(C3=CC=C(CCOCCOCCOCCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C(Cl)=C3Cl)C(N)=N2)CC1", "label": 0}, "5129": {"pro_comp_id": 2991, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "SHP2_Q06124_220_lig_smina_out.mol2", "protac_path": "2991_protac.mol2", "smiles": "CC1(N)CCN(C2=CN=C(C3=CC(CCOCCOCCOCCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=CC(Cl)=C3Cl)C(N)=N2)CC1", "label": 0}, "5130": {"pro_comp_id": 2992, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "SHP2_Q06124_220_lig_smina_out.mol2", "protac_path": "2992_protac.mol2", "smiles": "CC1(N)CCN(C2=CN=C(C3=CC=C(OCCOCCOCCOCCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C(Cl)=C3Cl)C(N)=N2)CC1", "label": 0}, "5131": {"pro_comp_id": 2993, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "SHP2_Q06124_220_lig_smina_out.mol2", "protac_path": "2993_protac.mol2", "smiles": "CC1(N)CCN(C2=CN=C(C3=CC(OCCOCCOCCOCCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=CC(Cl)=C3Cl)C(N)=N2)CC1", "label": 0}, "5132": {"pro_comp_id": 2994, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "SHP2_Q06124_334_lig_smina_out.mol2", "protac_path": "2994_protac.mol2", "smiles": "CC1=NC(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)=C(CO)N=C1C1=CC=C(OCCOCCOCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C(Cl)=C1Cl", "label": -1}, "5133": {"pro_comp_id": 2994, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "SHP2_Q06124_334_lig_smina_out.mol2", "protac_path": "2994_protac.mol2", "smiles": "CC1=NC(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)=C(CO)N=C1C1=CC=C(OCCOCCOCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C(Cl)=C1Cl", "label": -1}, "5134": {"pro_comp_id": 2995, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "SHP2_Q06124_334_lig_smina_out.mol2", "protac_path": "2995_protac.mol2", "smiles": "CC1=NC(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)=C(CO)N=C1C1=CC=C(OCCOCCOCCOCCOCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C(Cl)=C1Cl", "label": -1}, "5135": {"pro_comp_id": 2995, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "SHP2_Q06124_334_lig_smina_out.mol2", "protac_path": "2995_protac.mol2", "smiles": "CC1=NC(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)=C(CO)N=C1C1=CC=C(OCCOCCOCCOCCOCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C(Cl)=C1Cl", "label": -1}, "5136": {"pro_comp_id": 2996, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "SHP2_Q06124_334_lig_smina_out.mol2", "protac_path": "2996_protac.mol2", "smiles": "CC1=NC(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)=C(CO)N=C1C1=CC=C(OCCOCCOCCOCCOCCOCCOCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C(Cl)=C1Cl", "label": -1}, "5137": {"pro_comp_id": 2996, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "SHP2_Q06124_334_lig_smina_out.mol2", "protac_path": "2996_protac.mol2", "smiles": "CC1=NC(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)=C(CO)N=C1C1=CC=C(OCCOCCOCCOCCOCCOCCOCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C(Cl)=C1Cl", "label": -1}, "5138": {"pro_comp_id": 2997, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "Wee1_P30291_138_lig_smina_out.mol2", "protac_path": "2997_protac.mol2", "smiles": "C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1", "label": -1}, "5139": {"pro_comp_id": 2998, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "Wee1_P30291_138_lig_smina_out.mol2", "protac_path": "2998_protac.mol2", "smiles": "C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CCCC(=O)NCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1", "label": -1}, "5140": {"pro_comp_id": 2999, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "Wee1_P30291_138_lig_smina_out.mol2", "protac_path": "2999_protac.mol2", "smiles": "C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CCCC(=O)NCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1", "label": -1}, "5141": {"pro_comp_id": 3000, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "Wee1_P30291_138_lig_smina_out.mol2", "protac_path": "3000_protac.mol2", "smiles": "C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CCCC(=O)NCCCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1", "label": -1}, "5142": {"pro_comp_id": 3001, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "Wee1_P30291_138_lig_smina_out.mol2", "protac_path": "3001_protac.mol2", "smiles": "C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CCCC(=O)NCCCCCCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1", "label": -1}, "5143": {"pro_comp_id": 3002, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "Wee1_P30291_138_lig_smina_out.mol2", "protac_path": "3002_protac.mol2", "smiles": "C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CCCC(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1", "label": -1}, "5144": {"pro_comp_id": 3003, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "Wee1_P30291_138_lig_smina_out.mol2", "protac_path": "3003_protac.mol2", "smiles": "C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CCCC(=O)NCCOCCOCCOCCOCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1", "label": -1}, "5145": {"pro_comp_id": 3004, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Wee1_P30291_138_lig_smina_out.mol2", "protac_path": "3004_protac.mol2", "smiles": "C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CCCC(=O)NCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1", "label": -1}, "5146": {"pro_comp_id": 3005, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Wee1_P30291_138_lig_smina_out.mol2", "protac_path": "3005_protac.mol2", "smiles": "C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CCCC(=O)NCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1", "label": -1}, "5147": {"pro_comp_id": 3006, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Wee1_P30291_138_lig_smina_out.mol2", "protac_path": "3006_protac.mol2", "smiles": "C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CCCC(=O)NCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1", "label": -1}, "5148": {"pro_comp_id": 3007, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Wee1_P30291_138_lig_smina_out.mol2", "protac_path": "3007_protac.mol2", "smiles": "C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CCCC(=O)NCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1", "label": -1}, "5149": {"pro_comp_id": 3008, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Wee1_P30291_138_lig_smina_out.mol2", "protac_path": "3008_protac.mol2", "smiles": "C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CCCC(=O)NCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1", "label": -1}, "5150": {"pro_comp_id": 3009, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Wee1_P30291_138_lig_smina_out.mol2", "protac_path": "3009_protac.mol2", "smiles": "C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CCCC(=O)NCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1", "label": -1}, "5151": {"pro_comp_id": 3010, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Wee1_P30291_138_lig_smina_out.mol2", "protac_path": "3010_protac.mol2", "smiles": "C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CCCC(=O)NCCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1", "label": -1}, "5152": {"pro_comp_id": 3011, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Wee1_P30291_138_lig_smina_out.mol2", "protac_path": "3011_protac.mol2", "smiles": "C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CCCC(=O)NCCOCCOCC(=O)NCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1", "label": -1}, "5153": {"pro_comp_id": 3012, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Wee1_P30291_138_lig_smina_out.mol2", "protac_path": "3012_protac.mol2", "smiles": "C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CCCC(=O)NCCOCCOCCOCC(=O)NCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1", "label": -1}, "5154": {"pro_comp_id": 3013, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Wee1_P30291_138_lig_smina_out.mol2", "protac_path": "3013_protac.mol2", "smiles": "C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CCCC(=O)NCCCC(=O)NCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1", "label": -1}, "5155": {"pro_comp_id": 3014, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Wee1_P30291_138_lig_smina_out.mol2", "protac_path": "3014_protac.mol2", "smiles": "C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CCCC(=O)NCCCCCC(=O)NCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1", "label": -1}, "5156": {"pro_comp_id": 3015, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Wee1_P30291_138_lig_smina_out.mol2", "protac_path": "3015_protac.mol2", "smiles": "C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CCCC(=O)NCCCCCCCC(=O)NCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1", "label": -1}, "5157": {"pro_comp_id": 3016, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Wee1_P30291_138_lig_smina_out.mol2", "protac_path": "3016_protac.mol2", "smiles": "C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CCCC(=O)NCCCCCCCCCCC(=O)NCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1", "label": -1}, "5158": {"pro_comp_id": 3017, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AR_P10275_204_lig_smina_out.mol2", "protac_path": "3017_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOC3=CC=C(C4=CSC(N5CCOCC5)=N4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "5159": {"pro_comp_id": 3018, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AR_P10275_204_lig_smina_out.mol2", "protac_path": "3018_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCOC3=CC=C(C4=CSC(N5CCOCC5)=N4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "5160": {"pro_comp_id": 3019, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AR_P10275_204_lig_smina_out.mol2", "protac_path": "3019_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COC3=CC=C(C4=CSC(N5CCOCC5)=N4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "5161": {"pro_comp_id": 3020, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AR_P10275_204_lig_smina_out.mol2", "protac_path": "3020_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3=CC=C(C4=CSC(N5CCOCC5)=N4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "5162": {"pro_comp_id": 3021, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AR_P10275_204_lig_smina_out.mol2", "protac_path": "3021_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCOC3=CC=C(C4=CSC(N5CCOCC5)=N4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "5163": {"pro_comp_id": 3022, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AR_P10275_204_lig_smina_out.mol2", "protac_path": "3022_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCOC3=CC=C(C4=CSC(N5CCOCC5)=N4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5164": {"pro_comp_id": 3023, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AR_P10275_204_lig_smina_out.mol2", "protac_path": "3023_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCOC3=CC=C(C4=CSC(N5CCOC(C)C5)=N4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5165": {"pro_comp_id": 3024, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AR_P10275_204_lig_smina_out.mol2", "protac_path": "3024_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCOC3=CC=C(C4=CSC(N5CCOCC5C)=N4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "5166": {"pro_comp_id": 3025, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AR_P10275_204_lig_smina_out.mol2", "protac_path": "3025_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCOC3=CC=C(C4=CSC(N5CC(C)OC(C)C5)=N4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5167": {"pro_comp_id": 3026, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AR_P10275_204_lig_smina_out.mol2", "protac_path": "3026_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCOC3=CC=C(C4=CSC(N5CC(C)OCC5C)=N4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5168": {"pro_comp_id": 3027, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AR_P10275_204_lig_smina_out.mol2", "protac_path": "3027_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCOC3=CC=C(C4=CSC(N5CCOC(C)(C)C5)=N4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "5169": {"pro_comp_id": 3028, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AR_P10275_204_lig_smina_out.mol2", "protac_path": "3028_protac.mol2", "smiles": "CCC1COCCN1C1=NC(C2=CC=C(OCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C=C2)=CS1", "label": -1}, "5170": {"pro_comp_id": 3029, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AR_P10275_204_lig_smina_out.mol2", "protac_path": "3029_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCOC3=CC=C(C4=CSC(N5CC6CCC(C5)O6)=N4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "5171": {"pro_comp_id": 3030, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AR_P10275_204_lig_smina_out.mol2", "protac_path": "3030_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCOC3=CC=C(C4=CSC(N5CC6(COC6)C5)=N4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5172": {"pro_comp_id": 3031, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AR_P10275_204_lig_smina_out.mol2", "protac_path": "3031_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCOC3=CC=C(C4=CSC(N5CCC6(COC6)C5)=N4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5173": {"pro_comp_id": 3032, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AR_P10275_204_lig_smina_out.mol2", "protac_path": "3032_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCOC3=CC=C(C4=CSC(N5CC6(CCOCC6)C5)=N4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5174": {"pro_comp_id": 3033, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AR_P10275_204_lig_smina_out.mol2", "protac_path": "3033_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCOC3=CC=C(C4=CSC(N5CCOCC5)=N4)C=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5175": {"pro_comp_id": 3034, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AR_P10275_204_lig_smina_out.mol2", "protac_path": "3034_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCOC3=CC=C(C4=CSC(N5CCOCC5)=N4)C(F)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5176": {"pro_comp_id": 3035, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AR_P10275_204_lig_smina_out.mol2", "protac_path": "3035_protac.mol2", "smiles": "COC1=C(C2=CSC(N3CCOCC3)=N2)C=CC(OCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=C1F", "label": 0}, "5177": {"pro_comp_id": 3036, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AR_P10275_204_lig_smina_out.mol2", "protac_path": "3036_protac.mol2", "smiles": "CC1=CC(OCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1C1=CSC(N2CCOCC2)=N1", "label": -1}, "5178": {"pro_comp_id": 3037, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AR_P10275_204_lig_smina_out.mol2", "protac_path": "3037_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCOC3=CC=C(C4=CSC(N5CCOCC5)=N4)C=C3[N+](=O)[O-])C(C)(C)C)C=C2)SC=N1", "label": -1}, "5179": {"pro_comp_id": 3038, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AR_P10275_204_lig_smina_out.mol2", "protac_path": "3038_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCOC3=CC=C(C4=CSC(N5CCOCC5)=N4)C=C3N)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5180": {"pro_comp_id": 3039, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "AR_P10275_204_lig_smina_out.mol2", "protac_path": "3039_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCOC3=CC=C(C4=CSC(N5CCOCC5)=N4)C=C3)=C2)SC=N1", "label": -1}, "5181": {"pro_comp_id": 3040, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "AR_P10275_204_lig_smina_out.mol2", "protac_path": "3040_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCCOC3=CC=C(C4=CSC(N5CCOCC5)=N4)C=C3)=C2)SC=N1", "label": -1}, "5182": {"pro_comp_id": 3041, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "AR_P10275_204_lig_smina_out.mol2", "protac_path": "3041_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCCCOC3=CC=C(C4=CSC(N5CCOCC5)=N4)C=C3)=C2)SC=N1", "label": -1}, "5183": {"pro_comp_id": 3042, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "AR_P10275_204_lig_smina_out.mol2", "protac_path": "3042_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCCCCCOC3=CC=C(C4=CSC(N5CCOCC5)=N4)C=C3)=C2)SC=N1", "label": -1}, "5184": {"pro_comp_id": 3043, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "AR_P10275_204_lig_smina_out.mol2", "protac_path": "3043_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCCCCCCCOC3=CC=C(C4=CSC(N5CCOCC5)=N4)C=C3)=C2)SC=N1", "label": -1}, "5185": {"pro_comp_id": 3044, "tar_path": "TACC3_Q9Y6A5.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_38_lig_smina_out.mol2", "war_path": "TACC3_Q9Y6A5_335_lig_smina_out.mol2", "protac_path": "3044_protac.mol2", "smiles": "CC(C)CNC1=CC=NC(NCC2=CSC(C3=CC=C(C(=O)NCCOCCOCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CC4=CC=CC=C4)C=C3)=N2)=N1", "label": -1}, "5186": {"pro_comp_id": 3045, "tar_path": "TACC3_Q9Y6A5.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_38_lig_smina_out.mol2", "war_path": "TACC3_Q9Y6A5_335_lig_smina_out.mol2", "protac_path": "3045_protac.mol2", "smiles": "CC(C)CNC1=CC=NC(NCC2=CSC(C3=CC=C(C(=O)NCCOCCOCCOCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CC4=CC=CC=C4)C=C3)=N2)=N1", "label": -1}, "5194": {"pro_comp_id": 3053, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "AR_P10275_336_lig_smina_out.mol2", "protac_path": "3053_protac.mol2", "smiles": "C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCC(CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1", "label": 1}, "5195": {"pro_comp_id": 3053, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "AR_P10275_336_lig_smina_out.mol2", "protac_path": "3053_protac.mol2", "smiles": "C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCC(CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1", "label": -1}, "5196": {"pro_comp_id": 3053, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "AR_P10275_336_lig_smina_out.mol2", "protac_path": "3053_protac.mol2", "smiles": "C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCC(CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1", "label": -1}, "5197": {"pro_comp_id": 3053, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "AR_P10275_336_lig_smina_out.mol2", "protac_path": "3053_protac.mol2", "smiles": "C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCC(CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1", "label": -1}, "5198": {"pro_comp_id": 3053, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "AR_P10275_336_lig_smina_out.mol2", "protac_path": "3053_protac.mol2", "smiles": "C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCC(CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1", "label": -1}, "5199": {"pro_comp_id": 3053, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "AR_P10275_336_lig_smina_out.mol2", "protac_path": "3053_protac.mol2", "smiles": "C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCC(CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1", "label": -1}, "5200": {"pro_comp_id": 3053, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "AR_P10275_336_lig_smina_out.mol2", "protac_path": "3053_protac.mol2", "smiles": "C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCC(CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1", "label": -1}, "5201": {"pro_comp_id": 3053, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "AR_P10275_336_lig_smina_out.mol2", "protac_path": "3053_protac.mol2", "smiles": "C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCC(CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1", "label": -1}, "5202": {"pro_comp_id": 3053, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "AR_P10275_336_lig_smina_out.mol2", "protac_path": "3053_protac.mol2", "smiles": "C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCC(CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1", "label": -1}, "5203": {"pro_comp_id": 3053, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "AR_P10275_336_lig_smina_out.mol2", "protac_path": "3053_protac.mol2", "smiles": "C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCC(CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1", "label": -1}, "5204": {"pro_comp_id": 3053, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "AR_P10275_336_lig_smina_out.mol2", "protac_path": "3053_protac.mol2", "smiles": "C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCC(CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1", "label": -1}, "5205": {"pro_comp_id": 3053, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "AR_P10275_336_lig_smina_out.mol2", "protac_path": "3053_protac.mol2", "smiles": "C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCC(CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1", "label": -1}, "5206": {"pro_comp_id": 3053, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "AR_P10275_336_lig_smina_out.mol2", "protac_path": "3053_protac.mol2", "smiles": "C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCC(CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1", "label": -1}, "5207": {"pro_comp_id": 3053, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "AR_P10275_336_lig_smina_out.mol2", "protac_path": "3053_protac.mol2", "smiles": "C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCC(CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1", "label": -1}, "5208": {"pro_comp_id": 3054, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "AR_P10275_337_lig_smina_out.mol2", "protac_path": "3054_protac.mol2", "smiles": "CC1=C(N2CCC3(CCN(C4=CC=C(C(=O)N5CCC(N6CC7=CC8=C(C=C7C6)C(=O)N(C6CCC(=O)NC6=O)C8=O)CC5)C=C4)CC3)C2C)C=CC(C#N)=C1Cl", "label": 1}, "5209": {"pro_comp_id": 3055, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "AR_P10275_337_lig_smina_out.mol2", "protac_path": "3055_protac.mol2", "smiles": "CC1=C(N2CCC3(CCN(C4=CC=C(C(=O)N5CCC(CN6CC7=CC8=C(C=C7C6)C(=O)N(C6CCC(=O)NC6=O)C8=O)CC5)C=C4)CC3)C2C)C=CC(C#N)=C1Cl", "label": 1}, "5210": {"pro_comp_id": 3056, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "AR_P10275_336_lig_smina_out.mol2", "protac_path": "3056_protac.mol2", "smiles": "COC1(CN2CC3=CC4=C(C=C3C2)C(=O)N(C2CCC(=O)NC2=O)C4=O)CCN(C(=O)C2=CC=C(N3CCC4(CC3)C[C@H](C)N(C3=CC=C(C#N)C(Cl)=C3)C4)C=C2)CC1", "label": 1}, "5211": {"pro_comp_id": 3056, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "AR_P10275_336_lig_smina_out.mol2", "protac_path": "3056_protac.mol2", "smiles": "COC1(CN2CC3=CC4=C(C=C3C2)C(=O)N(C2CCC(=O)NC2=O)C4=O)CCN(C(=O)C2=CC=C(N3CCC4(CC3)C[C@H](C)N(C3=CC=C(C#N)C(Cl)=C3)C4)C=C2)CC1", "label": -1}, "5212": {"pro_comp_id": 3057, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "AR_P10275_338_lig_smina_out.mol2", "protac_path": "3057_protac.mol2", "smiles": "CC[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCC(N5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1", "label": 1}, "5213": {"pro_comp_id": 3058, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_338_lig_smina_out.mol2", "protac_path": "3058_protac.mol2", "smiles": "CC[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCN(C5CN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)C5)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1", "label": 1}, "5214": {"pro_comp_id": 3059, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "AR_P10275_336_lig_smina_out.mol2", "protac_path": "3059_protac.mol2", "smiles": "C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CC(CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)C4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1", "label": 1}, "5215": {"pro_comp_id": 3059, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "AR_P10275_336_lig_smina_out.mol2", "protac_path": "3059_protac.mol2", "smiles": "C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CC(CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)C4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1", "label": -1}, "5216": {"pro_comp_id": 3060, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_76_lig_smina_out.mol2", "war_path": "AR_P10275_336_lig_smina_out.mol2", "protac_path": "3060_protac.mol2", "smiles": "C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCC(F)(CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1", "label": 1}, "5217": {"pro_comp_id": 3061, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "AR_P10275_336_lig_smina_out.mol2", "protac_path": "3061_protac.mol2", "smiles": "C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCC5(CC4)CC(N4CC6=CC7=C(C=C6C4)C(=O)N(C4CCC(=O)NC4=O)C7=O)C5)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1", "label": 1}, "5218": {"pro_comp_id": 3062, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "AR_P10275_336_lig_smina_out.mol2", "protac_path": "3062_protac.mol2", "smiles": "C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCN(CC(=O)N5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1", "label": 1}, "5219": {"pro_comp_id": 3063, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "AR_P10275_336_lig_smina_out.mol2", "protac_path": "3063_protac.mol2", "smiles": "C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCN(C(=O)CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1", "label": 1}, "5220": {"pro_comp_id": 3064, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_76_lig_smina_out.mol2", "war_path": "AR_P10275_336_lig_smina_out.mol2", "protac_path": "3064_protac.mol2", "smiles": "C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCN(C(=O)CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1", "label": 1}, "5221": {"pro_comp_id": 3065, "tar_path": "IRAK1_P51617.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "IRAK1_P51617_339_lig_smina_out.mol2", "protac_path": "3065_protac.mol2", "smiles": "COC1=CC(N2CCC(OCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC(=O)C1=CC=CC(C2=CC=N[NH]2)=N1", "label": 1}, "5222": {"pro_comp_id": 3066, "tar_path": "IRAK1_P51617.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "IRAK1_P51617_339_lig_smina_out.mol2", "protac_path": "3066_protac.mol2", "smiles": "COC1=CC(N2CCC(OCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC(=O)C1=CC=CC(C2=CC=N[NH]2)=N1", "label": 1}, "5223": {"pro_comp_id": 3067, "tar_path": "IRAK1_P51617.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "IRAK1_P51617_339_lig_smina_out.mol2", "protac_path": "3067_protac.mol2", "smiles": "COC1=CC(N2CCN(C(=O)OCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC(=O)C1=CC=CC(C2=CC=N[NH]2)=N1", "label": 1}, "5224": {"pro_comp_id": 3068, "tar_path": "IRAK1_P51617.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "IRAK1_P51617_339_lig_smina_out.mol2", "protac_path": "3068_protac.mol2", "smiles": "COC1=CC(N2CCN(C(=O)OCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC(=O)C1=CC=CC(C2=CC=N[NH]2)=N1", "label": 1}, "5225": {"pro_comp_id": 3069, "tar_path": "IRAK1_P51617.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "IRAK1_P51617_339_lig_smina_out.mol2", "protac_path": "3069_protac.mol2", "smiles": "COC1=CC(N2CCC(OCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3F)C(C)(C)C)CC2)=CC=C1NC(=O)C1=CC=CC(C2=CC=N[NH]2)=N1", "label": 1}, "5226": {"pro_comp_id": 3070, "tar_path": "IRAK1_P51617.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "IRAK1_P51617_339_lig_smina_out.mol2", "protac_path": "3070_protac.mol2", "smiles": "COC1=CC(N2CC[C@@H](OCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C[C@@H]2C)=CC=C1NC(=O)C1=CC=CC(C2=CC=N[NH]2)=N1", "label": 1}, "5227": {"pro_comp_id": 3071, "tar_path": "IRAK1_P51617.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "IRAK1_P51617_339_lig_smina_out.mol2", "protac_path": "3071_protac.mol2", "smiles": "COC1=CC(N2CC[C@@H](OCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)[C@H](C)C2)=CC=C1NC(=O)C1=CC=CC(C2=CC=N[NH]2)=N1", "label": 1}, "5228": {"pro_comp_id": 3072, "tar_path": "IRAK1_P51617.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "IRAK1_P51617_339_lig_smina_out.mol2", "protac_path": "3072_protac.mol2", "smiles": "COC1=CC(N2CC[C@H](OCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)[C@@H](C)C2)=CC=C1NC(=O)C1=CC=CC(C2=CC=N[NH]2)=N1", "label": 1}, "5229": {"pro_comp_id": 3073, "tar_path": "JAK2_O60674.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "JAK2_O60674_341_lig_smina_out.mol2", "protac_path": "3073_protac.mol2", "smiles": "CCCN1C=C(C2=NC(NC3=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC3=C2C=C[NH]3)C=N1", "label": -1}, "5230": {"pro_comp_id": 3074, "tar_path": "JAK2_O60674.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "JAK2_O60674_341_lig_smina_out.mol2", "protac_path": "3074_protac.mol2", "smiles": "CCCN1C=C(C2=NC(NC3=CC=C(C(=O)NCCCCCC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)C=C3)=NC3=C2C=C[NH]3)C=N1", "label": -1}, "5231": {"pro_comp_id": 3075, "tar_path": "JAK2_O60674.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "JAK2_O60674_341_lig_smina_out.mol2", "protac_path": "3075_protac.mol2", "smiles": "CCCN1C=C(C2=NC(NC3=CC=C(C(=O)NCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC3=C2C=C[NH]3)C=N1", "label": -1}, "5232": {"pro_comp_id": 3076, "tar_path": "JAK2_O60674.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "JAK2_O60674_341_lig_smina_out.mol2", "protac_path": "3076_protac.mol2", "smiles": "CCCN1C=C(C2=NC(NC3=CC=C(C(=O)NCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC3=C2C=C[NH]3)C=N1", "label": -1}, "5233": {"pro_comp_id": 3077, "tar_path": "JAK2_O60674.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "JAK2_O60674_341_lig_smina_out.mol2", "protac_path": "3077_protac.mol2", "smiles": "CCCN1C=C(C2=NC(NC3=CC=C(C(=O)NCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC3=C2C=C[NH]3)C=N1", "label": -1}, "5234": {"pro_comp_id": 3078, "tar_path": "JAK2_O60674.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "JAK2_O60674_341_lig_smina_out.mol2", "protac_path": "3078_protac.mol2", "smiles": "CCCN1C=C(C2=NC(NC3=CC=C(C(=O)NCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC3=C2C=C[NH]3)C=N1", "label": -1}, "5235": {"pro_comp_id": 3079, "tar_path": "JAK2_O60674.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "JAK2_O60674_341_lig_smina_out.mol2", "protac_path": "3079_protac.mol2", "smiles": "CCCN1C=C(C2=NC(NC3=CC=C(C(=O)NCCOCCOCCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC3=C2C=C[NH]3)C=N1", "label": -1}, "5236": {"pro_comp_id": 3080, "tar_path": "JAK2_O60674.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "JAK2_O60674_341_lig_smina_out.mol2", "protac_path": "3080_protac.mol2", "smiles": "CCCN1C=C(C2=NC(NC3=CC=C(C(=O)NCCOCCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC3=C2C=C[NH]3)C=N1", "label": -1}, "5237": {"pro_comp_id": 3081, "tar_path": "JAK2_O60674.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "JAK2_O60674_341_lig_smina_out.mol2", "protac_path": "3081_protac.mol2", "smiles": "CCCN1C=C(C2=NC(NC3=CC=C(C(=O)NCCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC3=C2C=C[NH]3)C=N1", "label": -1}, "5238": {"pro_comp_id": 3082, "tar_path": "JAK2_O60674.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "JAK2_O60674_340_lig_smina_out.mol2", "protac_path": "3082_protac.mol2", "smiles": "N#CC[C@H](C1CCCC1)N1C=C(C2=NC(NC3=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC3=C2C=C[NH]3)C=N1", "label": -1}, "5239": {"pro_comp_id": 3083, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_342_lig_smina_out.mol2", "protac_path": "3083_protac.mol2", "smiles": "NC(=O)C1=C2NCC[C@@H](C3CCN(C(=O)C4=CN(CCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)N2N=C1C1=CC=C(OC2=CC=CC=C2)C=C1", "label": 1}, "5240": {"pro_comp_id": 3084, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "BTK_Q06187_342_lig_smina_out.mol2", "protac_path": "3084_protac.mol2", "smiles": "NC(=O)C1=C2NCC[C@@H](C3CCN(C(=O)C4=CN(CCOCCOCCOCCOCCOCCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)N=N4)CC3)N2N=C1C1=CC=C(OC2=CC=CC=C2)C=C1", "label": 1}, "5241": {"pro_comp_id": 3085, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_342_lig_smina_out.mol2", "protac_path": "3085_protac.mol2", "smiles": "NC(=O)C1=C2NCC[C@@H](C3CCN(C(=O)C4=CN(CCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)N2N=C1C1=CC=C(OC2=CC=CC=C2)C=C1", "label": 1}, "5242": {"pro_comp_id": 3086, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_342_lig_smina_out.mol2", "protac_path": "3086_protac.mol2", "smiles": "NC(=O)C1=C2NCC[C@@H](C3CCN(C(=O)C4=CN(CCOCCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)N2N=C1C1=CC=C(OC2=CC=CC=C2)C=C1", "label": 0}, "5243": {"pro_comp_id": 3087, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "BTK_Q06187_342_lig_smina_out.mol2", "protac_path": "3087_protac.mol2", "smiles": "NC(=O)C1=C2NCC[C@@H](C3CCN(C(=O)C4=CN(CCOCCOCC(=O)NC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)N=N4)CC3)N2N=C1C1=CC=C(OC2=CC=CC=C2)C=C1", "label": 1}, "5244": {"pro_comp_id": 3088, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_342_lig_smina_out.mol2", "protac_path": "3088_protac.mol2", "smiles": "NC(=O)C1=C2NCC[C@@H](C3CCN(C(=O)CCC4=CC=C(N5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)C=C4)CC3)N2N=C1C1=CC=C(OC2=CC=CC=C2)C=C1", "label": 1}, "5245": {"pro_comp_id": 3089, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "BTK_Q06187_342_lig_smina_out.mol2", "protac_path": "3089_protac.mol2", "smiles": "NC(=O)C1=C2NCC[C@@H](C3CCN(C(=O)CCCC4=CC=C(NC(=O)CNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)C=C4)CC3)N2N=C1C1=CC=C(OC2=CC=CC=C2)C=C1", "label": 1}, "5246": {"pro_comp_id": 3090, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "BTK_Q06187_342_lig_smina_out.mol2", "protac_path": "3090_protac.mol2", "smiles": "NC(=O)C1=C2NCC[C@@H](C3CCN(C(=O)CCN4CCN(C(=O)CNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)N2N=C1C1=CC=C(OC2=CC=CC=C2)C=C1", "label": 1}, "5247": {"pro_comp_id": 3091, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_342_lig_smina_out.mol2", "protac_path": "3091_protac.mol2", "smiles": "CN(CCC(=O)N1CCC([C@@H]2CCNC3=C(C(N)=O)C(C4=CC=C(OC5=CC=CC=C5)C=C4)=NN32)CC1)CC1CCN(C2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CC1", "label": 1}, "5248": {"pro_comp_id": 3092, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_342_lig_smina_out.mol2", "protac_path": "3092_protac.mol2", "smiles": "NC(=O)C1=C2NCC[C@@H](C3CCN(C(=O)CCC4CCC(N5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)CC3)N2N=C1C1=CC=C(OC2=CC=CC=C2)C=C1", "label": 1}, "5249": {"pro_comp_id": 3093, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "BTK_Q06187_342_lig_smina_out.mol2", "protac_path": "3093_protac.mol2", "smiles": "NC(=O)C1=C2NCC[C@@H](C3CCN(C(=O)CCCN4CCN(C(=O)CNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)N2N=C1C1=CC=C(OC2=CC=CC=C2)C=C1", "label": 1}, "5250": {"pro_comp_id": 3094, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_77_lig_smina_out.mol2", "war_path": "BTK_Q06187_342_lig_smina_out.mol2", "protac_path": "3094_protac.mol2", "smiles": "CN(CC1CCN(C(=O)C2=CC=C(N3CCC(=O)NC3=O)C=C2)CC1)C1CC(C(=O)N2CCC([C@@H]3CCNC4=C(C(N)=O)C(C5=CC=C(OC6=CC=CC=C6)C=C5)=NN43)CC2)C1", "label": 1}, "5251": {"pro_comp_id": 3095, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_78_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_343_lig_smina_out.mol2", "protac_path": "3095_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C(C)=C2C)=CC(OC)=C1CCN1CCC(OC2CCN(C(=O)C3=CC=C(Cl)C(N4CCC(=O)NC4=O)=C3)CC2)CC1", "label": 1}, "5252": {"pro_comp_id": 3096, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_78_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_125_lig_smina_out.mol2", "protac_path": "3096_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CCN1CCC(OC2CCN(C(=O)C3=CC=C(Cl)C(N4CCC(=O)NC4=O)=C3)CC2)CC1", "label": 1}, "5253": {"pro_comp_id": 3097, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_78_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_344_lig_smina_out.mol2", "protac_path": "3097_protac.mol2", "smiles": "CCCCN1C=C(C2=CC=C(OC3CCN(CC4CCN(C(=O)C5=CC=C(Cl)C(N6CCC(=O)NC6=O)=C5)CC4)CC3)C(OC)=C2)C2=CC=NC=C2C1=O", "label": 1}, "5254": {"pro_comp_id": 3098, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_78_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_345_lig_smina_out.mol2", "protac_path": "3098_protac.mol2", "smiles": "CCCCN1C=C(C2=CC(OC)=C(OC3CCN(CC4CCN(C(=O)C5=CC=C(Cl)C(N6CCC(=O)NC6=O)=C5)CC4)CC3)C(OC)=C2)C2=CC=NC=C2C1=O", "label": 1}, "5255": {"pro_comp_id": 3099, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_79_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_344_lig_smina_out.mol2", "protac_path": "3099_protac.mol2", "smiles": "CCCCN1C=C(C2=CC=C(O[C@H]3CCN(CC4CCN(C(=O)C5=CC=C(OC)C(N6CCC(=O)NC6=O)=C5)CC4)C[C@@H]3F)C(OC)=C2)C2=CC=NC=C2C1=O", "label": 1}, "5256": {"pro_comp_id": 3100, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_79_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_346_lig_smina_out.mol2", "protac_path": "3100_protac.mol2", "smiles": "CCCCN1C=C(C2=CC(F)=C(O[C@H]3CCN(CC4CCN(C(=O)C5=CC=C(OC)C(N6CCC(=O)NC6=O)=C5)CC4)C[C@@H]3F)C(F)=C2)C2=CC=NC=C2C1=O", "label": 1}, "5257": {"pro_comp_id": 3101, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_347_lig_smina_out.mol2", "protac_path": "3101_protac.mol2", "smiles": "NC1=NN=C(C2=CC=CC=C2O)C=C1N1CCN(C2=CC=CC(CN3CCN(C(=O)C4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)=C2)C2(CC2)C1", "label": 1}, "5258": {"pro_comp_id": 3102, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_348_lig_smina_out.mol2", "protac_path": "3102_protac.mol2", "smiles": "NC1=NN=C(C2=CC=CC=C2O)C=C1N1CC2CCC(C1)N2C1=CC=CC(OCCN2CCN(CC3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)CC2)=C1", "label": 1}, "5259": {"pro_comp_id": 3103, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_348_lig_smina_out.mol2", "protac_path": "3103_protac.mol2", "smiles": "NC1=NN=C(C2=CC=CC=C2O)C=C1N1CC2CCC(C1)N2C1=CC=CC(OCCN2CCN(CCCC3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)CC2)=C1", "label": 1}, "5260": {"pro_comp_id": 3104, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_80_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_349_lig_smina_out.mol2", "protac_path": "3104_protac.mol2", "smiles": "NC1=NN=C(C2=CC=CC=C2O)C=C1N1CC(OC2=CC=CC(CN3CCN(C(=O)CN4CCC(C5=CC=C(NC6CCC(=O)NC6=O)C=C5)CC4)CC3)=C2)C1", "label": 1}, "5261": {"pro_comp_id": 3105, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_348_lig_smina_out.mol2", "protac_path": "3105_protac.mol2", "smiles": "NC1=NN=C(C2=CC(F)=CC=C2O)C=C1N1CC2CCC(C1)N2C1=CC=CC(CN2CCN(C(=O)C3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)CC2)=C1", "label": 1}, "5262": {"pro_comp_id": 3106, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_74_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_350_lig_smina_out.mol2", "protac_path": "3106_protac.mol2", "smiles": "NC1=NN=C(C2=CC=CC=C2O)C=C1N1CCC(C(=O)N2CCC(C(=O)N3CCN(C4=CC=C(C5CCC(=O)NC5=O)C=C4)CC3)CC2)(C2=CC=CC=C2)CC1", "label": 1}, "5263": {"pro_comp_id": 3107, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_351_lig_smina_out.mol2", "protac_path": "3107_protac.mol2", "smiles": "CCN(C)S(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(N5CCN(C(=O)CCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)N=C4)C=C23)=C1F", "label": 1}, "5264": {"pro_comp_id": 3108, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_351_lig_smina_out.mol2", "protac_path": "3108_protac.mol2", "smiles": "CCN(C)S(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(N5CCN(C(=O)[C@H]6C[C@H](NC7=CC=CC8=C7C(=O)N(C7CCC(=O)NC7=O)C8=O)C6)CC5)N=C4)C=C23)=C1F", "label": 1}, "5265": {"pro_comp_id": 3109, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_351_lig_smina_out.mol2", "protac_path": "3109_protac.mol2", "smiles": "CCN(C)S(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(N5CCN(C(=O)CCCOC6=CC=CC7=C6CN(C6CCC(=O)NC6=O)C7=O)CC5)N=C4)C=C23)=C1F", "label": 1}, "5266": {"pro_comp_id": 3110, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_351_lig_smina_out.mol2", "protac_path": "3110_protac.mol2", "smiles": "CCN(C)S(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CN=C(N5CCN(C(=O)CCCOC6=CC=CC7=C6CN(C6CCC(=O)NC6=O)C7=O)CC5)N=C4)C=C23)=C1F", "label": 1}, "5267": {"pro_comp_id": 3111, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_351_lig_smina_out.mol2", "protac_path": "3111_protac.mol2", "smiles": "CCN(C)S(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(N5CCN(C(=O)[C@H]6C[C@H](NC7=CC=CC8=C7C(=O)N(C7CCC(=O)NC7=O)C8=O)C6)CC5)C=C4)C=C23)=C1F", "label": 1}, "5268": {"pro_comp_id": 3112, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_351_lig_smina_out.mol2", "protac_path": "3112_protac.mol2", "smiles": "CCN(C)S(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(N5CCN(C(=O)CCCOC6=CC=CC7=C6CN(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)C=C23)=C1F", "label": 1}, "5269": {"pro_comp_id": 3113, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_9_lig_smina_out.mol2", "war_path": "MDM2_Q00987_68_lig_smina_out.mol2", "protac_path": "3113_protac.mol2", "smiles": "CCOC1=CC(C(C)(C)C)=CC=C1C1=NC(C2=CC=C(Cl)C=C2)C(C2=CC=C(Cl)C=C2)N1C(=O)N1CCN(CCCCCCCCCN2CCN(C(=O)N3C(C4=CC=C(C(C)(C)C)C=C4OCC)=NC(C4=CC=C(Cl)C=C4)C3C3=CC=C(Cl)C=C3)CC2)CC1", "label": -1}, "5270": {"pro_comp_id": 3114, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_9_lig_smina_out.mol2", "war_path": "MDM2_Q00987_68_lig_smina_out.mol2", "protac_path": "3114_protac.mol2", "smiles": "CCOC1=CC(C(C)(C)C)=CC=C1C1=NC(C2=CC=C(Cl)C=C2)C(C2=CC=C(Cl)C=C2)N1C(=O)N1CCN(C(=O)CCCCCC(=O)N2CCN(C(=O)N3C(C4=CC=C(C(C)(C)C)C=C4OCC)=NC(C4=CC=C(Cl)C=C4)C3C3=CC=C(Cl)C=C3)CC2)CC1", "label": -1}, "5271": {"pro_comp_id": 3115, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_9_lig_smina_out.mol2", "war_path": "MDM2_Q00987_68_lig_smina_out.mol2", "protac_path": "3115_protac.mol2", "smiles": "CCOC1=CC(C(C)(C)C)=CC=C1C1=NC(C2=CC=C(Cl)C=C2)C(C2=CC=C(Cl)C=C2)N1C(=O)N1CCN(C(=O)CCCCCCCC(=O)N2CCN(C(=O)N3C(C4=CC=C(C(C)(C)C)C=C4OCC)=NC(C4=CC=C(Cl)C=C4)C3C3=CC=C(Cl)C=C3)CC2)CC1", "label": -1}, "5272": {"pro_comp_id": 3116, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_9_lig_smina_out.mol2", "war_path": "MDM2_Q00987_68_lig_smina_out.mol2", "protac_path": "3116_protac.mol2", "smiles": "CCOC1=CC(C(C)(C)C)=CC=C1C1=NC(C2=CC=C(Cl)C=C2)C(C2=CC=C(Cl)C=C2)N1C(=O)N1CCN(C(=O)CCCCCCCCCC(=O)N2CCN(C(=O)N3C(C4=CC=C(C(C)(C)C)C=C4OCC)=NC(C4=CC=C(Cl)C=C4)C3C3=CC=C(Cl)C=C3)CC2)CC1", "label": -1}, "5273": {"pro_comp_id": 3117, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_9_lig_smina_out.mol2", "war_path": "MDM2_Q00987_68_lig_smina_out.mol2", "protac_path": "3117_protac.mol2", "smiles": "CCOC1=CC(C(C)(C)C)=CC=C1C1=NC(C2=CC=C(Cl)C=C2)C(C2=CC=C(Cl)C=C2)N1C(=O)N1CCN(C(=O)CCCCCCCCCCCCCCC(=O)N2CCN(C(=O)N3C(C4=CC=C(C(C)(C)C)C=C4OCC)=NC(C4=CC=C(Cl)C=C4)C3C3=CC=C(Cl)C=C3)CC2)CC1", "label": -1}, "5274": {"pro_comp_id": 3118, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_9_lig_smina_out.mol2", "war_path": "MDM2_Q00987_68_lig_smina_out.mol2", "protac_path": "3118_protac.mol2", "smiles": "CCOC1=CC(C(C)(C)C)=CC=C1C1=NC(C2=CC=C(Cl)C=C2)C(C2=CC=C(Cl)C=C2)N1C(=O)N1CCN(C(=O)COCCOCC(=O)N2CCN(C(=O)N3C(C4=CC=C(C(C)(C)C)C=C4OCC)=NC(C4=CC=C(Cl)C=C4)C3C3=CC=C(Cl)C=C3)CC2)CC1", "label": -1}, "5275": {"pro_comp_id": 3119, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_9_lig_smina_out.mol2", "war_path": "MDM2_Q00987_68_lig_smina_out.mol2", "protac_path": "3119_protac.mol2", "smiles": "CCOC1=CC(C(C)(C)C)=CC=C1C1=NC(C2=CC=C(Cl)C=C2)C(C2=CC=C(Cl)C=C2)N1C(=O)N1CCN(C(=O)COCCOCCOCC(=O)N2CCN(C(=O)N3C(C4=CC=C(C(C)(C)C)C=C4OCC)=NC(C4=CC=C(Cl)C=C4)C3C3=CC=C(Cl)C=C3)CC2)CC1", "label": -1}, "5276": {"pro_comp_id": 3120, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_9_lig_smina_out.mol2", "war_path": "MDM2_Q00987_352_lig_smina_out.mol2", "protac_path": "3120_protac.mol2", "smiles": "CCOC1=CC(C(C)(C)C)=CC=C1C1=NC(C2=CC=C(Cl)C=C2)C(C2=CC=C(Cl)C=C2)N1C(=O)N1CCN(CC(=O)NCCOCCOCCOCCNC(=O)CN2CCN(C(=O)N3C(C4=CC=C(C(C)(C)C)C=C4OCC)=NC(C4=CC=C(Cl)C=C4)C3C3=CC=C(Cl)C=C3)CC2=O)C(=O)C1", "label": 0}, "5277": {"pro_comp_id": 3121, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_9_lig_smina_out.mol2", "war_path": "MDM2_Q00987_352_lig_smina_out.mol2", "protac_path": "3121_protac.mol2", "smiles": "CCOC1=CC(C(C)(C)C)=CC=C1C1=NC(C2=CC=C(Cl)C=C2)C(C2=CC=C(Cl)C=C2)N1C(=O)N1CCN(CC(=O)NCCOCCOCCNC(=O)CN2CCN(C(=O)N3C(C4=CC=C(C(C)(C)C)C=C4OCC)=NC(C4=CC=C(Cl)C=C4)C3C3=CC=C(Cl)C=C3)CC2=O)C(=O)C1", "label": -1}, "5278": {"pro_comp_id": 3122, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_9_lig_smina_out.mol2", "war_path": "MDM2_Q00987_352_lig_smina_out.mol2", "protac_path": "3122_protac.mol2", "smiles": "CCOC1=CC(C(C)(C)C)=CC=C1C1=NC(C2=CC=C(Cl)C=C2)C(C2=CC=C(Cl)C=C2)N1C(=O)N1CCN(CC(=O)NCCOCCNC(=O)CN2CCN(C(=O)N3C(C4=CC=C(C(C)(C)C)C=C4OCC)=NC(C4=CC=C(Cl)C=C4)C3C3=CC=C(Cl)C=C3)CC2=O)C(=O)C1", "label": -1}, "5279": {"pro_comp_id": 3123, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_46_lig_smina_out.mol2", "war_path": "MDM2_Q00987_353_lig_smina_out.mol2", "protac_path": "3123_protac.mol2", "smiles": "CCOC1=CC(C(C)(C)C)=CC=C1C1=N[C@@H](C2=CC=C(Cl)C=C2)[C@@H](C2=CC=C(Cl)C=C2)N1C(=O)N1CCN(CC(=O)NCCOCCOCCOCCNC(=O)CN2CCN(C(=O)N3C(C4=CC=C(C(C)(C)C)C=C4OCC)=N[C@@H](C4=CC=C(Cl)C=C4)[C@H]3C3=CC=C(Cl)C=C3)CC2=O)C(=O)C1", "label": -1}, "5280": {"pro_comp_id": 3124, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_37_lig_smina_out.mol2", "war_path": "MDM2_Q00987_354_lig_smina_out.mol2", "protac_path": "3124_protac.mol2", "smiles": "CCOC1=CC(C(C)(C)C)=CC=C1C1=N[C@H](C2=CC=C(Cl)C=C2)[C@H](C2=CC=C(Cl)C=C2)N1C(=O)N1CCN(CC(=O)NCCOCCOCCOCCNC(=O)CN2CCN(C(=O)N3C(C4=CC=C(C(C)(C)C)C=C4OCC)=N[C@H](C4=CC=C(Cl)C=C4)[C@@H]3C3=CC=C(Cl)C=C3)CC2=O)C(=O)C1", "label": -1}, "5281": {"pro_comp_id": 3125, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_37_lig_smina_out.mol2", "war_path": "MDM2_Q00987_353_lig_smina_out.mol2", "protac_path": "3125_protac.mol2", "smiles": "CCOC1=CC(C(C)(C)C)=CC=C1C1=N[C@H](C2=CC=C(Cl)C=C2)[C@H](C2=CC=C(Cl)C=C2)N1C(=O)N1CCN(CC(=O)NCCOCCOCCOCCNC(=O)CN2CCN(C(=O)N3C(C4=CC=C(C(C)(C)C)C=C4OCC)=N[C@@H](C4=CC=C(Cl)C=C4)[C@H]3C3=CC=C(Cl)C=C3)CC2=O)C(=O)C1", "label": -1}, "5300": {"pro_comp_id": 3144, "tar_path": "HMGCR_P04035.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HMGCR_P04035_356_lig_smina_out.mol2", "protac_path": "3144_protac.mol2", "smiles": "C[C@H]1C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]2[C@@H](OC(=O)NCCCOCCOCCOCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1", "label": -1}, "5301": {"pro_comp_id": 3145, "tar_path": "HMGCR_P04035.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HMGCR_P04035_356_lig_smina_out.mol2", "protac_path": "3145_protac.mol2", "smiles": "C[C@H]1C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]2[C@@H](OC(=O)NCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1", "label": -1}, "5302": {"pro_comp_id": 3146, "tar_path": "HMGCR_P04035.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HMGCR_P04035_356_lig_smina_out.mol2", "protac_path": "3146_protac.mol2", "smiles": "C[C@H]1C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]2[C@@H](OC(=O)NCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1", "label": -1}, "5303": {"pro_comp_id": 3147, "tar_path": "HMGCR_P04035.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HMGCR_P04035_356_lig_smina_out.mol2", "protac_path": "3147_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCNC(=O)O[C@H]3C[C@@H](C)C=C4C=C[C@H](C)[C@H](CC[C@@H]5C[C@@H](O)CC(=O)O5)[C@H]43)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5304": {"pro_comp_id": 3148, "tar_path": "HMGCR_P04035.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HMGCR_P04035_356_lig_smina_out.mol2", "protac_path": "3148_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNC(=O)O[C@H]3C[C@@H](C)C=C4C=C[C@H](C)[C@H](CC[C@@H]5C[C@@H](O)CC(=O)O5)[C@H]43)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5305": {"pro_comp_id": 3149, "tar_path": "HMGCR_P04035.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HMGCR_P04035_356_lig_smina_out.mol2", "protac_path": "3149_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNC(=O)O[C@H]3C[C@@H](C)C=C4C=C[C@H](C)[C@H](CCC(O)C[C@@H](O)CC(=O)O)[C@H]43)C(C)(C)C)C=C2)SC=N1", "label": 0}, "5306": {"pro_comp_id": 3150, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_164_lig_smina_out.mol2", "protac_path": "3150_protac.mol2", "smiles": "CC1=NN=C2N1C1=CC=C(C3=CN(CCCCCCCN4CCC(C5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)C=C1C(C1=CC=C(Cl)C=C1)=NC21CC1", "label": 1}, "5307": {"pro_comp_id": 3151, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "3151_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCOCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "5308": {"pro_comp_id": 3151, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "3151_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCOCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "5309": {"pro_comp_id": 3152, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "3152_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCOCC(=O)NCC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "5310": {"pro_comp_id": 3152, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "3152_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCOCC(=O)NCC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "5311": {"pro_comp_id": 3153, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "3153_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCOCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "5312": {"pro_comp_id": 3153, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "3153_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCOCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "5313": {"pro_comp_id": 3154, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "3154_protac.mol2", "smiles": "CC1(C)C(=O)N(C2=CC=C(C#N)C(C(F)(F)F)=C2)C(=S)N1C1=CC=C(C(=O)NCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C(F)=C1", "label": -1}, "5314": {"pro_comp_id": 3155, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "3155_protac.mol2", "smiles": "CC1(C)C(=O)N(C2=CC=C(C#N)C(C(F)(F)F)=C2)C(=S)N1C1=CC=C(C(=O)NCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C(F)=C1", "label": -1}, "5315": {"pro_comp_id": 3156, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "3156_protac.mol2", "smiles": "CC1(C)C(=O)N(C2=CC=C(C#N)C(C(F)(F)F)=C2)C(=S)N1C1=CC=C(C(=O)NCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C(F)=C1", "label": -1}, "5316": {"pro_comp_id": 3157, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "3157_protac.mol2", "smiles": "CC1(C)C(=O)N(C2=CC=C(C#N)C(C(F)(F)F)=C2)C(=S)N1C1=CC=C(C(=O)NCCCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C(F)=C1", "label": -1}, "5317": {"pro_comp_id": 3158, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "3158_protac.mol2", "smiles": "CC1(C)C(=O)N(C2=CC=C(C#N)C(C(F)(F)F)=C2)C(=S)N1C1=CC=C(C(=O)NCCCCCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C(F)=C1", "label": -1}, "5318": {"pro_comp_id": 3159, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "3159_protac.mol2", "smiles": "CC1(C)C(=O)N(C2=CC=C(C#N)C(C(F)(F)F)=C2)C(=S)N1C1=CC=C(C2=CC=C(OCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)C=C1", "label": -1}, "5319": {"pro_comp_id": 3160, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "3160_protac.mol2", "smiles": "CC1(C)C(=O)N(C2=CC=C(C#N)C(C(F)(F)F)=C2)C(=S)N1C1=CC=C(C2=CC=C(OCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)C=C1", "label": -1}, "5320": {"pro_comp_id": 3161, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "3161_protac.mol2", "smiles": "CC1(C)C(=O)N(C2=CC=C(C#N)C(C(F)(F)F)=C2)C(=S)N1C1=CC=C(C2=CC=C(OCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)C=C1", "label": -1}, "5321": {"pro_comp_id": 3162, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "3162_protac.mol2", "smiles": "CC1(C)C(=O)N(C2=CC=C(C#N)C(C(F)(F)F)=C2)C(=S)N1C1=CC=C(C2=CC=C(OCCCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)C=C1", "label": -1}, "5322": {"pro_comp_id": 3163, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "3163_protac.mol2", "smiles": "CC1(C)C(=O)N(C2=CC=C(C#N)C(C(F)(F)F)=C2)C(=S)N1C1=CC=C(C2=CC=C(OCCCCCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)C=C1", "label": -1}, "5323": {"pro_comp_id": 3164, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "3164_protac.mol2", "smiles": "CC1(C)C(=O)N(C2=CC=C(C#N)C(C(F)(F)F)=C2)C(=S)N1C1=CC=C(C2CCN(C(=O)COCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)C=C1", "label": -1}, "5324": {"pro_comp_id": 3165, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "3165_protac.mol2", "smiles": "CC1(C)C(=O)N(C2=CC=C(C#N)C(C(F)(F)F)=C2)C(=S)N1C1=CC=C(C2CCN(C(=O)COCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)C=C1", "label": -1}, "5325": {"pro_comp_id": 3166, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "3166_protac.mol2", "smiles": "CC1(C)C(=O)N(C2=CC=C(C#N)C(C(F)(F)F)=C2)C(=S)N1C1=CC=C(C2CCN(C(=O)CCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)C=C1", "label": -1}, "5326": {"pro_comp_id": 3167, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "3167_protac.mol2", "smiles": "CC1(C)C(=O)N(C2=CC=C(C#N)C(C(F)(F)F)=C2)C(=S)N1C1=CC=C(C2CCN(C(=O)CCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)C=C1", "label": -1}, "5327": {"pro_comp_id": 3168, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "3168_protac.mol2", "smiles": "CC1(C)C(=O)N(C2=CC=C(C#N)C(C(F)(F)F)=C2)C(=S)N1C1=CC=C(C2CCN(C(=O)CCCCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)C=C1", "label": -1}, "5328": {"pro_comp_id": 3169, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "3169_protac.mol2", "smiles": "CC1(C)C(=O)N(C2=CC=C(C#N)C(C(F)(F)F)=C2)C(=S)N1C1=CC=C(C2=CC=C(OCC#CC3=CC=C(C(=O)N4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)C=C2)C=C1", "label": -1}, "5329": {"pro_comp_id": 3170, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "3170_protac.mol2", "smiles": "CC1(C)C(=O)N(C2=CC=C(C#N)C(C(F)(F)F)=C2)C(=S)N1C1=CC=C(C2=CC=C(OCC#CC3=CC=C(C(=O)N4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)CC6=C5)CC4)C=C3)C=C2)C=C1", "label": -1}, "5330": {"pro_comp_id": 3171, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "3171_protac.mol2", "smiles": "CC1(C)C(=O)N(C2=CC=C(C#N)C(C(F)(F)F)=C2)C(=S)N1C1=CC=C(C2=CC=C(O[C@@H]3CCN(C(=O)C4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C3)C=C2)C=C1", "label": 1}, "5331": {"pro_comp_id": 3172, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_11_lig_smina_out.mol2", "protac_path": "3172_protac.mol2", "smiles": "CC1(C)C(=O)N(C2=CC=C(C#N)C(C(F)(F)F)=C2)C(=S)N1C1=CC=C(C2=CC=C(O[C@H]3CCN(C(=O)C4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C3)C=C2)C=C1", "label": -1}, "5332": {"pro_comp_id": 3173, "tar_path": "SF3B1_O75533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SF3B1_O75533_357_lig_smina_out.mol2", "protac_path": "3173_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCNC(=O)C4=CSC(NC5=CC=C(Cl)C=C5)=N4)=C3C2=O)C(=O)N1", "label": 0}, "5333": {"pro_comp_id": 3173, "tar_path": "SF3B1_O75533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SF3B1_O75533_357_lig_smina_out.mol2", "protac_path": "3173_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCNC(=O)C4=CSC(NC5=CC=C(Cl)C=C5)=N4)=C3C2=O)C(=O)N1", "label": -1}, "5334": {"pro_comp_id": 3174, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "3174_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)C2=CN(CCOCCOCCOCCCC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)N=N2)C1", "label": 1}, "5335": {"pro_comp_id": 3174, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "3174_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)C2=CN(CCOCCOCCOCCCC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)N=N2)C1", "label": 1}, "5336": {"pro_comp_id": 3174, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "3174_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)C2=CN(CCOCCOCCOCCCC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)N=N2)C1", "label": 1}, "5337": {"pro_comp_id": 3174, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "3174_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)C2=CN(CCOCCOCCOCCCC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)N=N2)C1", "label": 1}, "5338": {"pro_comp_id": 3174, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "3174_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)C2=CN(CCOCCOCCOCCCC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)N=N2)C1", "label": 1}, "5339": {"pro_comp_id": 3174, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "3174_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)C2=CN(CCOCCOCCOCCCC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)N=N2)C1", "label": 1}, "5340": {"pro_comp_id": 3174, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "3174_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)C2=CN(CCOCCOCCOCCCC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)N=N2)C1", "label": -1}, "5341": {"pro_comp_id": 3175, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "3175_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)CCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1", "label": -1}, "5342": {"pro_comp_id": 3176, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "3176_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)CCCCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)C1", "label": -1}, "5343": {"pro_comp_id": 3177, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "3177_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)CCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1", "label": -1}, "5344": {"pro_comp_id": 3178, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "3178_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)CCCCCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)C1", "label": -1}, "5345": {"pro_comp_id": 3179, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "3179_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)CCCCCCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)C1", "label": -1}, "5346": {"pro_comp_id": 3180, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "3180_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)CCCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1", "label": -1}, "5347": {"pro_comp_id": 3181, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "3181_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)CCCCCCCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)C1", "label": 1}, "5348": {"pro_comp_id": 3182, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "3182_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)CCCCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1", "label": -1}, "5349": {"pro_comp_id": 3183, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "3183_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)CCCCCCCCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)C1", "label": -1}, "5350": {"pro_comp_id": 3184, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "3184_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)CCCCCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1", "label": -1}, "5351": {"pro_comp_id": 3185, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "3185_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)CCCCCCCCCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)C1", "label": -1}, "5352": {"pro_comp_id": 3186, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "3186_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)CCCCCCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1", "label": -1}, "5353": {"pro_comp_id": 3187, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "3187_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)CCCCCCCCCCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)C1", "label": -1}, "5354": {"pro_comp_id": 3188, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "3188_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)CCOCCOCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)C1", "label": -1}, "5355": {"pro_comp_id": 3189, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "3189_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCOCCOCCOCCC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O", "label": -1}, "5356": {"pro_comp_id": 3190, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_358_lig_smina_out.mol2", "protac_path": "3190_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCNC(=O)C4=CC=CC(SCC5=CN(C6=CC=CC(C(=O)NO)=C6)N=N5)=C4)=C3C2=O)C(=O)N1", "label": -1}, "5357": {"pro_comp_id": 3191, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_358_lig_smina_out.mol2", "protac_path": "3191_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCCNC(=O)C4=CC=CC(SCC5=CN(C6=CC=CC(C(=O)NO)=C6)N=N5)=C4)=C3C2=O)C(=O)N1", "label": -1}, "5358": {"pro_comp_id": 3192, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_358_lig_smina_out.mol2", "protac_path": "3192_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCCCCCNC(=O)C4=CC=CC(SCC5=CN(C6=CC=CC(C(=O)NO)=C6)N=N5)=C4)=C3C2=O)C(=O)N1", "label": 0}, "5359": {"pro_comp_id": 3193, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_358_lig_smina_out.mol2", "protac_path": "3193_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCCCCCNC(=O)C4=CC=C(SCC5=CN(C6=CC=CC(C(=O)NO)=C6)N=N5)C=C4)=C3C2=O)C(=O)N1", "label": -1}, "5360": {"pro_comp_id": 3193, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_358_lig_smina_out.mol2", "protac_path": "3193_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCCCCCNC(=O)C4=CC=C(SCC5=CN(C6=CC=CC(C(=O)NO)=C6)N=N5)C=C4)=C3C2=O)C(=O)N1", "label": -1}, "5361": {"pro_comp_id": 3194, "tar_path": "Tau_P10636.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Tau_P10636_149_lig_smina_out.mol2", "protac_path": "3194_protac.mol2", "smiles": "O=C(CCC1=CC=C2C(=C1)[NH]C1=CC=NC=C12)NCCOCCOCCOCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "5362": {"pro_comp_id": 3195, "tar_path": "Tau_P10636.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Tau_P10636_149_lig_smina_out.mol2", "protac_path": "3195_protac.mol2", "smiles": "O=C(CCC1=CC=C2C(=C1)[NH]C1=CC=NC=C12)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "5363": {"pro_comp_id": 3196, "tar_path": "Tau_P10636.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Tau_P10636_149_lig_smina_out.mol2", "protac_path": "3196_protac.mol2", "smiles": "O=C(CCC1=CC=C2C(=C1)[NH]C1=CC=NC=C12)NCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "5364": {"pro_comp_id": 3197, "tar_path": "Tau_P10636.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "Tau_P10636_149_lig_smina_out.mol2", "protac_path": "3197_protac.mol2", "smiles": "O=C(CCC1=CC=C2C(=C1)[NH]C1=CC=NC=C12)NCCOCCOCCOC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "5365": {"pro_comp_id": 3198, "tar_path": "Tau_P10636.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "Tau_P10636_149_lig_smina_out.mol2", "protac_path": "3198_protac.mol2", "smiles": "O=C(CCC1=CC=C2C(=C1)[NH]C1=CC=NC=C12)NCCOCCOCCOCCOC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "5366": {"pro_comp_id": 3199, "tar_path": "Tau_P10636.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "Tau_P10636_149_lig_smina_out.mol2", "protac_path": "3199_protac.mol2", "smiles": "O=C(CCC1=CC=C2C(=C1)[NH]C1=CC=NC=C12)NCCOCCOCCOCCOCCOC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "5367": {"pro_comp_id": 3200, "tar_path": "Tau_P10636.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "Tau_P10636_149_lig_smina_out.mol2", "protac_path": "3200_protac.mol2", "smiles": "O=C(CCC1=CC=C2C(=C1)[NH]C1=CC=NC=C12)NCCCCCOC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "5368": {"pro_comp_id": 3201, "tar_path": "Tau_P10636.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "Tau_P10636_149_lig_smina_out.mol2", "protac_path": "3201_protac.mol2", "smiles": "O=C(CCC1=CC=C2C(=C1)[NH]C1=CC=NC=C12)NCCCCCCOC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "5369": {"pro_comp_id": 3202, "tar_path": "Tau_P10636.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "Tau_P10636_149_lig_smina_out.mol2", "protac_path": "3202_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCNC(=O)CCC3=CC=C4C(=C3)[NH]C3=CC=NC=C34)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5370": {"pro_comp_id": 3203, "tar_path": "Tau_P10636.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "Tau_P10636_149_lig_smina_out.mol2", "protac_path": "3203_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCNC(=O)CCC3=CC=C4C(=C3)[NH]C3=CC=NC=C34)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5371": {"pro_comp_id": 3204, "tar_path": "Tau_P10636.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "Tau_P10636_149_lig_smina_out.mol2", "protac_path": "3204_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCOCCNC(=O)CCC3=CC=C4C(=C3)[NH]C3=CC=NC=C34)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5372": {"pro_comp_id": 3205, "tar_path": "Tau_P10636.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "Tau_P10636_149_lig_smina_out.mol2", "protac_path": "3205_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)C3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCNC(=O)CCC3=CC=C4C(=C3)[NH]C3=CC=NC=C34)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5373": {"pro_comp_id": 3206, "tar_path": "LXRA_Q13133.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "LXRA_Q13133_359_lig_smina_out.mol2", "protac_path": "3206_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)CC3=CC=CC(OCCCN(CC4=CC=CC(C(F)(F)F)=C4Cl)CC(C4=CC=CC=C4)C4=CC=CC=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5374": {"pro_comp_id": 3206, "tar_path": "LXRB_P55055.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "LXRB_P55055_359_lig_smina_out.mol2", "protac_path": "3206_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)CC3=CC=CC(OCCCN(CC4=CC=CC(C(F)(F)F)=C4Cl)CC(C4=CC=CC=C4)C4=CC=CC=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5375": {"pro_comp_id": 3207, "tar_path": "LXRA_Q13133.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "LXRA_Q13133_359_lig_smina_out.mol2", "protac_path": "3207_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCNC(=O)CC3=CC=CC(OCCCN(CC4=CC=CC(C(F)(F)F)=C4Cl)CC(C4=CC=CC=C4)C4=CC=CC=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5376": {"pro_comp_id": 3207, "tar_path": "LXRB_P55055.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "LXRB_P55055_359_lig_smina_out.mol2", "protac_path": "3207_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCNC(=O)CC3=CC=CC(OCCCN(CC4=CC=CC(C(F)(F)F)=C4Cl)CC(C4=CC=CC=C4)C4=CC=CC=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5377": {"pro_comp_id": 3208, "tar_path": "LXRA_Q13133.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "LXRA_Q13133_359_lig_smina_out.mol2", "protac_path": "3208_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCNC(=O)CC3=CC=CC(OCCCN(CC4=CC=CC(C(F)(F)F)=C4Cl)CC(C4=CC=CC=C4)C4=CC=CC=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5378": {"pro_comp_id": 3208, "tar_path": "LXRB_P55055.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "LXRB_P55055_359_lig_smina_out.mol2", "protac_path": "3208_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCNC(=O)CC3=CC=CC(OCCCN(CC4=CC=CC(C(F)(F)F)=C4Cl)CC(C4=CC=CC=C4)C4=CC=CC=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5379": {"pro_comp_id": 3209, "tar_path": "LXRA_Q13133.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "LXRA_Q13133_359_lig_smina_out.mol2", "protac_path": "3209_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCOCCNC(=O)CC3=CC=CC(OCCCN(CC4=CC=CC(C(F)(F)F)=C4Cl)CC(C4=CC=CC=C4)C4=CC=CC=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5380": {"pro_comp_id": 3209, "tar_path": "LXRB_P55055.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "LXRB_P55055_359_lig_smina_out.mol2", "protac_path": "3209_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCOCCNC(=O)CC3=CC=CC(OCCCN(CC4=CC=CC(C(F)(F)F)=C4Cl)CC(C4=CC=CC=C4)C4=CC=CC=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5381": {"pro_comp_id": 3210, "tar_path": "LXRA_Q13133.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "LXRA_Q13133_359_lig_smina_out.mol2", "protac_path": "3210_protac.mol2", "smiles": "O=C(CC1=CC=CC(OCCCN(CC2=CC=CC(C(F)(F)F)=C2Cl)CC(C2=CC=CC=C2)C2=CC=CC=C2)=C1)NCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "5382": {"pro_comp_id": 3210, "tar_path": "LXRB_P55055.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "LXRB_P55055_359_lig_smina_out.mol2", "protac_path": "3210_protac.mol2", "smiles": "O=C(CC1=CC=CC(OCCCN(CC2=CC=CC(C(F)(F)F)=C2Cl)CC(C2=CC=CC=C2)C2=CC=CC=C2)=C1)NCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "5383": {"pro_comp_id": 3211, "tar_path": "LXRA_Q13133.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "LXRA_Q13133_359_lig_smina_out.mol2", "protac_path": "3211_protac.mol2", "smiles": "O=C(CC1=CC=CC(OCCCN(CC2=CC=CC(C(F)(F)F)=C2Cl)CC(C2=CC=CC=C2)C2=CC=CC=C2)=C1)NCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "5384": {"pro_comp_id": 3211, "tar_path": "LXRB_P55055.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "LXRB_P55055_359_lig_smina_out.mol2", "protac_path": "3211_protac.mol2", "smiles": "O=C(CC1=CC=CC(OCCCN(CC2=CC=CC(C(F)(F)F)=C2Cl)CC(C2=CC=CC=C2)C2=CC=CC=C2)=C1)NCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "5385": {"pro_comp_id": 3212, "tar_path": "LXRA_Q13133.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "LXRA_Q13133_359_lig_smina_out.mol2", "protac_path": "3212_protac.mol2", "smiles": "O=C(CC1=CC=CC(OCCCN(CC2=CC=CC(C(F)(F)F)=C2Cl)CC(C2=CC=CC=C2)C2=CC=CC=C2)=C1)NCCOCCOCCOCCOCCOCC(=O)NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "5386": {"pro_comp_id": 3212, "tar_path": "LXRB_P55055.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "LXRB_P55055_359_lig_smina_out.mol2", "protac_path": "3212_protac.mol2", "smiles": "O=C(CC1=CC=CC(OCCCN(CC2=CC=CC(C(F)(F)F)=C2Cl)CC(C2=CC=CC=C2)C2=CC=CC=C2)=C1)NCCOCCOCCOCCOCCOCC(=O)NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "5387": {"pro_comp_id": 3213, "tar_path": "BCL2_P10415.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL2_P10415_73_lig_smina_out.mol2", "protac_path": "3213_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCC(=O)N3CCN(CC4(C)CCC(C5=CC=C(Cl)C=C5)=C(CN5CCN(C6=CC=C(C(=O)NS(=O)(=O)C7=CC=C(N[C@H](CCN8CCOCC8)CSC8=CC=CC=C8)C(S(=O)(=O)C(F)(F)F)=C7)C=C6)CC5)C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "5388": {"pro_comp_id": 3213, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "3213_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCC(=O)N3CCN(CC4(C)CCC(C5=CC=C(Cl)C=C5)=C(CN5CCN(C6=CC=C(C(=O)NS(=O)(=O)C7=CC=C(N[C@H](CCN8CCOCC8)CSC8=CC=CC=C8)C(S(=O)(=O)C(F)(F)F)=C7)C=C6)CC5)C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "5389": {"pro_comp_id": 3214, "tar_path": "BCL2_P10415.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL2_P10415_73_lig_smina_out.mol2", "protac_path": "3214_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCC(=O)N3CCN(CC4(C)CCC(C5=CC=C(Cl)C=C5)=C(CN5CCN(C6=CC=C(C(=O)NS(=O)(=O)C7=CC=C(N[C@H](CCN8CCOCC8)CSC8=CC=CC=C8)C(S(=O)(=O)C(F)(F)F)=C7)C=C6)CC5)C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "5390": {"pro_comp_id": 3214, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "3214_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCC(=O)N3CCN(CC4(C)CCC(C5=CC=C(Cl)C=C5)=C(CN5CCN(C6=CC=C(C(=O)NS(=O)(=O)C7=CC=C(N[C@H](CCN8CCOCC8)CSC8=CC=CC=C8)C(S(=O)(=O)C(F)(F)F)=C7)C=C6)CC5)C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "5391": {"pro_comp_id": 3215, "tar_path": "BCL2_P10415.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL2_P10415_73_lig_smina_out.mol2", "protac_path": "3215_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCC(=O)N3CCN(CC4(C)CCC(C5=CC=C(Cl)C=C5)=C(CN5CCN(C6=CC=C(C(=O)NS(=O)(=O)C7=CC=C(N[C@H](CCN8CCOCC8)CSC8=CC=CC=C8)C(S(=O)(=O)C(F)(F)F)=C7)C=C6)CC5)C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "5392": {"pro_comp_id": 3215, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "3215_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCC(=O)N3CCN(CC4(C)CCC(C5=CC=C(Cl)C=C5)=C(CN5CCN(C6=CC=C(C(=O)NS(=O)(=O)C7=CC=C(N[C@H](CCN8CCOCC8)CSC8=CC=CC=C8)C(S(=O)(=O)C(F)(F)F)=C7)C=C6)CC5)C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "5393": {"pro_comp_id": 3216, "tar_path": "BCL2_P10415.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL2_P10415_73_lig_smina_out.mol2", "protac_path": "3216_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCC(=O)N3CCN(CC4(C)CCC(C5=CC=C(Cl)C=C5)=C(CN5CCN(C6=CC=C(C(=O)NS(=O)(=O)C7=CC=C(N[C@H](CCN8CCOCC8)CSC8=CC=CC=C8)C(S(=O)(=O)C(F)(F)F)=C7)C=C6)CC5)C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "5394": {"pro_comp_id": 3216, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "3216_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCC(=O)N3CCN(CC4(C)CCC(C5=CC=C(Cl)C=C5)=C(CN5CCN(C6=CC=C(C(=O)NS(=O)(=O)C7=CC=C(N[C@H](CCN8CCOCC8)CSC8=CC=CC=C8)C(S(=O)(=O)C(F)(F)F)=C7)C=C6)CC5)C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "5395": {"pro_comp_id": 3217, "tar_path": "BCL2_P10415.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL2_P10415_73_lig_smina_out.mol2", "protac_path": "3217_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCC(=O)N3CCN(CC4(C)CCC(C5=CC=C(Cl)C=C5)=C(CN5CCN(C6=CC=C(C(=O)NS(=O)(=O)C7=CC=C(N[C@H](CCN8CCOCC8)CSC8=CC=CC=C8)C(S(=O)(=O)C(F)(F)F)=C7)C=C6)CC5)C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "5396": {"pro_comp_id": 3217, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "3217_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCC(=O)N3CCN(CC4(C)CCC(C5=CC=C(Cl)C=C5)=C(CN5CCN(C6=CC=C(C(=O)NS(=O)(=O)C7=CC=C(N[C@H](CCN8CCOCC8)CSC8=CC=CC=C8)C(S(=O)(=O)C(F)(F)F)=C7)C=C6)CC5)C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "5397": {"pro_comp_id": 3218, "tar_path": "BCL2_P10415.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL2_P10415_73_lig_smina_out.mol2", "protac_path": "3218_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCC(=O)N3CCN(CC4(C)CCC(C5=CC=C(Cl)C=C5)=C(CN5CCN(C6=CC=C(C(=O)NS(=O)(=O)C7=CC=C(N[C@H](CCN8CCOCC8)CSC8=CC=CC=C8)C(S(=O)(=O)C(F)(F)F)=C7)C=C6)CC5)C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "5398": {"pro_comp_id": 3218, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "3218_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCC(=O)N3CCN(CC4(C)CCC(C5=CC=C(Cl)C=C5)=C(CN5CCN(C6=CC=C(C(=O)NS(=O)(=O)C7=CC=C(N[C@H](CCN8CCOCC8)CSC8=CC=CC=C8)C(S(=O)(=O)C(F)(F)F)=C7)C=C6)CC5)C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "5399": {"pro_comp_id": 3219, "tar_path": "BCL2_P10415.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL2_P10415_73_lig_smina_out.mol2", "protac_path": "3219_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCC(=O)N3CCN(CC4(C)CCC(C5=CC=C(Cl)C=C5)=C(CN5CCN(C6=CC=C(C(=O)NS(=O)(=O)C7=CC=C(N[C@H](CCN8CCOCC8)CSC8=CC=CC=C8)C(S(=O)(=O)C(F)(F)F)=C7)C=C6)CC5)C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "5400": {"pro_comp_id": 3219, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "3219_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCC(=O)N3CCN(CC4(C)CCC(C5=CC=C(Cl)C=C5)=C(CN5CCN(C6=CC=C(C(=O)NS(=O)(=O)C7=CC=C(N[C@H](CCN8CCOCC8)CSC8=CC=CC=C8)C(S(=O)(=O)C(F)(F)F)=C7)C=C6)CC5)C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "5401": {"pro_comp_id": 3220, "tar_path": "BCL2_P10415.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL2_P10415_73_lig_smina_out.mol2", "protac_path": "3220_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCC(=O)N3CCN(C[C@@]4(C)CCC(C5=CC=C(Cl)C=C5)=C(CN5CCN(C6=CC=C(C(=O)NS(=O)(=O)C7=CC=C(N[C@H](CCN8CCOCC8)CSC8=CC=CC=C8)C(S(=O)(=O)C(F)(F)F)=C7)C=C6)CC5)C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5402": {"pro_comp_id": 3220, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "3220_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCC(=O)N3CCN(C[C@@]4(C)CCC(C5=CC=C(Cl)C=C5)=C(CN5CCN(C6=CC=C(C(=O)NS(=O)(=O)C7=CC=C(N[C@H](CCN8CCOCC8)CSC8=CC=CC=C8)C(S(=O)(=O)C(F)(F)F)=C7)C=C6)CC5)C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5403": {"pro_comp_id": 3221, "tar_path": "BCL2_P10415.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL2_P10415_73_lig_smina_out.mol2", "protac_path": "3221_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCC(=O)N3CCN(C[C@]4(C)CCC(C5=CC=C(Cl)C=C5)=C(CN5CCN(C6=CC=C(C(=O)NS(=O)(=O)C7=CC=C(N[C@H](CCN8CCOCC8)CSC8=CC=CC=C8)C(S(=O)(=O)C(F)(F)F)=C7)C=C6)CC5)C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "5404": {"pro_comp_id": 3221, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "3221_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCC(=O)N3CCN(C[C@]4(C)CCC(C5=CC=C(Cl)C=C5)=C(CN5CCN(C6=CC=C(C(=O)NS(=O)(=O)C7=CC=C(N[C@H](CCN8CCOCC8)CSC8=CC=CC=C8)C(S(=O)(=O)C(F)(F)F)=C7)C=C6)CC5)C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "5405": {"pro_comp_id": 3222, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_360_lig_smina_out.mol2", "protac_path": "3222_protac.mol2", "smiles": "O=C(CCCCCC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)NO", "label": -1}, "5406": {"pro_comp_id": 3222, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "HDAC3_O15379_360_lig_smina_out.mol2", "protac_path": "3222_protac.mol2", "smiles": "O=C(CCCCCC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)NO", "label": -1}, "5407": {"pro_comp_id": 3222, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_360_lig_smina_out.mol2", "protac_path": "3222_protac.mol2", "smiles": "O=C(CCCCCC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)NO", "label": -1}, "5408": {"pro_comp_id": 3223, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_360_lig_smina_out.mol2", "protac_path": "3223_protac.mol2", "smiles": "O=C(CCCCCCC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)NO", "label": -1}, "5409": {"pro_comp_id": 3223, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "HDAC3_O15379_360_lig_smina_out.mol2", "protac_path": "3223_protac.mol2", "smiles": "O=C(CCCCCCC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)NO", "label": -1}, "5410": {"pro_comp_id": 3223, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_360_lig_smina_out.mol2", "protac_path": "3223_protac.mol2", "smiles": "O=C(CCCCCCC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)NO", "label": -1}, "5411": {"pro_comp_id": 3224, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_360_lig_smina_out.mol2", "protac_path": "3224_protac.mol2", "smiles": "O=C(CCCCCCCC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)NO", "label": -1}, "5412": {"pro_comp_id": 3224, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "HDAC3_O15379_360_lig_smina_out.mol2", "protac_path": "3224_protac.mol2", "smiles": "O=C(CCCCCCCC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)NO", "label": -1}, "5413": {"pro_comp_id": 3224, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_360_lig_smina_out.mol2", "protac_path": "3224_protac.mol2", "smiles": "O=C(CCCCCCCC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)NO", "label": -1}, "5414": {"pro_comp_id": 3225, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_360_lig_smina_out.mol2", "protac_path": "3225_protac.mol2", "smiles": "O=C(CCCCCCCCC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)NO", "label": -1}, "5415": {"pro_comp_id": 3225, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "HDAC3_O15379_360_lig_smina_out.mol2", "protac_path": "3225_protac.mol2", "smiles": "O=C(CCCCCCCCC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)NO", "label": -1}, "5416": {"pro_comp_id": 3225, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_360_lig_smina_out.mol2", "protac_path": "3225_protac.mol2", "smiles": "O=C(CCCCCCCCC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)NO", "label": -1}, "5417": {"pro_comp_id": 3226, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_360_lig_smina_out.mol2", "protac_path": "3226_protac.mol2", "smiles": "O=C(CCCCCCC(=O)NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NO", "label": -1}, "5418": {"pro_comp_id": 3226, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC3_O15379_360_lig_smina_out.mol2", "protac_path": "3226_protac.mol2", "smiles": "O=C(CCCCCCC(=O)NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NO", "label": -1}, "5419": {"pro_comp_id": 3226, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_360_lig_smina_out.mol2", "protac_path": "3226_protac.mol2", "smiles": "O=C(CCCCCCC(=O)NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NO", "label": -1}, "5420": {"pro_comp_id": 3227, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_360_lig_smina_out.mol2", "protac_path": "3227_protac.mol2", "smiles": "O=C(CCCCCNC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)NO", "label": -1}, "5421": {"pro_comp_id": 3227, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "HDAC3_O15379_360_lig_smina_out.mol2", "protac_path": "3227_protac.mol2", "smiles": "O=C(CCCCCNC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)NO", "label": -1}, "5422": {"pro_comp_id": 3227, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_360_lig_smina_out.mol2", "protac_path": "3227_protac.mol2", "smiles": "O=C(CCCCCNC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)NO", "label": -1}, "5423": {"pro_comp_id": 3228, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_360_lig_smina_out.mol2", "protac_path": "3228_protac.mol2", "smiles": "O=C(CCCCCCNC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)NO", "label": -1}, "5424": {"pro_comp_id": 3228, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "HDAC3_O15379_360_lig_smina_out.mol2", "protac_path": "3228_protac.mol2", "smiles": "O=C(CCCCCCNC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)NO", "label": -1}, "5425": {"pro_comp_id": 3228, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_360_lig_smina_out.mol2", "protac_path": "3228_protac.mol2", "smiles": "O=C(CCCCCCNC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)NO", "label": -1}, "5426": {"pro_comp_id": 3229, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_360_lig_smina_out.mol2", "protac_path": "3229_protac.mol2", "smiles": "O=C(CCCCCCCCNC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)NO", "label": -1}, "5427": {"pro_comp_id": 3229, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "HDAC3_O15379_360_lig_smina_out.mol2", "protac_path": "3229_protac.mol2", "smiles": "O=C(CCCCCCCCNC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)NO", "label": -1}, "5428": {"pro_comp_id": 3229, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_360_lig_smina_out.mol2", "protac_path": "3229_protac.mol2", "smiles": "O=C(CCCCCCCCNC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)NO", "label": -1}, "5429": {"pro_comp_id": 3230, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_360_lig_smina_out.mol2", "protac_path": "3230_protac.mol2", "smiles": "O=C(CCCCCNC(=O)NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NO", "label": -1}, "5430": {"pro_comp_id": 3230, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC3_O15379_360_lig_smina_out.mol2", "protac_path": "3230_protac.mol2", "smiles": "O=C(CCCCCNC(=O)NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NO", "label": -1}, "5431": {"pro_comp_id": 3230, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_360_lig_smina_out.mol2", "protac_path": "3230_protac.mol2", "smiles": "O=C(CCCCCNC(=O)NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NO", "label": -1}, "5432": {"pro_comp_id": 3231, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_361_lig_smina_out.mol2", "protac_path": "3231_protac.mol2", "smiles": "NC1=CC=CC=C1NC(=O)C1=CC=C(COC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "5433": {"pro_comp_id": 3231, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "HDAC3_O15379_361_lig_smina_out.mol2", "protac_path": "3231_protac.mol2", "smiles": "NC1=CC=CC=C1NC(=O)C1=CC=C(COC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "5434": {"pro_comp_id": 3231, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_361_lig_smina_out.mol2", "protac_path": "3231_protac.mol2", "smiles": "NC1=CC=CC=C1NC(=O)C1=CC=C(COC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "5435": {"pro_comp_id": 3232, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_361_lig_smina_out.mol2", "protac_path": "3232_protac.mol2", "smiles": "NC1=CC=CC=C1NC(=O)C1=CC=C(COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "5436": {"pro_comp_id": 3232, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HDAC3_O15379_361_lig_smina_out.mol2", "protac_path": "3232_protac.mol2", "smiles": "NC1=CC=CC=C1NC(=O)C1=CC=C(COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "5437": {"pro_comp_id": 3232, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_361_lig_smina_out.mol2", "protac_path": "3232_protac.mol2", "smiles": "NC1=CC=CC=C1NC(=O)C1=CC=C(COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "5438": {"pro_comp_id": 3233, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_360_lig_smina_out.mol2", "protac_path": "3233_protac.mol2", "smiles": "O=C1CCC(N2CC3=C(OCC4=CC=C(C(=O)NO)C=C4)C=CC=C3C2=O)C(=O)N1", "label": -1}, "5439": {"pro_comp_id": 3233, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "HDAC3_O15379_360_lig_smina_out.mol2", "protac_path": "3233_protac.mol2", "smiles": "O=C1CCC(N2CC3=C(OCC4=CC=C(C(=O)NO)C=C4)C=CC=C3C2=O)C(=O)N1", "label": -1}, "5440": {"pro_comp_id": 3233, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_360_lig_smina_out.mol2", "protac_path": "3233_protac.mol2", "smiles": "O=C1CCC(N2CC3=C(OCC4=CC=C(C(=O)NO)C=C4)C=CC=C3C2=O)C(=O)N1", "label": -1}, "5441": {"pro_comp_id": 3234, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_360_lig_smina_out.mol2", "protac_path": "3234_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(OCC4=CC=C(C(=O)NO)C=C4)=C3C2=O)C(=O)N1", "label": -1}, "5442": {"pro_comp_id": 3234, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HDAC3_O15379_360_lig_smina_out.mol2", "protac_path": "3234_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(OCC4=CC=C(C(=O)NO)C=C4)=C3C2=O)C(=O)N1", "label": -1}, "5443": {"pro_comp_id": 3234, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_360_lig_smina_out.mol2", "protac_path": "3234_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(OCC4=CC=C(C(=O)NO)C=C4)=C3C2=O)C(=O)N1", "label": -1}, "5444": {"pro_comp_id": 3235, "tar_path": "HSF1_Q00613.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HSF1_Q00613_362_lig_smina_out.mol2", "protac_path": "3235_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCNC4=CC=C([N+](=O)[O-])C(NC5=CC=C6[NH]N=CC6=C5)=N4)=C3C2=O)C(=O)N1", "label": -1}, "5445": {"pro_comp_id": 3236, "tar_path": "HSF1_Q00613.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HSF1_Q00613_362_lig_smina_out.mol2", "protac_path": "3236_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCOCCOCCOCCCNC4=CC=C([N+](=O)[O-])C(NC5=CC=C6[NH]N=CC6=C5)=N4)=C3C2=O)C(=O)N1", "label": -1}, "5446": {"pro_comp_id": 3237, "tar_path": "HSF1_Q00613.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HSF1_Q00613_362_lig_smina_out.mol2", "protac_path": "3237_protac.mol2", "smiles": "O=C(CNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCOCCOCCOCCCNC1=CC=C([N+](=O)[O-])C(NC2=CC=C3[NH]N=CC3=C2)=N1", "label": 0}, "5447": {"pro_comp_id": 3238, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "3238_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCC(=O)NCCN3CCN(CC4=CC=CC(C5=CC=C(N6CCN(C)CC6)C(NC(=O)C6=C[NH]C(=O)C=C6C(F)(F)F)=C5)=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5448": {"pro_comp_id": 3239, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "3239_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCC(=O)NCCN3CCN(CC4=CC=CC(C5=CC=C(N6CCN(C)CC6)C(NC(=O)C6=C[NH]C(=O)C=C6C(F)(F)F)=C5)=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5449": {"pro_comp_id": 3240, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "3240_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCC(=O)NCCN3CCN(CC4=CC=CC(C5=CC=C(N6CCN(C)CC6)C(NC(=O)C6=C[NH]C(=O)C=C6C(F)(F)F)=C5)=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5450": {"pro_comp_id": 3241, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "3241_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCC(=O)NCCN3CCN(CC4=CC=CC(C5=CC=C(N6CCN(C)CC6)C(NC(=O)C6=C[NH]C(=O)C=C6C(F)(F)F)=C5)=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5451": {"pro_comp_id": 3242, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "3242_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCC(=O)NCCN3CCN(CC4=CC=CC(C5=CC=C(N6CCN(C)CC6)C(NC(=O)C6=C[NH]C(=O)C=C6C(F)(F)F)=C5)=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5452": {"pro_comp_id": 3243, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "3243_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCC(=O)NCCN3CCN(CC4=CC=CC(C5=CC=C(N6CCN(C)CC6)C(NC(=O)C6=C[NH]C(=O)C=C6C(F)(F)F)=C5)=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5453": {"pro_comp_id": 3244, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "3244_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCC(=O)NCCN3CCN(CC4=CC=CC(C5=CC=C(N6CCN(C)CC6)C(NC(=O)C6=C[NH]C(=O)C=C6C(F)(F)F)=C5)=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5454": {"pro_comp_id": 3245, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "3245_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCC(=O)NCCN3CCN(CC4=CC=CC(C5=CC=C(N6CCN(C)CC6)C(NC(=O)C6=C[NH]C(=O)C=C6C(F)(F)F)=C5)=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": 0}, "5455": {"pro_comp_id": 3246, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "3246_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCC(=O)NCCN3CCN(CC4=CC=CC(C5=CC=C(N6CCN(C)CC6)C(NC(=O)C6=C[NH]C(=O)C=C6C(F)(F)F)=C5)=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5456": {"pro_comp_id": 3247, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "3247_protac.mol2", "smiles": "CN1CCN(C2=CC=C(C3=CC=CC(CN4CCN(CCNC(=O)CCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=C3)C=C2NC(=O)C2=C[NH]C(=O)C=C2C(F)(F)F)CC1", "label": -1}, "5457": {"pro_comp_id": 3248, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "3248_protac.mol2", "smiles": "CN1CCN(C2=CC=C(C3=CC=CC(CN4CCN(CCNC(=O)CCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=C3)C=C2NC(=O)C2=C[NH]C(=O)C=C2C(F)(F)F)CC1", "label": -1}, "5458": {"pro_comp_id": 3249, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "3249_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCC(=O)N3CCN(CC4=CC=CC(C5=CC=C(N6CCN(C)CC6)C(NC(=O)C6=C[NH]C(=O)C=C6C(F)(F)F)=C5)=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5459": {"pro_comp_id": 3250, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "3250_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CNC(=O)C3=CC=CC(C4=CC=C(N5CCN(C)CC5)C(NC(=O)C5=C[NH]C(=O)C=C5C(F)(F)F)=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5460": {"pro_comp_id": 3251, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "3251_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CNC(=O)C3=CC=CC(C4=CC=C(N5CCN(C)CC5)C(NC(=O)C5=C[NH]C(=O)C=C5C(F)(F)F)=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5461": {"pro_comp_id": 3252, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "3252_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CNC(=O)C3=CC=C(F)C(C4=CC=C(N5CCN(C)CC5)C(NC(=O)C5=C[NH]C(=O)C=C5C(F)(F)F)=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5462": {"pro_comp_id": 3253, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "3253_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CNC(=O)C3=CC=CC(C4=CC=C(N5C[C@H](C)N(C)[C@H](C)C5)C(NC(=O)C5=C[NH]C(=O)C=C5C(F)(F)F)=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5463": {"pro_comp_id": 3254, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "3254_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CNC(=O)C3=CC=C(F)C(C4=CC=C(N5C[C@H](C)N(C)[C@H](C)C5)C(NC(=O)C5=C[NH]C(=O)C=C5C(F)(F)F)=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5464": {"pro_comp_id": 3254, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "3254_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CNC(=O)C3=CC=C(F)C(C4=CC=C(N5C[C@H](C)N(C)[C@H](C)C5)C(NC(=O)C5=C[NH]C(=O)C=C5C(F)(F)F)=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5465": {"pro_comp_id": 3255, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "3255_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CNC(=O)C3=CC=C(F)C(C4=CC=C(N5C[C@H](C)N(C)[C@H](C)C5)C(NC(=O)C5=C[NH]C(=O)C=C5C(F)(F)F)=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": 1}, "5466": {"pro_comp_id": 3256, "tar_path": "Tau_P10636.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "Tau_P10636_363_lig_smina_out.mol2", "protac_path": "3256_protac.mol2", "smiles": "CC(=O)N1CCCN(C2=NC(NCCC3=CC=CS3)=NC(N(C)CC(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N3C[C@@H](O)C[C@@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=N2)CC1", "label": 1}, "5467": {"pro_comp_id": 3257, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "3257_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "5468": {"pro_comp_id": 3257, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "3257_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "5469": {"pro_comp_id": 3258, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_94_lig_smina_out.mol2", "protac_path": "3258_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CN3CCN(C4=CC(C5=CC=CC=C5O)=NN=C4N)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5470": {"pro_comp_id": 3258, "tar_path": "SMARCA4_P51532.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA4_P51532_94_lig_smina_out.mol2", "protac_path": "3258_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CN3CCN(C4=CC(C5=CC=CC=C5O)=NN=C4N)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5471": {"pro_comp_id": 3258, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_94_lig_smina_out.mol2", "protac_path": "3258_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CN3CCN(C4=CC(C5=CC=CC=C5O)=NN=C4N)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5472": {"pro_comp_id": 3259, "tar_path": "MLLT1_Q03111.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MLLT1_Q03111_364_lig_smina_out.mol2", "protac_path": "3259_protac.mol2", "smiles": "C[C@H]1CCCN1CC1=NC2=CC=C(NC(=O)C3=CC=C4C(=C3)C=NN4CCCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2[NH]1", "label": 1}, "5473": {"pro_comp_id": 3260, "tar_path": "MLLT1_Q03111.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MLLT1_Q03111_364_lig_smina_out.mol2", "protac_path": "3260_protac.mol2", "smiles": "C[C@H]1CCCN1CC1=NC2=CC=C(NC(=O)C3=CC=C4C(=C3)C=NN4CCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2[NH]1", "label": 0}, "5474": {"pro_comp_id": 3261, "tar_path": "MLLT1_Q03111.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MLLT1_Q03111_364_lig_smina_out.mol2", "protac_path": "3261_protac.mol2", "smiles": "C[C@H]1CCCN1CC1=NC2=CC=C(NC(=O)C3=CC=C4C(=C3)C=NN4CCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2[NH]1", "label": 1}, "5475": {"pro_comp_id": 3262, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "FEM1B_Q9UK73.pdb", "e3_lig_path": "FEM1B_Q9UK73_81_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "3262_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCOCCNC(=O)CN1CCOC3=CC(N(CCC#N)C(=O)CCl)=CC=C31)N=C2C1=CC=C(Cl)C=C1", "label": 0}, "5476": {"pro_comp_id": 3262, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "FEM1B_Q9UK73.pdb", "e3_lig_path": "FEM1B_Q9UK73_81_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "3262_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCOCCNC(=O)CN1CCOC3=CC(N(CCC#N)C(=O)CCl)=CC=C31)N=C2C1=CC=C(Cl)C=C1", "label": 0}, "5477": {"pro_comp_id": 3263, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "FEM1B_Q9UK73.pdb", "e3_lig_path": "FEM1B_Q9UK73_81_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "3263_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCNC(=O)CN1CCOC3=CC(N(CCC#N)C(=O)CCl)=CC=C31)N=C2C1=CC=C(Cl)C=C1", "label": 0}, "5478": {"pro_comp_id": 3263, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "FEM1B_Q9UK73.pdb", "e3_lig_path": "FEM1B_Q9UK73_81_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "3263_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCNC(=O)CN1CCOC3=CC(N(CCC#N)C(=O)CCl)=CC=C31)N=C2C1=CC=C(Cl)C=C1", "label": 0}, "5479": {"pro_comp_id": 3264, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "FEM1B_Q9UK73.pdb", "e3_lig_path": "FEM1B_Q9UK73_81_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "3264_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCOCCOCCNC(=O)CN1CCOC3=CC(N(CCC#N)C(=O)CCl)=CC=C31)N=C2C1=CC=C(Cl)C=C1", "label": 0}, "5480": {"pro_comp_id": 3265, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "FEM1B_Q9UK73.pdb", "e3_lig_path": "FEM1B_Q9UK73_81_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "3265_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCOCCOCCOCCNC(=O)CN1CCOC3=CC(N(CCC#N)C(=O)CCl)=CC=C31)N=C2C1=CC=C(Cl)C=C1", "label": 0}, "5481": {"pro_comp_id": 3266, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "FEM1B_Q9UK73.pdb", "e3_lig_path": "FEM1B_Q9UK73_81_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "3266_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCOCCOCCOCCOCCNC(=O)CN1CCOC3=CC(N(CCC#N)C(=O)CCl)=CC=C31)N=C2C1=CC=C(Cl)C=C1", "label": 0}, "5484": {"pro_comp_id": 3269, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "ER_P03372_10_lig_smina_out.mol2", "protac_path": "3269_protac.mol2", "smiles": "O=C1CC[C@H](N2CC3=CC(N4CCN(CC5CCN(C6=CC=C([C@@H]7C8=CC=C(O)C=C8CC[C@@H]7C7=CC=CC=C7)C=C6)CC5)CC4)=CC=C3C2=O)C(=O)N1", "label": 1}, "5485": {"pro_comp_id": 3270, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_365_lig_smina_out.mol2", "protac_path": "3270_protac.mol2", "smiles": "N#CC1=CC=C(O[C@H]2CC[C@H](NC(=O)C3=CC=C(N4CCC(CN5CCN(C6=CC7=C(C=C6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)N=N3)CC2)C=C1Cl", "label": 1}, "5486": {"pro_comp_id": 3270, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_365_lig_smina_out.mol2", "protac_path": "3270_protac.mol2", "smiles": "N#CC1=CC=C(O[C@H]2CC[C@H](NC(=O)C3=CC=C(N4CCC(CN5CCN(C6=CC7=C(C=C6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)N=N3)CC2)C=C1Cl", "label": -1}, "5487": {"pro_comp_id": 3271, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SHP2_Q06124_366_lig_smina_out.mol2", "protac_path": "3271_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCNC(=O)CCCCCC3(CN)CCN(C4=CN=C(SC5=CC=CC(Cl)=C5Cl)C(N)=N4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5488": {"pro_comp_id": 3272, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SHP2_Q06124_366_lig_smina_out.mol2", "protac_path": "3272_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCNC(=O)CCCCCC3(CN)CCN(C4=CN=C(SC5=CC=CC(Cl)=C5Cl)C(N)=N4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5489": {"pro_comp_id": 3273, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SHP2_Q06124_366_lig_smina_out.mol2", "protac_path": "3273_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCNC(=O)CCCCCC3(CN)CCN(C4=CN=C(SC5=CC=CC(Cl)=C5Cl)C(N)=N4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5490": {"pro_comp_id": 3274, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SHP2_Q06124_366_lig_smina_out.mol2", "protac_path": "3274_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCNC(=O)CCCCCC3(CN)CCN(C4=CN=C(SC5=CC=CC(Cl)=C5Cl)C(N)=N4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5491": {"pro_comp_id": 3275, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SHP2_Q06124_366_lig_smina_out.mol2", "protac_path": "3275_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCNC(=O)CCCCCC3(CN)CCN(C4=CN=C(SC5=CC=CC(Cl)=C5Cl)C(N)=N4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5492": {"pro_comp_id": 3276, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SHP2_Q06124_366_lig_smina_out.mol2", "protac_path": "3276_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCNC(=O)CCCCCC3(CN)CCN(C4=CN=C(SC5=CC=CC(Cl)=C5Cl)C(N)=N4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5493": {"pro_comp_id": 3277, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SHP2_Q06124_366_lig_smina_out.mol2", "protac_path": "3277_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCNC(=O)CCCCCC3(CN)CCN(C4=CN=C(SC5=CC=CC(Cl)=C5Cl)C(N)=N4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5494": {"pro_comp_id": 3278, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SHP2_Q06124_366_lig_smina_out.mol2", "protac_path": "3278_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNC(=O)CCCCCC3(CN)CCN(C4=CN=C(SC5=CC=CC(Cl)=C5Cl)C(N)=N4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5495": {"pro_comp_id": 3279, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SHP2_Q06124_366_lig_smina_out.mol2", "protac_path": "3279_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCN3CCN(C(=O)CCCCCC4(CN)CCN(C5=CN=C(SC6=CC=CC(Cl)=C6Cl)C(N)=N5)CC4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5496": {"pro_comp_id": 3280, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SHP2_Q06124_366_lig_smina_out.mol2", "protac_path": "3280_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCN3CCN(C(=O)CCCCCC4(CN)CCN(C5=CN=C(SC6=CC=CC(Cl)=C6Cl)C(N)=N5)CC4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5497": {"pro_comp_id": 3281, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SHP2_Q06124_366_lig_smina_out.mol2", "protac_path": "3281_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCN3CCN(C(=O)CCCCCC4(CN)CCN(C5=CN=C(SC6=CC=CC(Cl)=C6Cl)C(N)=N5)CC4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5498": {"pro_comp_id": 3282, "tar_path": "SHP2_Q06124.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SHP2_Q06124_366_lig_smina_out.mol2", "protac_path": "3282_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCN3CCN(C(=O)CCCCCC4(CN)CCN(C5=CN=C(SC6=CC=CC(Cl)=C6Cl)C(N)=N5)CC4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5499": {"pro_comp_id": 3283, "tar_path": "sEH_G0R7E2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "sEH_G0R7E2_367_lig_smina_out.mol2", "protac_path": "3283_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOCCOCCOCCNC(=O)C1=CC=C(O[C@H]2CC[C@H](NC(=O)NC3=CC=C(OC(F)(F)F)C=C3)CC2)C=C1", "label": -1}, "5500": {"pro_comp_id": 3284, "tar_path": "sEH_G0R7E2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "sEH_G0R7E2_367_lig_smina_out.mol2", "protac_path": "3284_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOCCOCCOCCOCCNC(=O)C1=CC=C(O[C@H]2CC[C@H](NC(=O)NC3=CC=C(OC(F)(F)F)C=C3)CC2)C=C1", "label": -1}, "5501": {"pro_comp_id": 3284, "tar_path": "sEH_G0R7E2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "sEH_G0R7E2_367_lig_smina_out.mol2", "protac_path": "3284_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOCCOCCOCCOCCNC(=O)C1=CC=C(O[C@H]2CC[C@H](NC(=O)NC3=CC=C(OC(F)(F)F)C=C3)CC2)C=C1", "label": -1}, "5512": {"pro_comp_id": 3295, "tar_path": "NSD2_O96028.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "NSD2_O96028_371_lig_smina_out.mol2", "protac_path": "3295_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCCN3C=C(CNC(=O)[C@@H]4CC5CCCCC5N4C(=O)C4=CC=CC([C@@H]5CCCN5C(=O)C5=CC=C6[NH]N=CC6=C5F)=C4Cl)N=N3)=C2)SC=N1", "label": -1}, "5513": {"pro_comp_id": 3296, "tar_path": "NSD2_O96028.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "NSD2_O96028_371_lig_smina_out.mol2", "protac_path": "3296_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCN3C=C(CNC(=O)[C@@H]4CC5CCCCC5N4C(=O)C4=CC=CC([C@@H]5CCCN5C(=O)C5=CC=C6[NH]N=CC6=C5F)=C4Cl)N=N3)=C2)SC=N1", "label": -1}, "5514": {"pro_comp_id": 3297, "tar_path": "NSD2_O96028.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "NSD2_O96028_371_lig_smina_out.mol2", "protac_path": "3297_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCCN3C=C(CCNC(=O)[C@@H]4CC5CCCCC5N4C(=O)C4=CC=CC([C@@H]5CCCN5C(=O)C5=CC=C6[NH]N=CC6=C5F)=C4Cl)N=N3)=C2)SC=N1", "label": -1}, "5515": {"pro_comp_id": 3298, "tar_path": "ERK5_Q13164.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ERK5_Q13164_372_lig_smina_out.mol2", "protac_path": "3298_protac.mol2", "smiles": "COC1=CC(N2CCN(CCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C2C(=N1)N(C)C1=CC=CC=C1C(=O)N2C", "label": -1}, "5516": {"pro_comp_id": 3299, "tar_path": "ERK5_Q13164.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ERK5_Q13164_372_lig_smina_out.mol2", "protac_path": "3299_protac.mol2", "smiles": "COC1=CC(N2CCN(CCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C2C(=N1)N(C)C1=CC=CC=C1C(=O)N2C", "label": -1}, "5517": {"pro_comp_id": 3300, "tar_path": "ERK5_Q13164.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ERK5_Q13164_372_lig_smina_out.mol2", "protac_path": "3300_protac.mol2", "smiles": "COC1=CC(N2CCN(CCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C2C(=N1)N(C)C1=CC=CC=C1C(=O)N2C", "label": -1}, "5518": {"pro_comp_id": 3300, "tar_path": "ERK5_Q13164.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ERK5_Q13164_372_lig_smina_out.mol2", "protac_path": "3300_protac.mol2", "smiles": "COC1=CC(N2CCN(CCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C2C(=N1)N(C)C1=CC=CC=C1C(=O)N2C", "label": -1}, "5519": {"pro_comp_id": 3301, "tar_path": "ERK5_Q13164.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ERK5_Q13164_372_lig_smina_out.mol2", "protac_path": "3301_protac.mol2", "smiles": "COC1=CC(N2CCN(CCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C2C(=N1)N(C)C1=CC=CC=C1C(=O)N2C", "label": -1}, "5520": {"pro_comp_id": 3302, "tar_path": "ERK5_Q13164.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ERK5_Q13164_372_lig_smina_out.mol2", "protac_path": "3302_protac.mol2", "smiles": "COC1=CC(N2CCN(CCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C2C(=N1)N(C)C1=CC=CC=C1C(=O)N2C", "label": -1}, "5521": {"pro_comp_id": 3303, "tar_path": "ERK5_Q13164.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ERK5_Q13164_372_lig_smina_out.mol2", "protac_path": "3303_protac.mol2", "smiles": "COC1=CC(N2CCN(CCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C2C(=N1)N(C)C1=CC=CC=C1C(=O)N2C", "label": -1}, "5522": {"pro_comp_id": 3304, "tar_path": "ERK5_Q13164.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ERK5_Q13164_372_lig_smina_out.mol2", "protac_path": "3304_protac.mol2", "smiles": "COC1=CC(N2CCN(CCCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C2C(=N1)N(C)C1=CC=CC=C1C(=O)N2C", "label": -1}, "5523": {"pro_comp_id": 3305, "tar_path": "ERK5_Q13164.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ERK5_Q13164_372_lig_smina_out.mol2", "protac_path": "3305_protac.mol2", "smiles": "COC1=CC(N2CCN(CCOCCOCCN[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C2C(=N1)N(C)C1=CC=CC=C1C(=O)N2C", "label": -1}, "5524": {"pro_comp_id": 3306, "tar_path": "ERK5_Q13164.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ERK5_Q13164_372_lig_smina_out.mol2", "protac_path": "3306_protac.mol2", "smiles": "COC1=CC(N2CCN(CCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=CC=C1NC1=NC=C2C(=N1)N(C)C1=CC=CC=C1C(=O)N2C", "label": -1}, "5525": {"pro_comp_id": 3307, "tar_path": "ERK5_Q13164.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "ERK5_Q13164_372_lig_smina_out.mol2", "protac_path": "3307_protac.mol2", "smiles": "COC1=CC(N2CCN(CCOCC#CC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)CC2)=CC=C1NC1=NC=C2C(=N1)N(C)C1=CC=CC=C1C(=O)N2C", "label": -1}, "5526": {"pro_comp_id": 3308, "tar_path": "ERK5_Q13164.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ERK5_Q13164_373_lig_smina_out.mol2", "protac_path": "3308_protac.mol2", "smiles": "COC1=CC(N2CCC(OCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C2C(=N1)N(C)C1=CC=CC=C1C(=O)N2C", "label": -1}, "5527": {"pro_comp_id": 3309, "tar_path": "ERK5_Q13164.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ERK5_Q13164_374_lig_smina_out.mol2", "protac_path": "3309_protac.mol2", "smiles": "COC1=CC(C(=O)N2CCN(CCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C2C(=N1)N(C)C1=CC=CC=C1C(=O)N2C", "label": -1}, "5530": {"pro_comp_id": 3312, "tar_path": "CaMKIIalpha_Q9UQM7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "CaMKIIalpha_Q9UQM7_47_lig_smina_out.mol2", "protac_path": "3312_protac.mol2", "smiles": "COC1=CC(NC2=C(C#N)C=NC3=CC(OCCCN4CCN(C(=O)CCCCCNC(=O)COC5=C(OC)C=C(/N=N\\C6=CC=CC7=C6CN(C6CCC(=O)NC6=O)C7=O)C=C5OC)CC4)=C(OC)C=C23)=C(Cl)C=C1Cl", "label": -1}, "5531": {"pro_comp_id": 3313, "tar_path": "CARM1_Q86X55.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "CARM1_Q86X55_376_lig_smina_out.mol2", "protac_path": "3313_protac.mol2", "smiles": "CNCCN1CCC(C2=CC(CN(C)C(=O)C3=CC=CC(OC4=CC=C(OCC(=O)NCC5=CC=C(OCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)C=C5)C=C4)=C3)=CC=N2)CC1", "label": -1}, "5532": {"pro_comp_id": 3314, "tar_path": "CARM1_Q86X55.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "CARM1_Q86X55_376_lig_smina_out.mol2", "protac_path": "3314_protac.mol2", "smiles": "CNCCN1CCC(C2=CC(CN(C)C(=O)C3=CC=CC(OC4=CC=C(OCC(=O)NCCC5=CC=C(OCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)C=C5)C=C4)=C3)=CC=N2)CC1", "label": -1}, "5533": {"pro_comp_id": 3315, "tar_path": "CARM1_Q86X55.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "CARM1_Q86X55_376_lig_smina_out.mol2", "protac_path": "3315_protac.mol2", "smiles": "CNCCN1CCC(C2=CC(CN(C)C(=O)C3=CC=CC(OC4=CC=C(OCC(=O)NCCC5=CC=C(OCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)C=C5)C=C4)=C3)=CC=N2)CC1", "label": -1}, "5534": {"pro_comp_id": 3316, "tar_path": "CARM1_Q86X55.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "CARM1_Q86X55_376_lig_smina_out.mol2", "protac_path": "3316_protac.mol2", "smiles": "CNCCN1CCC(C2=CC(CN(C)C(=O)C3=CC=CC(OC4=CC=C(OCC(=O)NCCC5=CC=C(OCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)C=C5)C=C4)=C3)=CC=N2)CC1", "label": -1}, "5535": {"pro_comp_id": 3317, "tar_path": "CARM1_Q86X55.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "CARM1_Q86X55_376_lig_smina_out.mol2", "protac_path": "3317_protac.mol2", "smiles": "CNCCN1CCC(C2=CC(CN(C)C(=O)C3=CC=CC(OC4=CC=C(OCC(=O)NCCC5=CC=C(OCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)C=C5)C=C4)=C3)=CC=N2)CC1", "label": -1}, "5536": {"pro_comp_id": 3318, "tar_path": "CARM1_Q86X55.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "CARM1_Q86X55_376_lig_smina_out.mol2", "protac_path": "3318_protac.mol2", "smiles": "CNCCN1CCC(C2=CC(CN(C)C(=O)C3=CC=CC(OC4=CC=C(OCC(=O)N5CCC(CN6CCN(CC(=O)N[C@H](C(=O)N7C[C@H](O)C[C@H]7C(=O)N[C@@H](C)C7=CC=C(C8=C(C)N=CS8)C=C7)C(C)(C)C)CC6)CC5)C=C4)=C3)=CC=N2)CC1", "label": -1}, "5537": {"pro_comp_id": 3319, "tar_path": "CARM1_Q86X55.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "CARM1_Q86X55_376_lig_smina_out.mol2", "protac_path": "3319_protac.mol2", "smiles": "CNCCN1CCC(C2=CC(CN(C)C(=O)C3=CC=CC(OC4=CC=C(OCC(=O)N5CCC(CN6CCC(CN7CCN(CC(=O)N[C@H](C(=O)N8C[C@H](O)C[C@H]8C(=O)N[C@@H](C)C8=CC=C(C9=C(C)N=CS9)C=C8)C(C)(C)C)CC7)CC6)CC5)C=C4)=C3)=CC=N2)CC1", "label": -1}, "5538": {"pro_comp_id": 3320, "tar_path": "CARM1_Q86X55.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "CARM1_Q86X55_376_lig_smina_out.mol2", "protac_path": "3320_protac.mol2", "smiles": "CNCCN1CCC(C2=CC(CN(C)C(=O)C3=CC=CC(OC4=CC=C(C(=O)N5CCC(CN6CCC(CN7CCN(CC(=O)N[C@H](C(=O)N8C[C@H](O)C[C@H]8C(=O)N[C@@H](C)C8=CC=C(C9=C(C)N=CS9)C=C8)C(C)(C)C)CC7)CC6)CC5)C=C4)=C3)=CC=N2)CC1", "label": -1}, "5539": {"pro_comp_id": 3321, "tar_path": "CARM1_Q86X55.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "CARM1_Q86X55_376_lig_smina_out.mol2", "protac_path": "3321_protac.mol2", "smiles": "CNCCN1CCC(C2=CC(CN(C)C(=O)C3=CC=CC(OC4=CC=C(CC(=O)N5CCC(CN6CCC(CN7CCN(CC(=O)N[C@H](C(=O)N8C[C@H](O)C[C@H]8C(=O)N[C@@H](C)C8=CC=C(C9=C(C)N=CS9)C=C8)C(C)(C)C)CC7)CC6)CC5)C=C4)=C3)=CC=N2)CC1", "label": -1}, "5540": {"pro_comp_id": 3322, "tar_path": "CARM1_Q86X55.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "CARM1_Q86X55_376_lig_smina_out.mol2", "protac_path": "3322_protac.mol2", "smiles": "CNCCN1CCC(C2=CC(CN(C)C(=O)C3=CC=CC(OC4=CC=C(CCC(=O)N5CCC(CN6CCC(CN7CCN(CC(=O)N[C@H](C(=O)N8C[C@H](O)C[C@H]8C(=O)N[C@@H](C)C8=CC=C(C9=C(C)N=CS9)C=C8)C(C)(C)C)CC7)CC6)CC5)C=C4)=C3)=CC=N2)CC1", "label": -1}, "5541": {"pro_comp_id": 3323, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_85_lig_smina_out.mol2", "war_path": "AR_P10275_204_lig_smina_out.mol2", "protac_path": "3323_protac.mol2", "smiles": "CC1=C(C2=CC=C(C3=C[NH]C([C@@H]4C[C@@H](O)CN4C(=O)[C@@H](NC(=O)CCCCNC(=O)COC4=C(F)C(F)=CC=C4C4=CSC(N5CCOCC5)=N4)C(C)(C)C)=N3)C=C2)SC=N1", "label": -1}, "5542": {"pro_comp_id": 3324, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_84_lig_smina_out.mol2", "war_path": "AR_P10275_204_lig_smina_out.mol2", "protac_path": "3324_protac.mol2", "smiles": "CC1=NC(C)=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCNC(=O)COC3=C(F)C(F)=CC=C3C3=CSC(N4CCOCC4)=N3)C(C)(C)C)C=C2)S1", "label": -1}, "5543": {"pro_comp_id": 3325, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_86_lig_smina_out.mol2", "war_path": "AR_P10275_204_lig_smina_out.mol2", "protac_path": "3325_protac.mol2", "smiles": "CC1=NC(C)=C(C2=CC=C(C3=C[NH]C([C@@H]4C[C@@H](O)CN4C(=O)[C@@H](NC(=O)CCCCNC(=O)COC4=C(F)C(F)=CC=C4C4=CSC(N5CCOCC5)=N4)C(C)(C)C)=N3)C=C2)S1", "label": -1}, "5544": {"pro_comp_id": 3326, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "3326_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCNC(=O)C[C@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5545": {"pro_comp_id": 3327, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "AR_P10275_377_lig_smina_out.mol2", "protac_path": "3327_protac.mol2", "smiles": "N#CC1=CC=C(N2CCC3(CCN(C4=CC=C(C(=O)N5CCC(N6CC7=CC8=C(C=C7C6)C(=O)N(C6CCC(=O)NC6=O)C8=O)CC5)C=C4)CC3)C2)C=C1Cl", "label": -1}, "5546": {"pro_comp_id": 3328, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "AR_P10275_377_lig_smina_out.mol2", "protac_path": "3328_protac.mol2", "smiles": "N#CC1=CC=C(N2CCC3(CCN(C4=CC=C(C(=O)N5CCC(CN6CC7=CC8=C(C=C7C6)C(=O)N(C6CCC(=O)NC6=O)C8=O)CC5)C=C4)CC3)C2)C=C1Cl", "label": -1}, "5547": {"pro_comp_id": 3329, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "AR_P10275_377_lig_smina_out.mol2", "protac_path": "3329_protac.mol2", "smiles": "N#CC1=CC=C(N2CCC3(CCN(C4=CC=C(C(=O)N5CCC(CCN6CC7=CC8=C(C=C7C6)C(=O)N(C6CCC(=O)NC6=O)C8=O)CC5)C=C4)CC3)C2)C=C1Cl", "label": -1}, "5548": {"pro_comp_id": 3330, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_87_lig_smina_out.mol2", "war_path": "AR_P10275_377_lig_smina_out.mol2", "protac_path": "3330_protac.mol2", "smiles": "N#CC1=CC=C(N2CCC3(CCN(C4=CC=C(C(=O)N5CCC(N6CCC7=CC8=C(C=C7C6)C(=O)N(C6CCC(=O)NC6=O)C8=O)CC5)C=C4)CC3)C2)C=C1Cl", "label": -1}, "5549": {"pro_comp_id": 3331, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_87_lig_smina_out.mol2", "war_path": "AR_P10275_377_lig_smina_out.mol2", "protac_path": "3331_protac.mol2", "smiles": "N#CC1=CC=C(N2CCC3(CCN(C4=CC=C(C(=O)N5CCC(CN6CCC7=CC8=C(C=C7C6)C(=O)N(C6CCC(=O)NC6=O)C8=O)CC5)C=C4)CC3)C2)C=C1Cl", "label": -1}, "5550": {"pro_comp_id": 3332, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_87_lig_smina_out.mol2", "war_path": "AR_P10275_377_lig_smina_out.mol2", "protac_path": "3332_protac.mol2", "smiles": "N#CC1=CC=C(N2CCC3(CCN(C4=CC=C(C(=O)N5CCC(CCN6CCC7=CC8=C(C=C7C6)C(=O)N(C6CCC(=O)NC6=O)C8=O)CC5)C=C4)CC3)C2)C=C1Cl", "label": -1}, "5551": {"pro_comp_id": 3333, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_88_lig_smina_out.mol2", "war_path": "AR_P10275_377_lig_smina_out.mol2", "protac_path": "3333_protac.mol2", "smiles": "N#CC1=CC=C(N2CCC3(CCN(C4=CC=C(C(=O)N5CCC(N6CCC7=CC8=C(C=C7CC6)C(=O)N(C6CCC(=O)NC6=O)C8=O)CC5)C=C4)CC3)C2)C=C1Cl", "label": -1}, "5552": {"pro_comp_id": 3334, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_88_lig_smina_out.mol2", "war_path": "AR_P10275_377_lig_smina_out.mol2", "protac_path": "3334_protac.mol2", "smiles": "N#CC1=CC=C(N2CCC3(CCN(C4=CC=C(C(=O)N5CCC(CN6CCC7=CC8=C(C=C7CC6)C(=O)N(C6CCC(=O)NC6=O)C8=O)CC5)C=C4)CC3)C2)C=C1Cl", "label": -1}, "5553": {"pro_comp_id": 3335, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_88_lig_smina_out.mol2", "war_path": "AR_P10275_377_lig_smina_out.mol2", "protac_path": "3335_protac.mol2", "smiles": "N#CC1=CC=C(N2CCC3(CCN(C4=CC=C(C(=O)N5CCC(CCN6CCC7=CC8=C(C=C7CC6)C(=O)N(C6CCC(=O)NC6=O)C8=O)CC5)C=C4)CC3)C2)C=C1Cl", "label": -1}, "5554": {"pro_comp_id": 3336, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "AR_P10275_379_lig_smina_out.mol2", "protac_path": "3336_protac.mol2", "smiles": "C[C@@H]1CC2(CCN(C3=CC=C(C(=O)N4CCC(CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1", "label": -1}, "5555": {"pro_comp_id": 3337, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "AR_F877L_P10275_378_lig_smina_out.mol2", "protac_path": "3337_protac.mol2", "smiles": "CC[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCC(CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1", "label": -1}, "5556": {"pro_comp_id": 3338, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "AR_F877L_P10275_378_lig_smina_out.mol2", "protac_path": "3338_protac.mol2", "smiles": "C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCC(N5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1", "label": -1}, "5557": {"pro_comp_id": 3339, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "AR_F877L_P10275_378_lig_smina_out.mol2", "protac_path": "3339_protac.mol2", "smiles": "C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CC(N5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)C4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1", "label": -1}, "5558": {"pro_comp_id": 3340, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "AR_F877L_P10275_378_lig_smina_out.mol2", "protac_path": "3340_protac.mol2", "smiles": "C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCC(F)(CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1", "label": -1}, "5559": {"pro_comp_id": 3341, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "AR_F877L_P10275_378_lig_smina_out.mol2", "protac_path": "3341_protac.mol2", "smiles": "C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCC(C)(CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1", "label": -1}, "5560": {"pro_comp_id": 3342, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "AR_F877L_P10275_378_lig_smina_out.mol2", "protac_path": "3342_protac.mol2", "smiles": "C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCC(O)(CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1", "label": -1}, "5561": {"pro_comp_id": 3343, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "AR_F877L_P10275_378_lig_smina_out.mol2", "protac_path": "3343_protac.mol2", "smiles": "C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCC(CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)N=N3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1", "label": -1}, "5562": {"pro_comp_id": 3344, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "AR_F877L_P10275_378_lig_smina_out.mol2", "protac_path": "3344_protac.mol2", "smiles": "C[C@H]1CC2(CCN(C3=CN=C(C(=O)N4CCC(CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)C=N3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1", "label": -1}, "5563": {"pro_comp_id": 3345, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "AR_F877L_P10275_378_lig_smina_out.mol2", "protac_path": "3345_protac.mol2", "smiles": "C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCC(CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)N=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1", "label": -1}, "5564": {"pro_comp_id": 3346, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "AR_F877L_P10275_378_lig_smina_out.mol2", "protac_path": "3346_protac.mol2", "smiles": "C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCC(CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)C=N3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1", "label": -1}, "5565": {"pro_comp_id": 3347, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_380_lig_smina_out.mol2", "protac_path": "3347_protac.mol2", "smiles": "COC1=CC(O)=C2C(=O)C=C(C3=CC=C(N4CCN(C(=O)CCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)OC2=C1C1=CCN(C)CC1", "label": -1}, "5566": {"pro_comp_id": 3348, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_380_lig_smina_out.mol2", "protac_path": "3348_protac.mol2", "smiles": "COC1=CC(O)=C2C(=O)C=C(C3=CC=C(N4CCN(C(=O)CCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)OC2=C1C1=CCN(C)CC1", "label": -1}, "5567": {"pro_comp_id": 3349, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_380_lig_smina_out.mol2", "protac_path": "3349_protac.mol2", "smiles": "COC1=CC(O)=C2C(=O)C=C(C3=CC=C(N4CCN(C(=O)CCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)OC2=C1C1=CCN(C)CC1", "label": -1}, "5568": {"pro_comp_id": 3350, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_380_lig_smina_out.mol2", "protac_path": "3350_protac.mol2", "smiles": "COC1=CC(O)=C2C(=O)C=C(C3=CC=C(N4CCN(C(=O)CCCCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)OC2=C1C1=CCN(C)CC1", "label": -1}, "5569": {"pro_comp_id": 3351, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_380_lig_smina_out.mol2", "protac_path": "3351_protac.mol2", "smiles": "COC1=CC(O)=C2C(=O)C=C(C3=CC=C(N4CCN(C(=O)CCCCCCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)OC2=C1C1=CCN(C)CC1", "label": -1}, "5570": {"pro_comp_id": 3352, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_380_lig_smina_out.mol2", "protac_path": "3352_protac.mol2", "smiles": "COC1=CC(O)=C2C(=O)C=C(C3=CC=C(N4CCN(C(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)OC2=C1C1=CCN(C)CC1", "label": -1}, "5571": {"pro_comp_id": 3353, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_380_lig_smina_out.mol2", "protac_path": "3353_protac.mol2", "smiles": "COC1=CC(O)=C2C(=O)C=C(C3=CC=C(N4CCN(CC5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)C=C3)OC2=C1C1=CCN(C)CC1", "label": -1}, "5572": {"pro_comp_id": 3354, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_380_lig_smina_out.mol2", "protac_path": "3354_protac.mol2", "smiles": "COC1=CC(O)=C2C(=O)C=C(C3=CC=C(N4CCN(C(=O)C5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)C=C3)OC2=C1C1=CCN(C)CC1", "label": -1}, "5573": {"pro_comp_id": 3355, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_380_lig_smina_out.mol2", "protac_path": "3355_protac.mol2", "smiles": "COC1=CC(O)=C2C(=O)C=C(C3=CC=C(N4CCN(CCC5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)C=C3)OC2=C1C1=CCN(C)CC1", "label": -1}, "5574": {"pro_comp_id": 3356, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_380_lig_smina_out.mol2", "protac_path": "3356_protac.mol2", "smiles": "COC1=CC(O)=C2C(=O)C=C(C3=CC=C(N4CCN(CC5CCN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)C=C3)OC2=C1C1=CCN(C)CC1", "label": -1}, "5575": {"pro_comp_id": 3357, "tar_path": "PDCD2_Q16342.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PDCD2_Q16342_381_lig_smina_out.mol2", "protac_path": "3357_protac.mol2", "smiles": "C[C@H](NC(=O)C1=CC=C2C(C3=CC=C(C(F)(F)F)C=C3)=CC=CC2=C1)C1=CC=CC(NCC2CCN(C(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=N1", "label": -1}, "5576": {"pro_comp_id": 3358, "tar_path": "PDCD2_Q16342.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PDCD2_Q16342_381_lig_smina_out.mol2", "protac_path": "3358_protac.mol2", "smiles": "C[C@H](NC(=O)C1=CC=C2C(C3=CC=C(C(F)(F)F)C=C3)=CC=CC2=C1)C1=CC=CC(NCCCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=N1", "label": -1}, "5577": {"pro_comp_id": 3359, "tar_path": "PDCD2_Q16342.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PDCD2_Q16342_381_lig_smina_out.mol2", "protac_path": "3359_protac.mol2", "smiles": "C[C@H](NC(=O)C1=CC=C2C(C3=CC=C(C(F)(F)F)C=C3)=CC=CC2=C1)C1=CC=CC(NCCCCCCCCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=N1", "label": -1}, "5578": {"pro_comp_id": 3360, "tar_path": "PDCD2_Q16342.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PDCD2_Q16342_381_lig_smina_out.mol2", "protac_path": "3360_protac.mol2", "smiles": "C[C@H](NC(=O)C1=CC=C2C(C3=CC=C(C(F)(F)F)C=C3)=CC=CC2=C1)C1=CC=CC(NCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=N1", "label": -1}, "5579": {"pro_comp_id": 3361, "tar_path": "PDCD2_Q16342.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PDCD2_Q16342_381_lig_smina_out.mol2", "protac_path": "3361_protac.mol2", "smiles": "C[C@H](NC(=O)C1=CC=C2C(C3=CC=C(C(F)(F)F)C=C3)=CC=CC2=C1)C1=CC=CC(NCCOCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=N1", "label": -1}, "5580": {"pro_comp_id": 3362, "tar_path": "PDCD2_Q16342.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PDCD2_Q16342_381_lig_smina_out.mol2", "protac_path": "3362_protac.mol2", "smiles": "C[C@H](NC(=O)C1=CC=C2C(C3=CC=C(C(F)(F)F)C=C3)=CC=CC2=C1)C1=CC=CC(NC2CCN(C(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=N1", "label": -1}, "5581": {"pro_comp_id": 3363, "tar_path": "PDCD2_Q16342.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PDCD2_Q16342_382_lig_smina_out.mol2", "protac_path": "3363_protac.mol2", "smiles": "C[C@H](NC(=O)C1=CN=C2C(C3=CC=C(C(F)(F)F)C=C3)=CC=CC2=C1)C1=CC=CC(NC2CCN(C(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=N1", "label": -1}, "5582": {"pro_comp_id": 3364, "tar_path": "PDCD2_Q16342.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PDCD2_Q16342_383_lig_smina_out.mol2", "protac_path": "3364_protac.mol2", "smiles": "C[C@H](NC(=O)C1=CC=C2C(C3=CC=CC=C3)=CC=CC2=C1)C1=CC=CC(NC2CCN(C(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=N1", "label": -1}, "5583": {"pro_comp_id": 3365, "tar_path": "PDCD2_Q16342.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PDCD2_Q16342_384_lig_smina_out.mol2", "protac_path": "3365_protac.mol2", "smiles": "C[C@H](NC(=O)C1=CC=C2C=CC=CC2=C1)C1=CC=CC(NC2CCN(C(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=N1", "label": -1}, "5584": {"pro_comp_id": 3366, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "ER_P03372_10_lig_smina_out.mol2", "protac_path": "3366_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(C2CCN(C3=CC=C([C@@H]5C6=CC=C(O)C=C6CC[C@@H]5C5=CC=CC=C5)C=C3)CC2)C4)C(=O)N1", "label": -1}, "5585": {"pro_comp_id": 3367, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "ER_P03372_10_lig_smina_out.mol2", "protac_path": "3367_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(CC2CCN(C3=CC=C([C@@H]5C6=CC=C(O)C=C6CC[C@@H]5C5=CC=CC=C5)C=C3)CC2)C4)C(=O)N1", "label": -1}, "5586": {"pro_comp_id": 3368, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "ER_P03372_10_lig_smina_out.mol2", "protac_path": "3368_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(CCC2CCN(C3=CC=C([C@@H]5C6=CC=C(O)C=C6CC[C@@H]5C5=CC=CC=C5)C=C3)CC2)C4)C(=O)N1", "label": -1}, "5587": {"pro_comp_id": 3369, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "ER_P03372_10_lig_smina_out.mol2", "protac_path": "3369_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(CCCC2CCN(C3=CC=C([C@@H]5C6=CC=C(O)C=C6CC[C@@H]5C5=CC=CC=C5)C=C3)CC2)C4)C(=O)N1", "label": -1}, "5588": {"pro_comp_id": 3370, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "ER_P03372_10_lig_smina_out.mol2", "protac_path": "3370_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(CCCCC2CCN(C3=CC=C([C@@H]5C6=CC=C(O)C=C6CC[C@@H]5C5=CC=CC=C5)C=C3)CC2)C4)C(=O)N1", "label": -1}, "5589": {"pro_comp_id": 3371, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "ER_P03372_10_lig_smina_out.mol2", "protac_path": "3371_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(CCCCCC2CCN(C3=CC=C([C@@H]5C6=CC=C(O)C=C6CC[C@@H]5C5=CC=CC=C5)C=C3)CC2)C4)C(=O)N1", "label": -1}, "5590": {"pro_comp_id": 3372, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "ER_P03372_10_lig_smina_out.mol2", "protac_path": "3372_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(CCCCCCC2CCN(C3=CC=C([C@@H]5C6=CC=C(O)C=C6CC[C@@H]5C5=CC=CC=C5)C=C3)CC2)C4)C(=O)N1", "label": -1}, "5591": {"pro_comp_id": 3373, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "ER_P03372_10_lig_smina_out.mol2", "protac_path": "3373_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(C2CN(CC3CCN(C5=CC=C([C@@H]6C7=CC=C(O)C=C7CC[C@@H]6C6=CC=CC=C6)C=C5)CC3)C2)C4)C(=O)N1", "label": -1}, "5592": {"pro_comp_id": 3374, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "ER_P03372_10_lig_smina_out.mol2", "protac_path": "3374_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(CC2CN(CC3CCN(C5=CC=C([C@@H]6C7=CC=C(O)C=C7CC[C@@H]6C6=CC=CC=C6)C=C5)CC3)C2)C4)C(=O)N1", "label": -1}, "5593": {"pro_comp_id": 3375, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "ER_P03372_10_lig_smina_out.mol2", "protac_path": "3375_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(C2CCN(CC3CCN(C5=CC=C([C@@H]6C7=CC=C(O)C=C7CC[C@@H]6C6=CC=CC=C6)C=C5)CC3)CC2)C4)C(=O)N1", "label": -1}, "5594": {"pro_comp_id": 3376, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "ER_P03372_10_lig_smina_out.mol2", "protac_path": "3376_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(CC2CCN(CC3CCN(C5=CC=C([C@@H]6C7=CC=C(O)C=C7CC[C@@H]6C6=CC=CC=C6)C=C5)CC3)CC2)C4)C(=O)N1", "label": -1}, "5595": {"pro_comp_id": 3377, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "ER_P03372_10_lig_smina_out.mol2", "protac_path": "3377_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(C2CCN(CC3CN(C5=CC=C([C@@H]6C7=CC=C(O)C=C7CC[C@@H]6C6=CC=CC=C6)C=C5)C3)CC2)C4)C(=O)N1", "label": -1}, "5596": {"pro_comp_id": 3378, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "ER_P03372_10_lig_smina_out.mol2", "protac_path": "3378_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(CC2CCN(CC3CN(C5=CC=C([C@@H]6C7=CC=C(O)C=C7CC[C@@H]6C6=CC=CC=C6)C=C5)C3)CC2)C4)C(=O)N1", "label": -1}, "5597": {"pro_comp_id": 3379, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "ER_P03372_10_lig_smina_out.mol2", "protac_path": "3379_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(CC2CN(C(=O)C3CCN(C5=CC=C([C@@H]6C7=CC=C(O)C=C7CC[C@@H]6C6=CC=CC=C6)C=C5)CC3)C2)C4)C(=O)N1", "label": -1}, "5598": {"pro_comp_id": 3380, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "ER_P03372_10_lig_smina_out.mol2", "protac_path": "3380_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(C2CCN(C(=O)C3CCN(C5=CC=C([C@@H]6C7=CC=C(O)C=C7CC[C@@H]6C6=CC=CC=C6)C=C5)CC3)CC2)C4)C(=O)N1", "label": -1}, "5599": {"pro_comp_id": 3381, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "ER_P03372_10_lig_smina_out.mol2", "protac_path": "3381_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(CC2CCN(C(=O)C3CCN(C5=CC=C([C@@H]6C7=CC=C(O)C=C7CC[C@@H]6C6=CC=CC=C6)C=C5)CC3)CC2)C4)C(=O)N1", "label": -1}, "5600": {"pro_comp_id": 3382, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "ER_P03372_10_lig_smina_out.mol2", "protac_path": "3382_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(C(=O)C2CCN(CC3CCN(C5=CC=C([C@@H]6C7=CC=C(O)C=C7CC[C@@H]6C6=CC=CC=C6)C=C5)CC3)CC2)C4)C(=O)N1", "label": -1}, "5601": {"pro_comp_id": 3383, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "ER_P03372_10_lig_smina_out.mol2", "protac_path": "3383_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(CC2CCN(C(=O)C3CN(C5=CC=C([C@@H]6C7=CC=C(O)C=C7CC[C@@H]6C6=CC=CC=C6)C=C5)C3)CC2)C4)C(=O)N1", "label": -1}, "5602": {"pro_comp_id": 3384, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "ER_P03372_10_lig_smina_out.mol2", "protac_path": "3384_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(C(=O)C2CCN(CC3CN(C5=CC=C([C@@H]6C7=CC=C(O)C=C7CC[C@@H]6C6=CC=CC=C6)C=C5)C3)CC2)C4)C(=O)N1", "label": -1}, "5603": {"pro_comp_id": 3385, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "ER_P03372_10_lig_smina_out.mol2", "protac_path": "3385_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(CC(=O)N2CC3(C2)CN(C2=CC=C([C@@H]5C6=CC=C(O)C=C6CC[C@@H]5C5=CC=CC=C5)C=C2)C3)C4)C(=O)N1", "label": -1}, "5604": {"pro_comp_id": 3386, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "ER_P03372_10_lig_smina_out.mol2", "protac_path": "3386_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(CC(=O)N2CCC3(C2)CN(C2=CC=C([C@@H]5C6=CC=C(O)C=C6CC[C@@H]5C5=CC=CC=C5)C=C2)C3)C4)C(=O)N1", "label": -1}, "5605": {"pro_comp_id": 3387, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "ER_P03372_10_lig_smina_out.mol2", "protac_path": "3387_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(CC(=O)N2CC3(CCN(C5=CC=C([C@@H]6C7=CC=C(O)C=C7CC[C@@H]6C6=CC=CC=C6)C=C5)C3)C2)C4)C(=O)N1", "label": -1}, "5606": {"pro_comp_id": 3388, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "ER_P03372_10_lig_smina_out.mol2", "protac_path": "3388_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(CC(=O)N2CCC3(CC2)CN(C2=CC=C([C@@H]5C6=CC=C(O)C=C6CC[C@@H]5C5=CC=CC=C5)C=C2)C3)C4)C(=O)N1", "label": -1}, "5607": {"pro_comp_id": 3389, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "ER_P03372_10_lig_smina_out.mol2", "protac_path": "3389_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(CC(=O)N2CC3(CCN(C5=CC=C([C@@H]6C7=CC=C(O)C=C7CC[C@@H]6C6=CC=CC=C6)C=C5)CC3)C2)C4)C(=O)N1", "label": -1}, "5608": {"pro_comp_id": 3390, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "ER_P03372_10_lig_smina_out.mol2", "protac_path": "3390_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(CC(=O)N2CCC3(CC2)CCN(C2=CC=C([C@@H]5C6=CC=C(O)C=C6CC[C@@H]5C5=CC=CC=C5)C=C2)C3)C4)C(=O)N1", "label": -1}, "5609": {"pro_comp_id": 3391, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "ER_P03372_10_lig_smina_out.mol2", "protac_path": "3391_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(CC(=O)N2CCC3(CCN(C5=CC=C([C@@H]6C7=CC=C(O)C=C7CC[C@@H]6C6=CC=CC=C6)C=C5)CC3)C2)C4)C(=O)N1", "label": -1}, "5610": {"pro_comp_id": 3392, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "ER_P03372_10_lig_smina_out.mol2", "protac_path": "3392_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(CC(=O)N2CCC3(CC2)CCN(C2=CC=C([C@@H]5C6=CC=C(O)C=C6CC[C@@H]5C5=CC=CC=C5)C=C2)CC3)C4)C(=O)N1", "label": -1}, "5611": {"pro_comp_id": 3393, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "ER_P03372_10_lig_smina_out.mol2", "protac_path": "3393_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(CC(=O)N2CCCC3(CCN(C5=CC=C([C@@H]6C7=CC=C(O)C=C7CC[C@@H]6C6=CC=CC=C6)C=C5)CC3)C2)C4)C(=O)N1", "label": -1}, "5612": {"pro_comp_id": 3394, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "ER_P03372_10_lig_smina_out.mol2", "protac_path": "3394_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(C(=O)CN2CCC3(CC2)CCN(C2=CC=C([C@@H]5C6=CC=C(O)C=C6CC[C@@H]5C5=CC=CC=C5)C=C2)CC3)C4)C(=O)N1", "label": -1}, "5613": {"pro_comp_id": 3395, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "ERalpha_P03372_385_lig_smina_out.mol2", "protac_path": "3395_protac.mol2", "smiles": "C[C@@H]1CC2=C([NH]C3=CC=CC=C23)[C@@H](C2=C(F)C=C(N3CCC4(CCN(C(=O)CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)CC3)C=C2F)N1CC(F)(F)CO", "label": -1}, "5614": {"pro_comp_id": 3396, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "ER_P03372_174_lig_smina_out.mol2", "protac_path": "3396_protac.mol2", "smiles": "C[C@@H]1CC2=C([NH]C3=CC=CC=C23)[C@@H](C2=C(F)C=C(N3CCC4(CCN(C(=O)CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)CC3)C=C2F)N1CC(C)(C)F", "label": -1}, "5615": {"pro_comp_id": 3397, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "ERalpha_P03372_385_lig_smina_out.mol2", "protac_path": "3397_protac.mol2", "smiles": "C[C@@H]1CC2=C([NH]C3=CC=CC=C23)[C@@H](C2=C(F)C=C(N3CCC4(CCN(C(=O)CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)CC3)C=C2F)N1CC(F)F", "label": -1}, "5616": {"pro_comp_id": 3398, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "ERalpha_P03372_386_lig_smina_out.mol2", "protac_path": "3398_protac.mol2", "smiles": "C[C@@H]1CC2=C(C=CC3=C2C=N[NH]3)[C@@H](C2=CC=C(N3CCC4(CCN(C(=O)CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)CC3)C=N2)N1CC(F)(F)F", "label": -1}, "5617": {"pro_comp_id": 3399, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "ERalpha_P03372_386_lig_smina_out.mol2", "protac_path": "3399_protac.mol2", "smiles": "C[C@@H]1CC2=C(C=CC3=C2C=N[NH]3)[C@@H](C2=C(F)C=C(N3CCC4(CCN(C(=O)CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)CC3)C=C2F)N1CC(F)(F)F", "label": -1}, "5618": {"pro_comp_id": 3400, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "ERalpha_P03372_386_lig_smina_out.mol2", "protac_path": "3400_protac.mol2", "smiles": "C[C@@H]1CC2=C(C=CC3=C2C=N[NH]3)[C@@H](C2=C(F)C=C(N3CCC4(CCN(C(=O)CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)CC3)C=C2F)N1CC(F)F", "label": -1}, "5619": {"pro_comp_id": 3401, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "ERalpha_P03372_386_lig_smina_out.mol2", "protac_path": "3401_protac.mol2", "smiles": "C[C@@H]1CC2=C(C=CC3=C2C=N[NH]3)[C@@H](C2=CC=C(N3CCC4(CCN(C(=O)CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)CC3)C=N2)N1CC(F)F", "label": -1}, "5620": {"pro_comp_id": 3402, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_75_lig_smina_out.mol2", "war_path": "ERalpha_P03372_386_lig_smina_out.mol2", "protac_path": "3402_protac.mol2", "smiles": "COC1=CC(N2CCC3(CCN(C(=O)CN4CC5=CC6=C(C=C5C4)C(=O)N(C4CCC(=O)NC4=O)C6=O)CC3)CC2)=CC=C1[C@@H]1C2=CC=C3[NH]N=CC3=C2C[C@@H](C)N1CC(F)F", "label": -1}, "5621": {"pro_comp_id": 3403, "tar_path": "Nef_P03406.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "Nef_P03406_387_lig_smina_out.mol2", "protac_path": "3403_protac.mol2", "smiles": "O=C(COC1=CC=C(CCC2=C(O)N(C3=NC4=CC(Cl)=CC=C4[NH]3)N=C2C2=CC=C(C(F)(F)F)C=C2)C=C1)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "5622": {"pro_comp_id": 3404, "tar_path": "Nef_P03406.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "Nef_P03406_387_lig_smina_out.mol2", "protac_path": "3404_protac.mol2", "smiles": "O=C(COCCOC1=CC=C(CCC2=C(O)N(C3=NC4=CC(Cl)=CC=C4[NH]3)N=C2C2=CC=C(C(F)(F)F)C=C2)C=C1)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "5623": {"pro_comp_id": 3405, "tar_path": "Nef_P03406.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "Nef_P03406_387_lig_smina_out.mol2", "protac_path": "3405_protac.mol2", "smiles": "CN(CCNC(=O)COCCOC1=CC=C(CCC2=C(O)N(C3=NC4=CC(Cl)=CC=C4[NH]3)N=C2C2=CC=C(C(F)(F)F)C=C2)C=C1)C1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "5624": {"pro_comp_id": 3406, "tar_path": "Nef_P03406.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "Nef_P03406_387_lig_smina_out.mol2", "protac_path": "3406_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)NCCOCCOCCOCC1=CC=C(C2=NN(C3=NC4=CC(Cl)=CC=C4[NH]3)C(O)=C2CCC2=CC=C(F)C=C2)C=C1", "label": -1}, "5625": {"pro_comp_id": 3407, "tar_path": "Nef_P03406.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "Nef_P03406_387_lig_smina_out.mol2", "protac_path": "3407_protac.mol2", "smiles": "O=C(COCCOCCOCCCC1=CC=C(C2=NN(C3=NC4=CC(Cl)=CC=C4[NH]3)C(O)=C2CCC2=CC=C(F)C=C2)C=C1)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "5626": {"pro_comp_id": 3408, "tar_path": "Nef_P03406.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "Nef_P03406_387_lig_smina_out.mol2", "protac_path": "3408_protac.mol2", "smiles": "O=C(COCCOCCOCCCC1=CC=C(C2=NN(C3=NC4=CC(Cl)=CC=C4[NH]3)C(O)=C2CCC2=CC=C(F)C=C2)C=C1)NCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "5627": {"pro_comp_id": 3409, "tar_path": "Nef_P03406.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "Nef_P03406_387_lig_smina_out.mol2", "protac_path": "3409_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(N4CCN(CC5CCN(C(=O)COCCOCCOCCCC6=CC=C(C7=NN(C8=NC9=CC(Cl)=CC=C9[NH]8)C(O)=C7CCC7=CC=C(F)C=C7)C=C6)CC5)CC4)C=C3C2=O)C(=O)N1", "label": -1}, "5628": {"pro_comp_id": 3410, "tar_path": "Nef_P03406.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "Nef_P03406_387_lig_smina_out.mol2", "protac_path": "3410_protac.mol2", "smiles": "O=C1CCC(N2CC3=C(OCC(=O)N4CCC(C5=NN(C6=NC7=CC(Cl)=CC=C7[NH]6)C(O)=C5CCC5=CC=C(F)C=C5)CC4)C=CC=C3C2=O)C(=O)N1", "label": -1}, "5629": {"pro_comp_id": 3411, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "HDAC3_O15379_86_lig_smina_out.mol2", "protac_path": "3411_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCC(=O)NC3=CC=C(C(=O)NC4=CC=C(F)C=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5630": {"pro_comp_id": 3412, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "HDAC3_O15379_86_lig_smina_out.mol2", "protac_path": "3412_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC=C(F)C=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5631": {"pro_comp_id": 3413, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "HDAC3_O15379_86_lig_smina_out.mol2", "protac_path": "3413_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC=C(F)C=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5632": {"pro_comp_id": 3414, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "HDAC3_O15379_86_lig_smina_out.mol2", "protac_path": "3414_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC=C(F)C=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5633": {"pro_comp_id": 3415, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "HDAC3_O15379_86_lig_smina_out.mol2", "protac_path": "3415_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC=C(F)C=C4N)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5634": {"pro_comp_id": 3416, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "HDAC3_O15379_389_lig_smina_out.mol2", "protac_path": "3416_protac.mol2", "smiles": "CCCNNC(=O)C1=CC=C(NC(=O)CCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)C=C1", "label": -1}, "5635": {"pro_comp_id": 3417, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "HDAC3_O15379_389_lig_smina_out.mol2", "protac_path": "3417_protac.mol2", "smiles": "CCCNNC(=O)C1=CC=C(NC(=O)CCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)C=C1", "label": -1}, "5636": {"pro_comp_id": 3417, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_389_lig_smina_out.mol2", "protac_path": "3417_protac.mol2", "smiles": "CCCNNC(=O)C1=CC=C(NC(=O)CCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)C=C1", "label": -1}, "5637": {"pro_comp_id": 3418, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "HDAC3_O15379_389_lig_smina_out.mol2", "protac_path": "3418_protac.mol2", "smiles": "CCCNNC(=O)C1=CC=C(NC(=O)CCCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)C=C1", "label": -1}, "5638": {"pro_comp_id": 3419, "tar_path": "CypA_P62937.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CypA_P62937_390_lig_smina_out.mol2", "protac_path": "3419_protac.mol2", "smiles": "CC1=C(C2=CC=C(C(C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCCOC3=CC=CC(O)=C3C(=O)NC(=O)NC3CCCCC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5639": {"pro_comp_id": 3420, "tar_path": "CypA_P62937.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CypA_P62937_390_lig_smina_out.mol2", "protac_path": "3420_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCOCCCCCC3=CC=CC(O)=C3C(=O)NC(=O)NC3CCCCC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5640": {"pro_comp_id": 3421, "tar_path": "CypA_P62937.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "CypA_P62937_391_lig_smina_out.mol2", "protac_path": "3421_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCCOC3=CC=CC(F)=C3C(=O)NC(=O)NC3C4=CC=CC=C4C4=CC=CC=C43)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5641": {"pro_comp_id": 3422, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK2_P24941_72_lig_smina_out.mol2", "protac_path": "3422_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CCCCCN4CCN(CC5=CC=C(NC(=O)C6=C(NC7=NC=NC8=C7C=C[NH]8)C=N[NH]6)C=C5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "5642": {"pro_comp_id": 3422, "tar_path": "cyclin_P24864.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "cyclin_E_P24864_72_lig_smina_out.mol2", "protac_path": "3422_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CCCCCN4CCN(CC5=CC=C(NC(=O)C6=C(NC7=NC=NC8=C7C=C[NH]8)C=N[NH]6)C=C5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "5643": {"pro_comp_id": 3423, "tar_path": "HSP90alpha_P07900.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HSP90alpha_P07900_392_lig_smina_out.mol2", "protac_path": "3423_protac.mol2", "smiles": "CC(C)C1=CC(C(=O)N2CC3=CC=C(CN4CCN(CCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3C2)=CC=C1O", "label": -1}, "5644": {"pro_comp_id": 3424, "tar_path": "NR4A1_P22736.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NR4A1_P22736_393_lig_smina_out.mol2", "protac_path": "3424_protac.mol2", "smiles": "CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)NCCOCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)C[C@H]4[C@]3(C)CC[C@@]21C", "label": -1}, "5645": {"pro_comp_id": 3425, "tar_path": "NR4A1_P22736.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NR4A1_P22736_393_lig_smina_out.mol2", "protac_path": "3425_protac.mol2", "smiles": "CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)C[C@H]4[C@]3(C)CC[C@@]21C", "label": -1}, "5646": {"pro_comp_id": 3426, "tar_path": "NR4A1_P22736.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NR4A1_P22736_393_lig_smina_out.mol2", "protac_path": "3426_protac.mol2", "smiles": "CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)NCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)C[C@H]4[C@]3(C)CC[C@@]21C", "label": -1}, "5647": {"pro_comp_id": 3427, "tar_path": "PIKfyve_Q9Y2I7.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PIKfyve_Q9Y2I7_394_lig_smina_out.mol2", "protac_path": "3427_protac.mol2", "smiles": "CC1=CC=CC(/C=N/NC2=CC(N3CCOCC3)=NC(OCCNC(=O)CCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=N2)=C1", "label": -1}, "5648": {"pro_comp_id": 3428, "tar_path": "PIKfyve_Q9Y2I7.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PIKfyve_Q9Y2I7_394_lig_smina_out.mol2", "protac_path": "3428_protac.mol2", "smiles": "CC1=CC=CC(/C=N/NC2=CC(N3CCOCC3)=NC(OCCNC(=O)CCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=N2)=C1", "label": -1}, "5649": {"pro_comp_id": 3429, "tar_path": "PIKfyve_Q9Y2I7.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PIKfyve_Q9Y2I7_394_lig_smina_out.mol2", "protac_path": "3429_protac.mol2", "smiles": "CC1=CC=CC(/C=N/NC2=CC(N3CCOCC3)=NC(OCCNC(=O)CCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=N2)=C1", "label": -1}, "5650": {"pro_comp_id": 3430, "tar_path": "PIKfyve_Q9Y2I7.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PIKfyve_Q9Y2I7_394_lig_smina_out.mol2", "protac_path": "3430_protac.mol2", "smiles": "CC1=CC=CC(/C=N/NC2=CC(N3CCOCC3)=NC(OCCNC(=O)CCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=N2)=C1", "label": -1}, "5651": {"pro_comp_id": 3431, "tar_path": "PIKfyve_Q9Y2I7.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PIKfyve_Q9Y2I7_394_lig_smina_out.mol2", "protac_path": "3431_protac.mol2", "smiles": "CC1=CC=CC(/C=N/NC2=CC(N3CCOCC3)=NC(OCCNC(=O)CCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=N2)=C1", "label": -1}, "5652": {"pro_comp_id": 3432, "tar_path": "PIKfyve_Q9Y2I7.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PIKfyve_Q9Y2I7_394_lig_smina_out.mol2", "protac_path": "3432_protac.mol2", "smiles": "CC1=CC=CC(/C=N/NC2=CC(N3CCOCC3)=NC(OCCNC(=O)CCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=N2)=C1", "label": -1}, "5653": {"pro_comp_id": 3433, "tar_path": "PIKfyve_Q9Y2I7.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PIKfyve_Q9Y2I7_394_lig_smina_out.mol2", "protac_path": "3433_protac.mol2", "smiles": "CC1=CC=CC(/C=N/NC2=CC(N3CCOCC3)=NC(OCCNC(=O)CCCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=N2)=C1", "label": -1}, "5654": {"pro_comp_id": 3434, "tar_path": "PIKfyve_Q9Y2I7.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PIKfyve_Q9Y2I7_394_lig_smina_out.mol2", "protac_path": "3434_protac.mol2", "smiles": "CC1=CC=CC(/C=N/NC2=CC(N3CCOCC3)=NC(OCCC3=CC=C(NC(=O)CCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3)=N2)=C1", "label": -1}, "5655": {"pro_comp_id": 3435, "tar_path": "PIKfyve_Q9Y2I7.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PIKfyve_Q9Y2I7_394_lig_smina_out.mol2", "protac_path": "3435_protac.mol2", "smiles": "CC1=CC=CC(/C=N/NC2=CC(N3CCOCC3)=NC(OCCC3=CC=C(NC(=O)CCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3)=N2)=C1", "label": -1}, "5656": {"pro_comp_id": 3436, "tar_path": "PIKfyve_Q9Y2I7.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PIKfyve_Q9Y2I7_394_lig_smina_out.mol2", "protac_path": "3436_protac.mol2", "smiles": "CC1=CC=CC(/C=N/NC2=CC(N3CCOCC3)=NC(OCCC3=CC=C(NC(=O)CCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3)=N2)=C1", "label": -1}, "5657": {"pro_comp_id": 3437, "tar_path": "PIKfyve_Q9Y2I7.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PIKfyve_Q9Y2I7_394_lig_smina_out.mol2", "protac_path": "3437_protac.mol2", "smiles": "CC1=CC=CC(/C=N/NC2=CC(N3CCOCC3)=NC(OCCC3=CC=C(NC(=O)CCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3)=N2)=C1", "label": -1}, "5658": {"pro_comp_id": 3438, "tar_path": "PIKfyve_Q9Y2I7.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PIKfyve_Q9Y2I7_394_lig_smina_out.mol2", "protac_path": "3438_protac.mol2", "smiles": "CC1=CC=CC(/C=N/NC2=CC(N3CCOCC3)=NC(OCCC3=CC=C(NC(=O)CCCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3)=N2)=C1", "label": -1}, "5659": {"pro_comp_id": 3439, "tar_path": "PIKfyve_Q9Y2I7.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PIKfyve_Q9Y2I7_394_lig_smina_out.mol2", "protac_path": "3439_protac.mol2", "smiles": "CC1=CC=CC(/C=N/NC2=CC(N3CCOCC3)=NC(OCCC3=CC=C(NC(=O)CCCCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3)=N2)=C1", "label": -1}, "5660": {"pro_comp_id": 3440, "tar_path": "PIKfyve_Q9Y2I7.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PIKfyve_Q9Y2I7_394_lig_smina_out.mol2", "protac_path": "3440_protac.mol2", "smiles": "CC1=CC=CC(/C=N/NC2=CC(N3CCOCC3)=NC(OCCC3=CC=C(NC(=O)CCCCCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3)=N2)=C1", "label": -1}, "5661": {"pro_comp_id": 3441, "tar_path": "PIKfyve_Q9Y2I7.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PIKfyve_Q9Y2I7_394_lig_smina_out.mol2", "protac_path": "3441_protac.mol2", "smiles": "CC1=CC=CC(/C=N/NC2=CC(N3CCOCC3)=NC(OCCC3=CC=C(NC(=O)CCCCCCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3)=N2)=C1", "label": -1}, "5662": {"pro_comp_id": 3442, "tar_path": "PIKfyve_Q9Y2I7.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PIKfyve_Q9Y2I7_394_lig_smina_out.mol2", "protac_path": "3442_protac.mol2", "smiles": "CC1=CC=CC(/C=N/NC2=CC(N3CCOCC3)=NC(OCCC3=CC=C(NC(=O)CCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3)=N2)=C1", "label": -1}, "5663": {"pro_comp_id": 3443, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "3443_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)C2=CC=C(CNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)C=C2)C1", "label": -1}, "5664": {"pro_comp_id": 3444, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "3444_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)C2=CC=C(NC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)C=C2)C1", "label": -1}, "5665": {"pro_comp_id": 3445, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "3445_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)C2=CC=C(NC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)CC4=C3)C=C2)C1", "label": -1}, "5666": {"pro_comp_id": 3446, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "3446_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)N2CCN(C3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)C1", "label": -1}, "5667": {"pro_comp_id": 3447, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "3447_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)N2CC3(C2)CN(C2=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C2)C3)C1", "label": -1}, "5668": {"pro_comp_id": 3448, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "3448_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)NC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)C1", "label": -1}, "5669": {"pro_comp_id": 3449, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_160_lig_smina_out.mol2", "protac_path": "3449_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)C2=CC=C(C3=CC=C(NC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C=C3)C=C2)C1", "label": -1}, "5670": {"pro_comp_id": 3450, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_395_lig_smina_out.mol2", "protac_path": "3450_protac.mol2", "smiles": "CC1(OC2=CC=C3[NH]N=C(C4=CC(N5CCN(C(=O)CCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)=NC=N4)C3=C2)CC1", "label": -1}, "5671": {"pro_comp_id": 3450, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_395_lig_smina_out.mol2", "protac_path": "3450_protac.mol2", "smiles": "CC1(OC2=CC=C3[NH]N=C(C4=CC(N5CCN(C(=O)CCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)=NC=N4)C3=C2)CC1", "label": -1}, "5674": {"pro_comp_id": 3452, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_395_lig_smina_out.mol2", "protac_path": "3452_protac.mol2", "smiles": "CC1(OC2=CC=C3[NH]N=C(C4=CC(N5CCN(C(=O)CCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)=NC=N4)C3=C2)CC1", "label": -1}, "5675": {"pro_comp_id": 3452, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_395_lig_smina_out.mol2", "protac_path": "3452_protac.mol2", "smiles": "CC1(OC2=CC=C3[NH]N=C(C4=CC(N5CCN(C(=O)CCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)=NC=N4)C3=C2)CC1", "label": -1}, "5676": {"pro_comp_id": 3453, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_395_lig_smina_out.mol2", "protac_path": "3453_protac.mol2", "smiles": "CC1(OC2=CC=C3[NH]N=C(C4=CC(N5CCN(C(=O)CCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCCNC6=O)C7=O)CC5)=NC=N4)C3=C2)CC1", "label": -1}, "5677": {"pro_comp_id": 3453, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_395_lig_smina_out.mol2", "protac_path": "3453_protac.mol2", "smiles": "CC1(OC2=CC=C3[NH]N=C(C4=CC(N5CCN(C(=O)CCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCCNC6=O)C7=O)CC5)=NC=N4)C3=C2)CC1", "label": -1}, "5680": {"pro_comp_id": 3455, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_395_lig_smina_out.mol2", "protac_path": "3455_protac.mol2", "smiles": "CC1(OC2=CC=C3[NH]N=C(C4=CC(N5CCN(C(=O)CCOCCOCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)=NC=N4)C3=C2)CC1", "label": -1}, "5681": {"pro_comp_id": 3455, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_395_lig_smina_out.mol2", "protac_path": "3455_protac.mol2", "smiles": "CC1(OC2=CC=C3[NH]N=C(C4=CC(N5CCN(C(=O)CCOCCOCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)=NC=N4)C3=C2)CC1", "label": -1}, "5684": {"pro_comp_id": 3457, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "HDAC3_O15379_396_lig_smina_out.mol2", "protac_path": "3457_protac.mol2", "smiles": "CCCNNC(=O)C1=CC=C(N2CCN(CCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)C=C1", "label": -1}, "5685": {"pro_comp_id": 3457, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_396_lig_smina_out.mol2", "protac_path": "3457_protac.mol2", "smiles": "CCCNNC(=O)C1=CC=C(N2CCN(CCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)C=C1", "label": -1}, "5686": {"pro_comp_id": 3458, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_9_lig_smina_out.mol2", "war_path": "EZH2_Q15910_397_lig_smina_out.mol2", "protac_path": "3458_protac.mol2", "smiles": "CCN(C1=CC(C2=CC=C(CN3CCN(C(=O)C4=CN(CCOCCOCCNC(=O)CN5CCN(C(=O)N6C(C7=CC=C(OC)C=C7OC(C)C)=NC(C7=CC=C(Cl)C=C7)C6C6=CC=C(Cl)C=C6)CC5=O)N=N4)CC3)C=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1", "label": -1}, "5687": {"pro_comp_id": 3459, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_9_lig_smina_out.mol2", "war_path": "EZH2_Q15910_397_lig_smina_out.mol2", "protac_path": "3459_protac.mol2", "smiles": "CCN(C1=CC(C2=CC=C(CN3CCN(C(=O)C4=CN(CCOCCOCCOCCNC(=O)CN5CCN(C(=O)N6C(C7=CC=C(OC)C=C7OC(C)C)=NC(C7=CC=C(Cl)C=C7)C6C6=CC=C(Cl)C=C6)CC5=O)N=N4)CC3)C=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1", "label": -1}, "5688": {"pro_comp_id": 3460, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_9_lig_smina_out.mol2", "war_path": "EZH2_Q15910_397_lig_smina_out.mol2", "protac_path": "3460_protac.mol2", "smiles": "CCN(C1=CC(C2=CC=C(CN3CCN(C(=O)C4=CN(CCOCCOCCOCCOCCNC(=O)CN5CCN(C(=O)N6C(C7=CC=C(OC)C=C7OC(C)C)=NC(C7=CC=C(Cl)C=C7)C6C6=CC=C(Cl)C=C6)CC5=O)N=N4)CC3)C=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1", "label": -1}, "5689": {"pro_comp_id": 3461, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EZH2_Q15910_397_lig_smina_out.mol2", "protac_path": "3461_protac.mol2", "smiles": "CCN(C1=CC(C2=CC=C(CN3CCN(C(=O)C4=CN(CCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1", "label": -1}, "5690": {"pro_comp_id": 3462, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_397_lig_smina_out.mol2", "protac_path": "3462_protac.mol2", "smiles": "CCN(C1=CC(C2=CC=C(CN3CCN(C(=O)C4=CN(CC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)N=N4)CC3)C=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1", "label": -1}, "5691": {"pro_comp_id": 3463, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_397_lig_smina_out.mol2", "protac_path": "3463_protac.mol2", "smiles": "CCN(C1=CC(C2=CC=C(CN3CCN(C(=O)C4=CN(CCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)N=N4)CC3)C=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1", "label": -1}, "5692": {"pro_comp_id": 3464, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_397_lig_smina_out.mol2", "protac_path": "3464_protac.mol2", "smiles": "CCN(C1=CC(C2=CC=C(CN3CCN(C(=O)C4=CN(CCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)N=N4)CC3)C=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1", "label": -1}, "5693": {"pro_comp_id": 3465, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_38_lig_smina_out.mol2", "war_path": "EZH2_Q15910_397_lig_smina_out.mol2", "protac_path": "3465_protac.mol2", "smiles": "CCN(C1=CC(C2=CC=C(CN3CCN(C(=O)C4=CN(CC(=O)N[C@H](CC5=CC=CC=C5)[C@H](O)C(=O)N[C@@H](CC(C)C)C(=O)OC)N=N4)CC3)C=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1", "label": -1}, "5694": {"pro_comp_id": 3466, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_38_lig_smina_out.mol2", "war_path": "EZH2_Q15910_398_lig_smina_out.mol2", "protac_path": "3466_protac.mol2", "smiles": "CCN(C1=CC(C2=CC=C(CN3CCN(C(=O)CCC4=CN(CCOCCOCCOCCNC(=O)C(CC(C)C)NC(=O)C(O)C(N)CC5=CC=CC=C5)N=N4)CC3)C=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1", "label": -1}, "5695": {"pro_comp_id": 3467, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3467_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CN3C=C(CCCOC4=CC=C(C(C)(C)C5=CC=C(OC[C@H](O)CCl)C=C5)C=C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5696": {"pro_comp_id": 3467, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3467_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CN3C=C(CCCOC4=CC=C(C(C)(C)C5=CC=C(OC[C@H](O)CCl)C=C5)C=C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5697": {"pro_comp_id": 3468, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3468_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CN3C=C(CCCCOC4=CC=C(C(C)(C)C5=CC=C(OC[C@H](O)CCl)C=C5)C=C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5698": {"pro_comp_id": 3468, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3468_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CN3C=C(CCCCOC4=CC=C(C(C)(C)C5=CC=C(OC[C@H](O)CCl)C=C5)C=C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5699": {"pro_comp_id": 3469, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3469_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CN3C=C(CCCCCOC4=CC=C(C(C)(C)C5=CC=C(OC[C@H](O)CCl)C=C5)C=C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5700": {"pro_comp_id": 3469, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3469_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CN3C=C(CCCCCOC4=CC=C(C(C)(C)C5=CC=C(OC[C@H](O)CCl)C=C5)C=C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5701": {"pro_comp_id": 3470, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3470_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCCCC2=CN(CCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)N=N2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5702": {"pro_comp_id": 3470, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3470_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCCCC2=CN(CCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)N=N2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5703": {"pro_comp_id": 3471, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3471_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCCCCC2=CN(CCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)N=N2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5704": {"pro_comp_id": 3471, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3471_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCCCCC2=CN(CCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)N=N2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5705": {"pro_comp_id": 3472, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3472_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCCCCCC2=CN(CCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)N=N2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5706": {"pro_comp_id": 3472, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3472_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCCCCCC2=CN(CCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)N=N2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5707": {"pro_comp_id": 3473, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3473_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCCCCCCC2=CN(CCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)N=N2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5708": {"pro_comp_id": 3473, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3473_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCCCCCCC2=CN(CCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)N=N2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5709": {"pro_comp_id": 3474, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3474_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCCCCCCCC2=CN(CCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)N=N2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5710": {"pro_comp_id": 3474, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3474_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCCCCCCCC2=CN(CCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)N=N2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5711": {"pro_comp_id": 3475, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3475_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCCOCCOCC2=CN(CCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)N=N2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5712": {"pro_comp_id": 3475, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3475_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCCOCCOCC2=CN(CCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)N=N2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5713": {"pro_comp_id": 3476, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3476_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCC2CCN(C(=O)CNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5714": {"pro_comp_id": 3476, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3476_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCC2CCN(C(=O)CNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5715": {"pro_comp_id": 3477, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3477_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCC2CCN(C(=O)CCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5716": {"pro_comp_id": 3477, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3477_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCC2CCN(C(=O)CCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5717": {"pro_comp_id": 3478, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3478_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCC2CCN(C(=O)CCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5718": {"pro_comp_id": 3478, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3478_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCC2CCN(C(=O)CCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5719": {"pro_comp_id": 3479, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3479_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCC2CN(C3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5720": {"pro_comp_id": 3479, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3479_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCC2CN(C3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5721": {"pro_comp_id": 3480, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3480_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCC2CN(CC3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5722": {"pro_comp_id": 3480, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3480_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCC2CN(CC3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5723": {"pro_comp_id": 3481, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3481_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCC2CCN(C3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5724": {"pro_comp_id": 3481, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3481_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCC2CCN(C3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5725": {"pro_comp_id": 3482, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3482_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCC2CCN(CC3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5726": {"pro_comp_id": 3482, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3482_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCC2CCN(CC3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5727": {"pro_comp_id": 3483, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3483_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCC2CCN(CC3CN(C4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5728": {"pro_comp_id": 3483, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3483_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCC2CCN(CC3CN(C4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5729": {"pro_comp_id": 3484, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3484_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCC2CCN(CC3CN(CC4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5730": {"pro_comp_id": 3484, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3484_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCC2CCN(CC3CN(CC4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5731": {"pro_comp_id": 3485, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3485_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCC2CCN(CC3CCN(C4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5732": {"pro_comp_id": 3485, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3485_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCC2CCN(CC3CCN(C4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5733": {"pro_comp_id": 3486, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3486_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCC2CCN(CC3CCN(CC4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5734": {"pro_comp_id": 3486, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3486_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCC2CCN(CC3CCN(CC4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5735": {"pro_comp_id": 3487, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3487_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCC2CCN(C(=O)N3CCC4(CC3)CCN(C3=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C3)CC4)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5736": {"pro_comp_id": 3487, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3487_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCC2CCN(C(=O)N3CCC4(CC3)CCN(C3=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C3)CC4)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5737": {"pro_comp_id": 3488, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3488_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCC2CCN(C(=O)C3=CC=C(N4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5738": {"pro_comp_id": 3488, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3488_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCC2CCN(C(=O)C3=CC=C(N4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5739": {"pro_comp_id": 3489, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3489_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCC2CN(C3CCN(C4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5740": {"pro_comp_id": 3489, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3489_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCC2CN(C3CCN(C4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5741": {"pro_comp_id": 3490, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3490_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCC2CN(CC3CCN(C4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5742": {"pro_comp_id": 3490, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3490_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCC2CN(CC3CCN(C4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5743": {"pro_comp_id": 3491, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3491_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCC2CCN(C3CCN(C4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5744": {"pro_comp_id": 3491, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3491_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCC2CCN(C3CCN(C4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5745": {"pro_comp_id": 3492, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3492_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCC2CCN(CC3CCN(C4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5746": {"pro_comp_id": 3492, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3492_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCC2CCN(CC3CCN(C4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5747": {"pro_comp_id": 3493, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3493_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCC2CCN(CC3CN(C4CCN(C5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5748": {"pro_comp_id": 3493, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3493_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCC2CCN(CC3CN(C4CCN(C5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5749": {"pro_comp_id": 3494, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3494_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCC2CCN(CC3CN(CC4CCN(C5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5750": {"pro_comp_id": 3494, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3494_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCC2CCN(CC3CN(CC4CCN(C5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5751": {"pro_comp_id": 3495, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3495_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCC2CCN(CC3CCN(C4CCN(C5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5752": {"pro_comp_id": 3495, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3495_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCC2CCN(CC3CCN(C4CCN(C5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5753": {"pro_comp_id": 3496, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3496_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCC2CCN(CC3CCN(CC4CCN(C5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5754": {"pro_comp_id": 3496, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3496_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCC2CCN(CC3CCN(CC4CCN(C5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5755": {"pro_comp_id": 3497, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3497_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCC2CCN(C(=O)N3CCC4(CC3)CCN(C3=CC=CC5=C3C(=O)N(C3CCC(=O)NC3=O)C5=O)CC4)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5756": {"pro_comp_id": 3497, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3497_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCC2CCN(C(=O)N3CCC4(CC3)CCN(C3=CC=CC5=C3C(=O)N(C3CCC(=O)NC3=O)C5=O)CC4)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5757": {"pro_comp_id": 3498, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3498_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCC2CCN(C(=O)C3=CC=C(N4CCN(C5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5758": {"pro_comp_id": 3498, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_400_lig_smina_out.mol2", "protac_path": "3498_protac.mol2", "smiles": "CC(C)(C1=CC=C(OCC2CCN(C(=O)C3=CC=C(N4CCN(C5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1", "label": -1}, "5759": {"pro_comp_id": 3499, "tar_path": "PCLAF_Q15004.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PCLAF_Q15004_401_lig_smina_out.mol2", "protac_path": "3499_protac.mol2", "smiles": "C[C@@H]1CCC2[C@@H](C)[C@@H](OCCN(CCO[C@H]3O[C@@H]4O[C@@]5(C)CCC6[C@H](C)CCC([C@H]3C)[C@]64OO5)C(=O)CCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)O[C@@H]3O[C@@]4(C)CCC1[C@@]23OO4", "label": -1}, "5762": {"pro_comp_id": 3501, "tar_path": "AXL_P30530.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_89_lig_smina_out.mol2", "war_path": "AXL_P30530_402_lig_smina_out.mol2", "protac_path": "3501_protac.mol2", "smiles": "CN1C(=O)N(C2CCC(=O)NC2=O)C2=CC=C(CCCOCCOCCN3CCN(CC4=CC=C(C5=CN([C@H]6CC[C@H](O)CC6)C6=NC(NCCC(F)(F)F)=NC=C56)C=C4)CC3)C=C21", "label": -1}, "5764": {"pro_comp_id": 3502, "tar_path": "AXL_P30530.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_89_lig_smina_out.mol2", "war_path": "AXL_P30530_402_lig_smina_out.mol2", "protac_path": "3502_protac.mol2", "smiles": "C[C@H](CC(F)(F)F)NC1=NC=C2C(C3=CC=C(CN4CCN(CCCOCCCC5=CC=C6C(=C5)N(C)C(=O)N6C5CCC(=O)NC5=O)CC4)C=C3)=CN([C@H]3CC[C@H](O)CC3)C2=N1", "label": -1}, "5765": {"pro_comp_id": 3502, "tar_path": "TYRO3_Q06418.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_89_lig_smina_out.mol2", "war_path": "TYRO3_Q06418_402_lig_smina_out.mol2", "protac_path": "3502_protac.mol2", "smiles": "C[C@H](CC(F)(F)F)NC1=NC=C2C(C3=CC=C(CN4CCN(CCCOCCCC5=CC=C6C(=C5)N(C)C(=O)N6C5CCC(=O)NC5=O)CC4)C=C3)=CN([C@H]3CC[C@H](O)CC3)C2=N1", "label": -1}, "5766": {"pro_comp_id": 3503, "tar_path": "MLKL_Q8NB16.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MLKL_Q8NB16_403_lig_smina_out.mol2", "protac_path": "3503_protac.mol2", "smiles": "NC(=O)C1=C(NC2=CC=CC(OCC(=O)NCC(=O)NC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)=C2)[NH]N=C1C1=CC=C(NS(=O)(=O)C(F)F)C=C1", "label": -1}, "5767": {"pro_comp_id": 3504, "tar_path": "MLKL_Q8NB16.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MLKL_Q8NB16_403_lig_smina_out.mol2", "protac_path": "3504_protac.mol2", "smiles": "NC(=O)C1=C(NC2=CC=CC(OCC(=O)NCCCC(=O)NC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)=C2)[NH]N=C1C1=CC=C(NS(=O)(=O)C(F)F)C=C1", "label": -1}, "5768": {"pro_comp_id": 3505, "tar_path": "MLKL_Q8NB16.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MLKL_Q8NB16_403_lig_smina_out.mol2", "protac_path": "3505_protac.mol2", "smiles": "NC(=O)C1=C(NC2=CC=CC(OCC(=O)NCCCCCC(=O)NC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)=C2)[NH]N=C1C1=CC=C(NS(=O)(=O)C(F)F)C=C1", "label": -1}, "5769": {"pro_comp_id": 3506, "tar_path": "MLKL_Q8NB16.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MLKL_Q8NB16_403_lig_smina_out.mol2", "protac_path": "3506_protac.mol2", "smiles": "NC(=O)C1=C(NC2=CC=CC(OCC(=O)NCCCCCCCC(=O)NC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)=C2)[NH]N=C1C1=CC=C(NS(=O)(=O)C(F)F)C=C1", "label": -1}, "5770": {"pro_comp_id": 3507, "tar_path": "MLKL_Q8NB16.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MLKL_Q8NB16_403_lig_smina_out.mol2", "protac_path": "3507_protac.mol2", "smiles": "NC(=O)C1=C(NC2=CC=CC(OCC(=O)NCCCCCCCCCCC(=O)NC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)=C2)[NH]N=C1C1=CC=C(NS(=O)(=O)C(F)F)C=C1", "label": -1}, "5771": {"pro_comp_id": 3508, "tar_path": "MLKL_Q8NB16.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MLKL_Q8NB16_403_lig_smina_out.mol2", "protac_path": "3508_protac.mol2", "smiles": "NC(=O)C1=C(NC2=CC=CC(OCCCCCCCC(=O)N3CCC(CCC(=O)NC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)=C2)[NH]N=C1C1=CC=C(NS(=O)(=O)C(F)F)C=C1", "label": -1}, "5772": {"pro_comp_id": 3509, "tar_path": "MLKL_Q8NB16.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MLKL_Q8NB16_403_lig_smina_out.mol2", "protac_path": "3509_protac.mol2", "smiles": "NC(=O)C1=C(NC2=CC=CC(OCC(=O)NCCOCCOCC(=O)NC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)=C2)[NH]N=C1C1=CC=C(NS(=O)(=O)C(F)F)C=C1", "label": -1}, "5773": {"pro_comp_id": 3510, "tar_path": "MLKL_Q8NB16.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MLKL_Q8NB16_403_lig_smina_out.mol2", "protac_path": "3510_protac.mol2", "smiles": "NC(=O)C1=C(NC2=CC=CC(OCC(=O)NCCOCCOCCOCC(=O)NC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)=C2)[NH]N=C1C1=CC=C(NS(=O)(=O)C(F)F)C=C1", "label": -1}, "5774": {"pro_comp_id": 3511, "tar_path": "MLKL_Q8NB16.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MLKL_Q8NB16_403_lig_smina_out.mol2", "protac_path": "3511_protac.mol2", "smiles": "NC(=O)C1=C(NC2=CC=CC(OCCCCCCCC(=O)N3CCN(C4=CC=C(NC5CCC(=O)NC5=O)C=C4F)CC3)=C2)[NH]N=C1C1=CC=C(NS(=O)(=O)C(F)F)C=C1", "label": -1}, "5775": {"pro_comp_id": 3512, "tar_path": "MLKL_Q8NB16.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_79_lig_smina_out.mol2", "war_path": "MLKL_Q8NB16_403_lig_smina_out.mol2", "protac_path": "3512_protac.mol2", "smiles": "COC1=CC=C(C(=O)N2CCC(CNC(=O)CCCCCCCOC3=CC=CC(NC4=C(C(N)=O)C(C5=CC=C(NS(=O)(=O)C(F)F)C=C5)=N[NH]4)=C3)CC2)C=C1N1CCC(=O)NC1=O", "label": -1}, "5776": {"pro_comp_id": 3513, "tar_path": "MLKL_Q8NB16.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_79_lig_smina_out.mol2", "war_path": "MLKL_Q8NB16_403_lig_smina_out.mol2", "protac_path": "3513_protac.mol2", "smiles": "COC1=CC=C(C(=O)N2CCC3(CCN(C(=O)CCCCCCCOC4=CC=CC(NC5=C(C(N)=O)C(C6=CC=C(NS(=O)(=O)C(F)F)C=C6)=N[NH]5)=C4)CC3)CC2)C=C1N1CCC(=O)NC1=O", "label": -1}, "5777": {"pro_comp_id": 3514, "tar_path": "MLKL_Q8NB16.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_79_lig_smina_out.mol2", "war_path": "MLKL_Q8NB16_403_lig_smina_out.mol2", "protac_path": "3514_protac.mol2", "smiles": "COC1=CC=C(C(=O)N2CCC3(CCN(C(=O)CCC4CCN(C(=O)COC5=CC=CC(NC6=C(C(N)=O)C(C7=CC=C(NS(=O)(=O)C(F)F)C=C7)=N[NH]6)=C5)CC4)CC3)CC2)C=C1N1CCC(=O)NC1=O", "label": -1}, "5778": {"pro_comp_id": 3515, "tar_path": "MLKL_Q8NB16.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_79_lig_smina_out.mol2", "war_path": "MLKL_Q8NB16_403_lig_smina_out.mol2", "protac_path": "3515_protac.mol2", "smiles": "COC1=CC=C(C(=O)N2CCC3(CCN(C(=O)COCCOCCOC4=CC=CC(NC5=C(C(N)=O)C(C6=CC=C(NS(=O)(=O)C(F)F)C=C6)=N[NH]5)=C4)CC3)CC2)C=C1N1CCC(=O)NC1=O", "label": -1}, "5779": {"pro_comp_id": 3516, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_404_lig_smina_out.mol2", "protac_path": "3516_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCN3C=C(C4=CC(C5=CC=CC=C5O)=NN=C4N)C=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5780": {"pro_comp_id": 3516, "tar_path": "SMARCA4_P51532.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA4_P51532_404_lig_smina_out.mol2", "protac_path": "3516_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCN3C=C(C4=CC(C5=CC=CC=C5O)=NN=C4N)C=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5781": {"pro_comp_id": 3517, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_404_lig_smina_out.mol2", "protac_path": "3517_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCN3C=C(C4=CC(C5=CC=CC=C5O)=NN=C4N)C=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5782": {"pro_comp_id": 3517, "tar_path": "SMARCA4_P51532.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA4_P51532_404_lig_smina_out.mol2", "protac_path": "3517_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCN3C=C(C4=CC(C5=CC=CC=C5O)=NN=C4N)C=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5783": {"pro_comp_id": 3518, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_404_lig_smina_out.mol2", "protac_path": "3518_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCN3C=C(C4=CC(C5=CC=CC=C5O)=NN=C4N)C=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5784": {"pro_comp_id": 3518, "tar_path": "SMARCA4_P51532.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA4_P51532_404_lig_smina_out.mol2", "protac_path": "3518_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCN3C=C(C4=CC(C5=CC=CC=C5O)=NN=C4N)C=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5785": {"pro_comp_id": 3519, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_404_lig_smina_out.mol2", "protac_path": "3519_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3C=C(C4=CC(C5=CC=CC=C5O)=NN=C4N)C=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5786": {"pro_comp_id": 3519, "tar_path": "SMARCA4_P51532.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA4_P51532_404_lig_smina_out.mol2", "protac_path": "3519_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3C=C(C4=CC(C5=CC=CC=C5O)=NN=C4N)C=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5787": {"pro_comp_id": 3520, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_404_lig_smina_out.mol2", "protac_path": "3520_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCN3C=C(C4=CC(C5=CC=CC=C5O)=NN=C4N)C=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5788": {"pro_comp_id": 3520, "tar_path": "SMARCA4_P51532.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA4_P51532_404_lig_smina_out.mol2", "protac_path": "3520_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCN3C=C(C4=CC(C5=CC=CC=C5O)=NN=C4N)C=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5789": {"pro_comp_id": 3521, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_404_lig_smina_out.mol2", "protac_path": "3521_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCN3C=C(C4=CC(C5=CC=CC=C5O)=NN=C4N)C=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5790": {"pro_comp_id": 3521, "tar_path": "SMARCA4_P51532.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA4_P51532_404_lig_smina_out.mol2", "protac_path": "3521_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCN3C=C(C4=CC(C5=CC=CC=C5O)=NN=C4N)C=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5791": {"pro_comp_id": 3522, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_404_lig_smina_out.mol2", "protac_path": "3522_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCN3C=C(C4=CC(C5=CC=CC=C5O)=NN=C4N)C=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5792": {"pro_comp_id": 3522, "tar_path": "SMARCA4_P51532.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA4_P51532_404_lig_smina_out.mol2", "protac_path": "3522_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCN3C=C(C4=CC(C5=CC=CC=C5O)=NN=C4N)C=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5793": {"pro_comp_id": 3523, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_404_lig_smina_out.mol2", "protac_path": "3523_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCN3C=C(C4=CC(C5=CC=CC=C5O)=NN=C4N)C=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5794": {"pro_comp_id": 3523, "tar_path": "SMARCA4_P51532.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA4_P51532_404_lig_smina_out.mol2", "protac_path": "3523_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCN3C=C(C4=CC(C5=CC=CC=C5O)=NN=C4N)C=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5795": {"pro_comp_id": 3524, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_404_lig_smina_out.mol2", "protac_path": "3524_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCN3C=C(C4=CC(C5=CC=CC=C5O)=NN=C4N)C=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5796": {"pro_comp_id": 3524, "tar_path": "SMARCA4_P51532.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA4_P51532_404_lig_smina_out.mol2", "protac_path": "3524_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCN3C=C(C4=CC(C5=CC=CC=C5O)=NN=C4N)C=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5797": {"pro_comp_id": 3525, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_404_lig_smina_out.mol2", "protac_path": "3525_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCN3C=C(C4=CC(C5=CC=CC=C5O)=NN=C4N)C=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5798": {"pro_comp_id": 3525, "tar_path": "SMARCA4_P51532.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA4_P51532_404_lig_smina_out.mol2", "protac_path": "3525_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCN3C=C(C4=CC(C5=CC=CC=C5O)=NN=C4N)C=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5799": {"pro_comp_id": 3526, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_24_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_404_lig_smina_out.mol2", "protac_path": "3526_protac.mol2", "smiles": "CC1=NOC([C@@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)NCCCCCCN2C=C(C3=CC(C4=CC=CC=C4O)=NN=C3N)C=N2)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1", "label": -1}, "5800": {"pro_comp_id": 3526, "tar_path": "SMARCA4_P51532.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_24_lig_smina_out.mol2", "war_path": "SMARCA4_P51532_404_lig_smina_out.mol2", "protac_path": "3526_protac.mol2", "smiles": "CC1=NOC([C@@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)NCCCCCCN2C=C(C3=CC(C4=CC=CC=C4O)=NN=C3N)C=N2)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1", "label": -1}, "5801": {"pro_comp_id": 3527, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_24_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_404_lig_smina_out.mol2", "protac_path": "3527_protac.mol2", "smiles": "CC1=NOC([C@@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)NCCCCCCCN2C=C(C3=CC(C4=CC=CC=C4O)=NN=C3N)C=N2)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1", "label": -1}, "5802": {"pro_comp_id": 3527, "tar_path": "SMARCA4_P51532.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_24_lig_smina_out.mol2", "war_path": "SMARCA4_P51532_404_lig_smina_out.mol2", "protac_path": "3527_protac.mol2", "smiles": "CC1=NOC([C@@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)NCCCCCCCN2C=C(C3=CC(C4=CC=CC=C4O)=NN=C3N)C=N2)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1", "label": -1}, "5803": {"pro_comp_id": 3528, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_24_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_404_lig_smina_out.mol2", "protac_path": "3528_protac.mol2", "smiles": "CC1=NOC([C@@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)NCCCCCCCCN2C=C(C3=CC(C4=CC=CC=C4O)=NN=C3N)C=N2)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1", "label": -1}, "5804": {"pro_comp_id": 3528, "tar_path": "SMARCA4_P51532.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_24_lig_smina_out.mol2", "war_path": "SMARCA4_P51532_404_lig_smina_out.mol2", "protac_path": "3528_protac.mol2", "smiles": "CC1=NOC([C@@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)NCCCCCCCCN2C=C(C3=CC(C4=CC=CC=C4O)=NN=C3N)C=N2)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1", "label": -1}, "5805": {"pro_comp_id": 3529, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_24_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_404_lig_smina_out.mol2", "protac_path": "3529_protac.mol2", "smiles": "CC1=NOC([C@@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)NCCCCCCCCCN2C=C(C3=CC(C4=CC=CC=C4O)=NN=C3N)C=N2)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1", "label": -1}, "5806": {"pro_comp_id": 3529, "tar_path": "SMARCA4_P51532.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_24_lig_smina_out.mol2", "war_path": "SMARCA4_P51532_404_lig_smina_out.mol2", "protac_path": "3529_protac.mol2", "smiles": "CC1=NOC([C@@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)NCCCCCCCCCN2C=C(C3=CC(C4=CC=CC=C4O)=NN=C3N)C=N2)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1", "label": -1}, "5807": {"pro_comp_id": 3530, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_24_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_404_lig_smina_out.mol2", "protac_path": "3530_protac.mol2", "smiles": "CC1=NOC([C@@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)NCCCCCCCCCCN2C=C(C3=CC(C4=CC=CC=C4O)=NN=C3N)C=N2)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1", "label": -1}, "5808": {"pro_comp_id": 3530, "tar_path": "SMARCA4_P51532.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_24_lig_smina_out.mol2", "war_path": "SMARCA4_P51532_404_lig_smina_out.mol2", "protac_path": "3530_protac.mol2", "smiles": "CC1=NOC([C@@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)NCCCCCCCCCCN2C=C(C3=CC(C4=CC=CC=C4O)=NN=C3N)C=N2)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1", "label": -1}, "5809": {"pro_comp_id": 3531, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_24_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_404_lig_smina_out.mol2", "protac_path": "3531_protac.mol2", "smiles": "CC1=NOC([C@@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)NCCCCCCCCCCCCN2C=C(C3=CC(C4=CC=CC=C4O)=NN=C3N)C=N2)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1", "label": -1}, "5810": {"pro_comp_id": 3531, "tar_path": "SMARCA4_P51532.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_24_lig_smina_out.mol2", "war_path": "SMARCA4_P51532_404_lig_smina_out.mol2", "protac_path": "3531_protac.mol2", "smiles": "CC1=NOC([C@@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)NCCCCCCCCCCCCN2C=C(C3=CC(C4=CC=CC=C4O)=NN=C3N)C=N2)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1", "label": -1}, "5811": {"pro_comp_id": 3532, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_404_lig_smina_out.mol2", "protac_path": "3532_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCN3C=C(C4=CC(C5=CC=CC=C5O)=NN=C4N)C=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5812": {"pro_comp_id": 3532, "tar_path": "SMARCA4_P51532.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA4_P51532_404_lig_smina_out.mol2", "protac_path": "3532_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCN3C=C(C4=CC(C5=CC=CC=C5O)=NN=C4N)C=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5813": {"pro_comp_id": 3533, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_404_lig_smina_out.mol2", "protac_path": "3533_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCN3C=C(C4=CC(C5=CC=CC=C5O)=NN=C4N)C=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5814": {"pro_comp_id": 3533, "tar_path": "SMARCA4_P51532.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA4_P51532_404_lig_smina_out.mol2", "protac_path": "3533_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCN3C=C(C4=CC(C5=CC=CC=C5O)=NN=C4N)C=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5815": {"pro_comp_id": 3534, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_404_lig_smina_out.mol2", "protac_path": "3534_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCN3CCN(CCCN4C=C(C5=CC(C6=CC=CC=C6O)=NN=C5N)C=N4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5816": {"pro_comp_id": 3534, "tar_path": "SMARCA4_P51532.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA4_P51532_404_lig_smina_out.mol2", "protac_path": "3534_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCN3CCN(CCCN4C=C(C5=CC(C6=CC=CC=C6O)=NN=C5N)C=N4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5817": {"pro_comp_id": 3535, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_404_lig_smina_out.mol2", "protac_path": "3535_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCN3CCC(CCCN4C=C(C5=CC(C6=CC=CC=C6O)=NN=C5N)C=N4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5818": {"pro_comp_id": 3535, "tar_path": "SMARCA4_P51532.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA4_P51532_404_lig_smina_out.mol2", "protac_path": "3535_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCN3CCC(CCCN4C=C(C5=CC(C6=CC=CC=C6O)=NN=C5N)C=N4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5819": {"pro_comp_id": 3536, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_404_lig_smina_out.mol2", "protac_path": "3536_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3CCC(N4C=C(C5=CC(C6=CC=CC=C6O)=NN=C5N)C=N4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5820": {"pro_comp_id": 3536, "tar_path": "SMARCA4_P51532.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA4_P51532_404_lig_smina_out.mol2", "protac_path": "3536_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3CCC(N4C=C(C5=CC(C6=CC=CC=C6O)=NN=C5N)C=N4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5821": {"pro_comp_id": 3537, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_404_lig_smina_out.mol2", "protac_path": "3537_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)[C@H]3CC[C@H](CN4CC5(CCC(N6C=C(C7=CC(C8=CC=CC=C8O)=NN=C7N)C=N6)CC5)C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5822": {"pro_comp_id": 3537, "tar_path": "SMARCA4_P51532.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA4_P51532_404_lig_smina_out.mol2", "protac_path": "3537_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)[C@H]3CC[C@H](CN4CC5(CCC(N6C=C(C7=CC(C8=CC=CC=C8O)=NN=C7N)C=N6)CC5)C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5823": {"pro_comp_id": 3538, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_404_lig_smina_out.mol2", "protac_path": "3538_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)[C@H]3CC[C@H](CN4CCC5(CCC(N6C=C(C7=CC(C8=CC=CC=C8O)=NN=C7N)C=N6)CC5)CC4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5824": {"pro_comp_id": 3538, "tar_path": "SMARCA4_P51532.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA4_P51532_404_lig_smina_out.mol2", "protac_path": "3538_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)[C@H]3CC[C@H](CN4CCC5(CCC(N6C=C(C7=CC(C8=CC=CC=C8O)=NN=C7N)C=N6)CC5)CC4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5825": {"pro_comp_id": 3539, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_404_lig_smina_out.mol2", "protac_path": "3539_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3CCC(N4CC5(CCC(N6C=C(C7=CC(C8=CC=CC=C8O)=NN=C7N)C=N6)CC5)C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5826": {"pro_comp_id": 3539, "tar_path": "SMARCA4_P51532.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA4_P51532_404_lig_smina_out.mol2", "protac_path": "3539_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3CCC(N4CC5(CCC(N6C=C(C7=CC(C8=CC=CC=C8O)=NN=C7N)C=N6)CC5)C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5827": {"pro_comp_id": 3540, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_404_lig_smina_out.mol2", "protac_path": "3540_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3CCC(N4CCC5(CCC(N6C=C(C7=CC(C8=CC=CC=C8O)=NN=C7N)C=N6)CC5)CC4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5828": {"pro_comp_id": 3540, "tar_path": "SMARCA4_P51532.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA4_P51532_404_lig_smina_out.mol2", "protac_path": "3540_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3CCC(N4CCC5(CCC(N6C=C(C7=CC(C8=CC=CC=C8O)=NN=C7N)C=N6)CC5)CC4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5829": {"pro_comp_id": 3541, "tar_path": "S100A4_P26447.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "S100A4_P26447_405_lig_smina_out.mol2", "protac_path": "3541_protac.mol2", "smiles": "CC1=CC(C(=O)NCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=CC=C1N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O", "label": -1}, "5830": {"pro_comp_id": 3542, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_E41K_Q06187_24_lig_smina_out.mol2", "protac_path": "3542_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(C(=O)CN2CCN(CCOCC(=O)NC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)CC1", "label": -1}, "5831": {"pro_comp_id": 3543, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_E41K_Q06187_24_lig_smina_out.mol2", "protac_path": "3543_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(C(=O)CN2CCN(CCOCCOCC(=O)NC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)CC1", "label": -1}, "5832": {"pro_comp_id": 3544, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_E41K_Q06187_24_lig_smina_out.mol2", "protac_path": "3544_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(C(=O)CCCN2CCN(CCOCC(=O)NC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)CC1", "label": -1}, "5833": {"pro_comp_id": 3545, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_E41K_Q06187_24_lig_smina_out.mol2", "protac_path": "3545_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(C(=O)CCCN2CCN(CCOCCOCC(=O)NC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)CC1", "label": -1}, "5834": {"pro_comp_id": 3546, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_E41K_Q06187_24_lig_smina_out.mol2", "protac_path": "3546_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(C(=O)CCCN2CCN(C(=O)CCC(=O)NC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)CC1", "label": -1}, "5835": {"pro_comp_id": 3547, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_E41K_Q06187_24_lig_smina_out.mol2", "protac_path": "3547_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(C(=O)CN2CCN(C(=O)CCC(=O)NC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)CC1", "label": -1}, "5836": {"pro_comp_id": 3548, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_E41K_Q06187_24_lig_smina_out.mol2", "protac_path": "3548_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(C(=O)CN2CCN(C(=O)CCCC(=O)NC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)CC1", "label": -1}, "5837": {"pro_comp_id": 3549, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_E41K_Q06187_24_lig_smina_out.mol2", "protac_path": "3549_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(C(=O)CN2CCN(CC#CC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)CC1", "label": -1}, "5838": {"pro_comp_id": 3550, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_E41K_Q06187_24_lig_smina_out.mol2", "protac_path": "3550_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCCN(C(=O)CN2CCC(CN3CCN(CC#CC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)CC2)C1", "label": -1}, "5839": {"pro_comp_id": 3550, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_E41K_Q06187_24_lig_smina_out.mol2", "protac_path": "3550_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(C(=O)CN2CCC(N3CCN(CC#CC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)CC2)CC1", "label": -1}, "5840": {"pro_comp_id": 3552, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_E41K_Q06187_24_lig_smina_out.mol2", "protac_path": "3552_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(C(=O)C2=CC=C(N3CCN(CC#CC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)N=C2)CC1", "label": -1}, "5841": {"pro_comp_id": 3553, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_E41K_Q06187_24_lig_smina_out.mol2", "protac_path": "3553_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(CC2=CC=C(C#CC3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)N=C2)CC1", "label": -1}, "5842": {"pro_comp_id": 3554, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_E41K_Q06187_24_lig_smina_out.mol2", "protac_path": "3554_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(C(=O)C2=CC=C(N3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)N=C2)CC1", "label": -1}, "5843": {"pro_comp_id": 3555, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_E41K_Q06187_24_lig_smina_out.mol2", "protac_path": "3555_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(C(=O)CN2CCN(CC3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)CC2)CC1", "label": -1}, "5844": {"pro_comp_id": 3556, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_E41K_Q06187_24_lig_smina_out.mol2", "protac_path": "3556_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(C(=O)CN2CCN(CC3CN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C3)CC2)CC1", "label": -1}, "5845": {"pro_comp_id": 3557, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_E41K_Q06187_24_lig_smina_out.mol2", "protac_path": "3557_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(CC2CN(CC3CN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C3)C2)CC1", "label": -1}, "5846": {"pro_comp_id": 3558, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_E41K_Q06187_24_lig_smina_out.mol2", "protac_path": "3558_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(C(=O)CN2CCN(CC3CCN(C4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)CC1", "label": -1}, "5847": {"pro_comp_id": 3559, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_E41K_Q06187_24_lig_smina_out.mol2", "protac_path": "3559_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(C(=O)CN2CCN(CC3CN(C4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)CC2)CC1", "label": -1}, "5848": {"pro_comp_id": 3560, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_E41K_Q06187_24_lig_smina_out.mol2", "protac_path": "3560_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(CC2CN(CC3CCN(C4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C2)CC1", "label": -1}, "5849": {"pro_comp_id": 3561, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_E41K_Q06187_24_lig_smina_out.mol2", "protac_path": "3561_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(CC2CN(CC3CN(C4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)C2)CC1", "label": -1}, "5850": {"pro_comp_id": 3562, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_E41K_Q06187_24_lig_smina_out.mol2", "protac_path": "3562_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(CC2=CC=C(C#CC3CCN(C4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)N=C2)CC1", "label": -1}, "5851": {"pro_comp_id": 3563, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_E41K_Q06187_24_lig_smina_out.mol2", "protac_path": "3563_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(CC2CCN(C3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1", "label": -1}, "5852": {"pro_comp_id": 3564, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_E41K_Q06187_24_lig_smina_out.mol2", "protac_path": "3564_protac.mol2", "smiles": "NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(CC2CN(C3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)CC1", "label": -1}, "5853": {"pro_comp_id": 3565, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_264_lig_smina_out.mol2", "protac_path": "3565_protac.mol2", "smiles": "O=C(CCCCCCNC(=O)C1=CC=C(NC(=O)CCCCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)NO", "label": -1}, "5854": {"pro_comp_id": 3565, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_264_lig_smina_out.mol2", "protac_path": "3565_protac.mol2", "smiles": "O=C(CCCCCCNC(=O)C1=CC=C(NC(=O)CCCCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)NO", "label": -1}, "5855": {"pro_comp_id": 3565, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_264_lig_smina_out.mol2", "protac_path": "3565_protac.mol2", "smiles": "O=C(CCCCCCNC(=O)C1=CC=C(NC(=O)CCCCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)NO", "label": -1}, "5856": {"pro_comp_id": 3566, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_71_lig_smina_out.mol2", "protac_path": "3566_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(OCCCCCN4C=C(CCCCN5CCC(NC(=O)C6=C(NC(=O)C7=C(Cl)C=CC=C7Cl)C=N[NH]6)CC5)N=N4)=C3C2=O)C(=O)N1", "label": -1}, "5857": {"pro_comp_id": 3567, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_71_lig_smina_out.mol2", "protac_path": "3567_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(OCCCCN4C=C(CCCCN5CCC(NC(=O)C6=C(NC(=O)C7=C(Cl)C=CC=C7Cl)C=N[NH]6)CC5)N=N4)=C3C2=O)C(=O)N1", "label": -1}, "5858": {"pro_comp_id": 3568, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_71_lig_smina_out.mol2", "protac_path": "3568_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(OCCCCN4C=C(CCCCCN5CCC(NC(=O)C6=C(NC(=O)C7=C(Cl)C=CC=C7Cl)C=N[NH]6)CC5)N=N4)=C3C2=O)C(=O)N1", "label": -1}, "5859": {"pro_comp_id": 3569, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_71_lig_smina_out.mol2", "protac_path": "3569_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(OCCCCCCCCN4C=C(CCN5CCC(NC(=O)C6=C(NC(=O)C7=C(Cl)C=CC=C7Cl)C=N[NH]6)CC5)N=N4)=C3C2=O)C(=O)N1", "label": -1}, "5860": {"pro_comp_id": 3570, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_71_lig_smina_out.mol2", "protac_path": "3570_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(OCCCCCN4C=C(CCCCCN5CCC(NC(=O)C6=C(NC(=O)C7=C(Cl)C=CC=C7Cl)C=N[NH]6)CC5)N=N4)=C3C2=O)C(=O)N1", "label": -1}, "5861": {"pro_comp_id": 3571, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_71_lig_smina_out.mol2", "protac_path": "3571_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(OCCCCN4C=C(CCCCCCN5CCC(NC(=O)C6=C(NC(=O)C7=C(Cl)C=CC=C7Cl)C=N[NH]6)CC5)N=N4)=C3C2=O)C(=O)N1", "label": -1}, "5862": {"pro_comp_id": 3572, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_71_lig_smina_out.mol2", "protac_path": "3572_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(OCCCCCCCCN4C=C(CCCCCCN5CCC(NC(=O)C6=C(NC(=O)C7=C(Cl)C=CC=C7Cl)C=N[NH]6)CC5)N=N4)=C3C2=O)C(=O)N1", "label": -1}, "5863": {"pro_comp_id": 3573, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_71_lig_smina_out.mol2", "protac_path": "3573_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(OCCCCCCCN4C=C(CCCCCCCN5CCC(NC(=O)C6=C(NC(=O)C7=C(Cl)C=CC=C7Cl)C=N[NH]6)CC5)N=N4)=C3C2=O)C(=O)N1", "label": -1}, "5864": {"pro_comp_id": 3574, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_71_lig_smina_out.mol2", "protac_path": "3574_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(OCCCCN4C=C(CCCCCCCCCCN5CCC(NC(=O)C6=C(NC(=O)C7=C(Cl)C=CC=C7Cl)C=N[NH]6)CC5)N=N4)=C3C2=O)C(=O)N1", "label": -1}, "5865": {"pro_comp_id": 3575, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_71_lig_smina_out.mol2", "protac_path": "3575_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(OCCCCCCCN4C=C(CCCCCN5CCC(NC(=O)C6=C(NC(=O)C7=C(Cl)C=CC=C7Cl)C=N[NH]6)CC5)N=N4)=C3C2=O)C(=O)N1", "label": -1}, "5866": {"pro_comp_id": 3576, "tar_path": "VHL_P40337.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "VHL_P40337_110_lig_smina_out.mol2", "protac_path": "3576_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCNC(=O)C3=CN(CCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C(=O)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5867": {"pro_comp_id": 3577, "tar_path": "VHL_P40337.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "VHL_P40337_110_lig_smina_out.mol2", "protac_path": "3577_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCNC(=O)C3=CN(CCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C(=O)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5868": {"pro_comp_id": 3578, "tar_path": "VHL_P40337.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "VHL_P40337_110_lig_smina_out.mol2", "protac_path": "3578_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C3=CN(CCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C(=O)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5869": {"pro_comp_id": 3579, "tar_path": "VHL_P40337.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "VHL_P40337_110_lig_smina_out.mol2", "protac_path": "3579_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCNC(=O)C3=CN(CCOCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C(=O)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5875": {"pro_comp_id": 3585, "tar_path": "TG2_P21980.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "TG2_P21980_406_lig_smina_out.mol2", "protac_path": "3585_protac.mol2", "smiles": "CC1=CC(N(C)CCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC(NC2=CC=C(NC(=O)CC3=CC=CC=C3)C=C2)=N1", "label": -1}, "5876": {"pro_comp_id": 3586, "tar_path": "TG2_P21980.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "TG2_P21980_406_lig_smina_out.mol2", "protac_path": "3586_protac.mol2", "smiles": "CC1=CC(N(C)CCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC(NC2=CC=C(NC(=O)CC3=CC=CC=C3)C=C2)=N1", "label": -1}, "5877": {"pro_comp_id": 3587, "tar_path": "TG2_P21980.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "TG2_P21980_406_lig_smina_out.mol2", "protac_path": "3587_protac.mol2", "smiles": "CC1=CC(N(C)CCOCCOCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC(NC2=CC=C(NC(=O)CC3=CC=CC=C3)C=C2)=N1", "label": -1}, "5878": {"pro_comp_id": 3588, "tar_path": "TG2_P21980.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "TG2_P21980_406_lig_smina_out.mol2", "protac_path": "3588_protac.mol2", "smiles": "CC1=CC(N(C)CCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC(NC2=CC=C(NC(=O)CC3=CC=CC=C3)C=C2)=N1", "label": -1}, "5879": {"pro_comp_id": 3589, "tar_path": "TG2_P21980.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "TG2_P21980_406_lig_smina_out.mol2", "protac_path": "3589_protac.mol2", "smiles": "CC1=CC(N(C)CCOCCOCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC(NC2=CC=C(NC(=O)CC3=CC=CC=C3)C=C2)=N1", "label": -1}, "5880": {"pro_comp_id": 3590, "tar_path": "TG2_P21980.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "TG2_P21980_406_lig_smina_out.mol2", "protac_path": "3590_protac.mol2", "smiles": "CC1=CC(N(C)CCOCCOCCOCCOCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC(NC2=CC=C(NC(=O)CC3=CC=CC=C3)C=C2)=N1", "label": -1}, "5881": {"pro_comp_id": 3591, "tar_path": "TG2_P21980.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "TG2_P21980_406_lig_smina_out.mol2", "protac_path": "3591_protac.mol2", "smiles": "CC1=CC(N(C)CCOCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=NC(NC2=CC=C(NC(=O)CC3=CC=CC=C3)C=C2)=N1", "label": -1}, "5882": {"pro_comp_id": 3592, "tar_path": "TG2_P21980.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "TG2_P21980_406_lig_smina_out.mol2", "protac_path": "3592_protac.mol2", "smiles": "CC1=CC(N(C)CCOCCOCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=NC(NC2=CC=C(NC(=O)CC3=CC=CC=C3)C=C2)=N1", "label": -1}, "5883": {"pro_comp_id": 3593, "tar_path": "TG2_P21980.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "TG2_P21980_406_lig_smina_out.mol2", "protac_path": "3593_protac.mol2", "smiles": "CC1=CC(N(C)CCOCCOCCOCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=NC(NC2=CC=C(NC(=O)CC3=CC=CC=C3)C=C2)=N1", "label": -1}, "5884": {"pro_comp_id": 3594, "tar_path": "TG2_P21980.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "TG2_P21980_406_lig_smina_out.mol2", "protac_path": "3594_protac.mol2", "smiles": "CC1=CC(N(C)CCOCCOCCOCCOCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=NC(NC2=CC=C(NC(=O)CC3=CC=CC=C3)C=C2)=N1", "label": -1}, "5885": {"pro_comp_id": 3595, "tar_path": "TG2_P21980.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "TG2_P21980_406_lig_smina_out.mol2", "protac_path": "3595_protac.mol2", "smiles": "CC1=CC(N(C)CCOCCOCCOCCOCCOCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=NC(NC2=CC=C(NC(=O)CC3=CC=CC=C3)C=C2)=N1", "label": -1}, "5886": {"pro_comp_id": 3596, "tar_path": "HSP90alpha_P07900.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HSP90alpha_P07900_407_lig_smina_out.mol2", "protac_path": "3596_protac.mol2", "smiles": "CO[C@H]1/C=C\\C=C(/C)C(=O)/N=C2/CC(=O)C(NCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@@H]1OC(N)=O)C2=O", "label": -1}, "5887": {"pro_comp_id": 3596, "tar_path": "HSP90beta_P08238.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HSP90beta_P08238_407_lig_smina_out.mol2", "protac_path": "3596_protac.mol2", "smiles": "CO[C@H]1/C=C\\C=C(/C)C(=O)/N=C2/CC(=O)C(NCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@@H]1OC(N)=O)C2=O", "label": -1}, "5888": {"pro_comp_id": 3597, "tar_path": "HSP90alpha_P07900.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HSP90alpha_P07900_407_lig_smina_out.mol2", "protac_path": "3597_protac.mol2", "smiles": "CO[C@H]1/C=C\\C=C(/C)C(=O)NC2=CC(=O)C(NCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@@H]1OC(N)=O)C2=O", "label": -1}, "5889": {"pro_comp_id": 3597, "tar_path": "HSP90beta_P08238.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HSP90beta_P08238_407_lig_smina_out.mol2", "protac_path": "3597_protac.mol2", "smiles": "CO[C@H]1/C=C\\C=C(/C)C(=O)NC2=CC(=O)C(NCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@@H]1OC(N)=O)C2=O", "label": -1}, "5890": {"pro_comp_id": 3598, "tar_path": "HSP90alpha_P07900.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HSP90alpha_P07900_407_lig_smina_out.mol2", "protac_path": "3598_protac.mol2", "smiles": "CO[C@H]1/C=C\\C=C(/C)C(=O)NC2=CC(=O)C(NCCCOCCCCOCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@@H]1OC(N)=O)C2=O", "label": -1}, "5891": {"pro_comp_id": 3598, "tar_path": "HSP90beta_P08238.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HSP90beta_P08238_407_lig_smina_out.mol2", "protac_path": "3598_protac.mol2", "smiles": "CO[C@H]1/C=C\\C=C(/C)C(=O)NC2=CC(=O)C(NCCCOCCCCOCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@@H]1OC(N)=O)C2=O", "label": -1}, "5892": {"pro_comp_id": 3599, "tar_path": "HSP90alpha_P07900.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HSP90alpha_P07900_407_lig_smina_out.mol2", "protac_path": "3599_protac.mol2", "smiles": "CO[C@H]1/C=C\\C=C(/C)C(=O)NC2=CC(=O)C(NCCCOCCOCCOCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@@H]1OC(N)=O)C2=O", "label": -1}, "5893": {"pro_comp_id": 3599, "tar_path": "HSP90beta_P08238.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HSP90beta_P08238_407_lig_smina_out.mol2", "protac_path": "3599_protac.mol2", "smiles": "CO[C@H]1/C=C\\C=C(/C)C(=O)NC2=CC(=O)C(NCCCOCCOCCOCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@@H]1OC(N)=O)C2=O", "label": -1}, "5894": {"pro_comp_id": 3600, "tar_path": "HSP90alpha_P07900.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HSP90alpha_P07900_407_lig_smina_out.mol2", "protac_path": "3600_protac.mol2", "smiles": "CO[C@H]1/C=C\\C=C(/C)C(=O)NC2=CC(=O)C(NCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@@H]1OC(N)=O)C2=O", "label": -1}, "5895": {"pro_comp_id": 3600, "tar_path": "HSP90beta_P08238.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HSP90beta_P08238_407_lig_smina_out.mol2", "protac_path": "3600_protac.mol2", "smiles": "CO[C@H]1/C=C\\C=C(/C)C(=O)NC2=CC(=O)C(NCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@@H]1OC(N)=O)C2=O", "label": -1}, "5896": {"pro_comp_id": 3601, "tar_path": "HSP90alpha_P07900.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HSP90alpha_P07900_407_lig_smina_out.mol2", "protac_path": "3601_protac.mol2", "smiles": "CO[C@H]1/C=C\\C=C(/C)C(=O)NC2=CC(=O)C(NCCCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@@H]1OC(N)=O)C2=O", "label": -1}, "5897": {"pro_comp_id": 3601, "tar_path": "HSP90beta_P08238.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HSP90beta_P08238_407_lig_smina_out.mol2", "protac_path": "3601_protac.mol2", "smiles": "CO[C@H]1/C=C\\C=C(/C)C(=O)NC2=CC(=O)C(NCCCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@@H]1OC(N)=O)C2=O", "label": -1}, "5898": {"pro_comp_id": 3602, "tar_path": "HSP90alpha_P07900.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HSP90alpha_P07900_407_lig_smina_out.mol2", "protac_path": "3602_protac.mol2", "smiles": "CO[C@H]1/C=C\\C=C(/C)C(=O)NC2=CC(=O)C(NCCCCCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@@H]1OC(N)=O)C2=O", "label": -1}, "5899": {"pro_comp_id": 3602, "tar_path": "HSP90beta_P08238.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HSP90beta_P08238_407_lig_smina_out.mol2", "protac_path": "3602_protac.mol2", "smiles": "CO[C@H]1/C=C\\C=C(/C)C(=O)NC2=CC(=O)C(NCCCCCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@@H]1OC(N)=O)C2=O", "label": -1}, "5900": {"pro_comp_id": 3603, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_94_lig_smina_out.mol2", "protac_path": "3603_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3=CC=NC(N4CCN(C5=CC(C6=CC=CC=C6O)=NN=C5N)CC4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5901": {"pro_comp_id": 3604, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_94_lig_smina_out.mol2", "protac_path": "3604_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3=CC=CC(N4CCN(C5=CC(C6=CC=CC=C6O)=NN=C5N)CC4)=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5902": {"pro_comp_id": 3605, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_94_lig_smina_out.mol2", "protac_path": "3605_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3=CC=C(N4CCN(C5=CC(C6=CC=CC=C6O)=NN=C5N)CC4)N=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5903": {"pro_comp_id": 3606, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_94_lig_smina_out.mol2", "protac_path": "3606_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3=CC=CC(N4CCN(C5=CC(C6=CC=CC=C6O)=NN=C5N)CC4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5904": {"pro_comp_id": 3607, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_94_lig_smina_out.mol2", "protac_path": "3607_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3=CSC(N4CCN(C5=CC(C6=CC=CC=C6O)=NN=C5N)CC4)=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5905": {"pro_comp_id": 3608, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_94_lig_smina_out.mol2", "protac_path": "3608_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CC3=CC=NC(N4CCN(C5=CC(C6=CC=CC=C6O)=NN=C5N)CC4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5906": {"pro_comp_id": 3609, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_94_lig_smina_out.mol2", "protac_path": "3609_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCC3=CC=NC(N4CCN(C5=CC(C6=CC=CC=C6O)=NN=C5N)CC4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5907": {"pro_comp_id": 3610, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_94_lig_smina_out.mol2", "protac_path": "3610_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3=CC=CC(N4CCN(C5=NC(C6=CC=CC=C6O)=NN=C5N)CC4)=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5908": {"pro_comp_id": 3611, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_94_lig_smina_out.mol2", "protac_path": "3611_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3=CC=NC(N4CCN(C5=CN=NC(C6=CC=CC=C6O)=C5)CC4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "5909": {"pro_comp_id": 3612, "tar_path": "c-Met_P08581.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "c-Met_P08581_408_lig_smina_out.mol2", "protac_path": "3612_protac.mol2", "smiles": "N#CC1=CC=CC(C2=NN(CC3=CC=CC(C4=NC=C(OCC5CCN(CCC(=O)NC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=N4)=C3)C(=O)C=C2)=C1", "label": -1}, "5910": {"pro_comp_id": 3613, "tar_path": "c-Met_P08581.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "c-Met_P08581_408_lig_smina_out.mol2", "protac_path": "3613_protac.mol2", "smiles": "N#CC1=CC=CC(C2=NN(CC3=CC=CC(C4=NC=C(OCC5CCN(CCCC(=O)NC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=N4)=C3)C(=O)C=C2)=C1", "label": -1}, "5911": {"pro_comp_id": 3614, "tar_path": "c-Met_P08581.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "c-Met_P08581_408_lig_smina_out.mol2", "protac_path": "3614_protac.mol2", "smiles": "N#CC1=CC=CC(C2=NN(CC3=CC=CC(C4=NC=C(OCC5CCN(CCCCC(=O)NC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=N4)=C3)C(=O)C=C2)=C1", "label": -1}, "5912": {"pro_comp_id": 3615, "tar_path": "c-Met_P08581.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "c-Met_P08581_408_lig_smina_out.mol2", "protac_path": "3615_protac.mol2", "smiles": "N#CC1=CC=CC(C2=NN(CC3=CC=CC(C4=NC=C(OCC5CCN(CCCCCC(=O)NC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=N4)=C3)C(=O)C=C2)=C1", "label": -1}, "5913": {"pro_comp_id": 3616, "tar_path": "c-Met_P08581.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "c-Met_P08581_408_lig_smina_out.mol2", "protac_path": "3616_protac.mol2", "smiles": "N#CC1=CC=CC(C2=NN(CC3=CC=CC(C4=NC=C(OCC5CCN(CCCCCCC(=O)NC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=N4)=C3)C(=O)C=C2)=C1", "label": -1}, "5914": {"pro_comp_id": 3617, "tar_path": "c-Met_P08581.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "c-Met_P08581_408_lig_smina_out.mol2", "protac_path": "3617_protac.mol2", "smiles": "N#CC1=CC=CC(C2=NN(CC3=CC=CC(C4=NC=C(OCC5CCN(CCCCCCCC(=O)NC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=N4)=C3)C(=O)C=C2)=C1", "label": -1}, "5915": {"pro_comp_id": 3618, "tar_path": "c-Met_P08581.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "c-Met_P08581_408_lig_smina_out.mol2", "protac_path": "3618_protac.mol2", "smiles": "N#CC1=CC=CC(C2=NN(CC3=CC=CC(C4=NC=C(OCC5CCN(CCCCCCCCC(=O)NC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=N4)=C3)C(=O)C=C2)=C1", "label": -1}, "5916": {"pro_comp_id": 3619, "tar_path": "c-Met_P08581.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "c-Met_P08581_408_lig_smina_out.mol2", "protac_path": "3619_protac.mol2", "smiles": "N#CC1=CC=CC(C2=NN(CC3=CC=CC(C4=NC=C(OCC5CCN(CCCCCCCCCC(=O)NC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=N4)=C3)C(=O)C=C2)=C1", "label": -1}, "5917": {"pro_comp_id": 3620, "tar_path": "c-Met_P08581.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "c-Met_P08581_408_lig_smina_out.mol2", "protac_path": "3620_protac.mol2", "smiles": "N#CC1=CC=CC(C2=NN(CC3=CC=CC(C4=NC=C(OCC5CCN(CCCCC(=O)NC6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)C=N4)=C3)C(=O)C=C2)=C1", "label": -1}, "5918": {"pro_comp_id": 3621, "tar_path": "c-Met_P08581.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "c-Met_P08581_408_lig_smina_out.mol2", "protac_path": "3621_protac.mol2", "smiles": "N#CC1=CC=CC(C2=NN(CC3=CC=CC(C4=NC=C(OCC5CCN(CC(=O)NCCOCCNC6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)C=N4)=C3)C(=O)C=C2)=C1", "label": -1}, "5919": {"pro_comp_id": 3622, "tar_path": "c-Met_P08581.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "c-Met_P08581_408_lig_smina_out.mol2", "protac_path": "3622_protac.mol2", "smiles": "N#CC1=CC=CC(C2=NN(CC3=CC=CC(C4=NC=C(OCC5CCN(CC(=O)NCCOCCOCCNC6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)C=N4)=C3)C(=O)C=C2)=C1", "label": -1}, "5920": {"pro_comp_id": 3623, "tar_path": "c-Met_P08581.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "c-Met_P08581_408_lig_smina_out.mol2", "protac_path": "3623_protac.mol2", "smiles": "N#CC1=CC=CC(C2=NN(CC3=CC=CC(C4=NC=C(OCC5CCN(CC(=O)NCCOCCOCCOCCNC6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)C=N4)=C3)C(=O)C=C2)=C1", "label": -1}, "5921": {"pro_comp_id": 3624, "tar_path": "c-Met_P08581.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "c-Met_P08581_408_lig_smina_out.mol2", "protac_path": "3624_protac.mol2", "smiles": "N#CC1=CC=CC(C2=NN(CC3=CC=CC(C4=NC=C(OCC5CCN(CC(=O)NCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=N4)=C3)C(=O)C=C2)=C1", "label": -1}, "5922": {"pro_comp_id": 3625, "tar_path": "c-Met_P08581.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "c-Met_P08581_408_lig_smina_out.mol2", "protac_path": "3625_protac.mol2", "smiles": "N#CC1=CC=CC(C2=NN(CC3=CC=CC(C4=NC=C(OCC5CCN(CC(=O)N6CCN(CCNC7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)CC6)CC5)C=N4)=C3)C(=O)C=C2)=C1", "label": -1}, "5923": {"pro_comp_id": 3626, "tar_path": "c-Met_P08581.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "c-Met_P08581_408_lig_smina_out.mol2", "protac_path": "3626_protac.mol2", "smiles": "N#CC1=CC=CC(C2=NN(CC3=CC=CC(C4=NC=C(OCC5CCN(CC(=O)N6CCN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)CC6)CC5)C=N4)=C3)C(=O)C=C2)=C1", "label": -1}, "5924": {"pro_comp_id": 3627, "tar_path": "GSPT1_P15170.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "GSPT1_P15170_409_lig_smina_out.mol2", "protac_path": "3627_protac.mol2", "smiles": "CC1=CC=C(NC(=O)CCC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)CC3=C2)C=C1Cl", "label": -1}, "5925": {"pro_comp_id": 3628, "tar_path": "GSPT1_P15170.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GSPT1_P15170_409_lig_smina_out.mol2", "protac_path": "3628_protac.mol2", "smiles": "CC1=CC=C(NC(=O)CCC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)C=C1Cl", "label": -1}, "5926": {"pro_comp_id": 3629, "tar_path": "GSPT1_P15170.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "GSPT1_P15170_409_lig_smina_out.mol2", "protac_path": "3629_protac.mol2", "smiles": "CC1=CC=C(NC(=O)CCC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C=C1Cl", "label": -1}, "5927": {"pro_comp_id": 3630, "tar_path": "GSPT1_P15170.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "GSPT1_P15170_409_lig_smina_out.mol2", "protac_path": "3630_protac.mol2", "smiles": "CC1=CC=C(NC(=O)CCC2=CC=C3CN(C4CCC(=O)NC4=O)C(=O)C3=C2)C=C1Cl", "label": -1}, "5928": {"pro_comp_id": 3631, "tar_path": "GSPT1_P15170.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "GSPT1_P15170_409_lig_smina_out.mol2", "protac_path": "3631_protac.mol2", "smiles": "CC1=CC=C(NC(=O)CNC2=CC=C3CN(C4CCC(=O)NC4=O)C(=O)C3=C2)C=C1Cl", "label": -1}, "5929": {"pro_comp_id": 3632, "tar_path": "GSPT1_P15170.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "GSPT1_P15170_409_lig_smina_out.mol2", "protac_path": "3632_protac.mol2", "smiles": "CC1=CC=C(NC(=O)COC2=CC=C3CN(C4CCC(=O)NC4=O)C(=O)C3=C2)C=C1Cl", "label": -1}, "5930": {"pro_comp_id": 3633, "tar_path": "GSPT1_P15170.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "GSPT1_P15170_409_lig_smina_out.mol2", "protac_path": "3633_protac.mol2", "smiles": "CC1=CC=C(NC(=O)/C=C/C2=CC=C3CN(C4CCC(=O)NC4=O)C(=O)C3=C2)C=C1Cl", "label": -1}, "5931": {"pro_comp_id": 3634, "tar_path": "GSPT1_P15170.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "GSPT1_P15170_409_lig_smina_out.mol2", "protac_path": "3634_protac.mol2", "smiles": "CC1=CC=C(NC(=O)CC(C)C2=CC=C3CN(C4CCC(=O)NC4=O)C(=O)C3=C2)C=C1Cl", "label": -1}, "5932": {"pro_comp_id": 3635, "tar_path": "GSPT1_P15170.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "GSPT1_P15170_409_lig_smina_out.mol2", "protac_path": "3635_protac.mol2", "smiles": "CC1=CC=C(NC(=O)C(C)CC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)CC3=C2)C=C1Cl", "label": -1}, "5933": {"pro_comp_id": 3636, "tar_path": "GSPT1_P15170.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "GSPT1_P15170_409_lig_smina_out.mol2", "protac_path": "3636_protac.mol2", "smiles": "CC1=C(Cl)C=C(NC(=O)CCC2=CC=C3CN(C4CCC(=O)NC4=O)C(=O)C3=C2)C=C1CN1CCN(C)CC1", "label": -1}, "5934": {"pro_comp_id": 3637, "tar_path": "GSPT1_P15170.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "GSPT1_P15170_409_lig_smina_out.mol2", "protac_path": "3637_protac.mol2", "smiles": "CC1=C(Cl)C=C(NC(=O)CCC2=CC=C3CN(C4CCC(=O)NC4=O)C(=O)C3=C2)C=C1CN1CCOCC1", "label": -1}, "5935": {"pro_comp_id": 3638, "tar_path": "GSPT1_P15170.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "GSPT1_P15170_409_lig_smina_out.mol2", "protac_path": "3638_protac.mol2", "smiles": "CC1=C(Cl)C=C(NC(=O)CCC2=CC=C3CN(C4CCC(=O)NC4=O)C(=O)C3=C2)C=C1CN1CCN(C2CCOCC2)CC1", "label": -1}, "5936": {"pro_comp_id": 3639, "tar_path": "GSPT1_P15170.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "GSPT1_P15170_409_lig_smina_out.mol2", "protac_path": "3639_protac.mol2", "smiles": "CC1=C(Cl)C=C(NC(=O)CCC2=CC=C3CN(C4CCC(=O)NC4=O)C(=O)C3=C2)C=C1CN1CCC(N2CCOCC2)CC1", "label": -1}, "5937": {"pro_comp_id": 3640, "tar_path": "GSPT1_P15170.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "GSPT1_P15170_409_lig_smina_out.mol2", "protac_path": "3640_protac.mol2", "smiles": "CC1=C(Cl)C=C(NC(=O)CCC2=CC=C3CN(C4CCC(=O)NC4=O)C(=O)C3=C2)C=C1CN1CCN(C2COC2)CC1", "label": -1}, "5938": {"pro_comp_id": 3641, "tar_path": "GSPT1_P15170.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "GSPT1_P15170_409_lig_smina_out.mol2", "protac_path": "3641_protac.mol2", "smiles": "CC1=C(Cl)C=C(NC(=O)CCC2=CC=C3CN(C4CCC(=O)NC4=O)C(=O)C3=C2)C=C1CN1CC(N2CCOCC2)C1", "label": -1}, "5939": {"pro_comp_id": 3642, "tar_path": "GSPT1_P15170.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "GSPT1_P15170_409_lig_smina_out.mol2", "protac_path": "3642_protac.mol2", "smiles": "CC1=C(Cl)C=C(NC(=O)CCC2=CC=C3CN(C4CCC(=O)NC4=O)C(=O)C3=C2)C=C1CN1CC2(COC2)C1", "label": -1}, "5940": {"pro_comp_id": 3643, "tar_path": "GSPT1_P15170.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "GSPT1_P15170_409_lig_smina_out.mol2", "protac_path": "3643_protac.mol2", "smiles": "COCCN(C)CC1=CC(NC(=O)CCC2=CC=C3CN(C4CCC(=O)NC4=O)C(=O)C3=C2)=CC(Cl)=C1C", "label": -1}, "5941": {"pro_comp_id": 3644, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_125_lig_smina_out.mol2", "protac_path": "3644_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN(C)CC(=O)NCCOCCOCCNC1=CC=C(OC)C2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "5942": {"pro_comp_id": 3645, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD2_P25440_410_lig_smina_out.mol2", "protac_path": "3645_protac.mol2", "smiles": "COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C3=CC=CC=C3OC)C2)C1C1=CC=CC(OCC2=CN(CCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N2)=C1", "label": -1}, "5943": {"pro_comp_id": 3645, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD3_Q15059_410_lig_smina_out.mol2", "protac_path": "3645_protac.mol2", "smiles": "COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C3=CC=CC=C3OC)C2)C1C1=CC=CC(OCC2=CN(CCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N2)=C1", "label": -1}, "5944": {"pro_comp_id": 3645, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_410_lig_smina_out.mol2", "protac_path": "3645_protac.mol2", "smiles": "COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C3=CC=CC=C3OC)C2)C1C1=CC=CC(OCC2=CN(CCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N2)=C1", "label": -1}, "5945": {"pro_comp_id": 3646, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD2_P25440_410_lig_smina_out.mol2", "protac_path": "3646_protac.mol2", "smiles": "COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C3=CC=CC=C3OC)C2)C1C1=CC=CC(OCC2=CN(CCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N2)=C1", "label": -1}, "5946": {"pro_comp_id": 3646, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD3_Q15059_410_lig_smina_out.mol2", "protac_path": "3646_protac.mol2", "smiles": "COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C3=CC=CC=C3OC)C2)C1C1=CC=CC(OCC2=CN(CCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N2)=C1", "label": -1}, "5947": {"pro_comp_id": 3646, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_410_lig_smina_out.mol2", "protac_path": "3646_protac.mol2", "smiles": "COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C3=CC=CC=C3OC)C2)C1C1=CC=CC(OCC2=CN(CCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N2)=C1", "label": -1}, "5948": {"pro_comp_id": 3647, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD2_P25440_410_lig_smina_out.mol2", "protac_path": "3647_protac.mol2", "smiles": "COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C3=CC=CC=C3OC)C2)C1C1=CC=CC(OCC2=CN(CCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N2)=C1", "label": -1}, "5949": {"pro_comp_id": 3647, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD3_Q15059_410_lig_smina_out.mol2", "protac_path": "3647_protac.mol2", "smiles": "COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C3=CC=CC=C3OC)C2)C1C1=CC=CC(OCC2=CN(CCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N2)=C1", "label": -1}, "5950": {"pro_comp_id": 3647, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_410_lig_smina_out.mol2", "protac_path": "3647_protac.mol2", "smiles": "COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C3=CC=CC=C3OC)C2)C1C1=CC=CC(OCC2=CN(CCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N2)=C1", "label": -1}, "5951": {"pro_comp_id": 3648, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD2_P25440_410_lig_smina_out.mol2", "protac_path": "3648_protac.mol2", "smiles": "COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C3=CC=CC=C3OC)C2)C1C1=CC=CC(OCCOCCOCCOCC2=CN(CCOCCOCC(=O)N[C@@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N2)=C1", "label": -1}, "5952": {"pro_comp_id": 3648, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD3_Q15059_410_lig_smina_out.mol2", "protac_path": "3648_protac.mol2", "smiles": "COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C3=CC=CC=C3OC)C2)C1C1=CC=CC(OCCOCCOCCOCC2=CN(CCOCCOCC(=O)N[C@@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N2)=C1", "label": -1}, "5953": {"pro_comp_id": 3648, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_410_lig_smina_out.mol2", "protac_path": "3648_protac.mol2", "smiles": "COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C3=CC=CC=C3OC)C2)C1C1=CC=CC(OCCOCCOCCOCC2=CN(CCOCCOCC(=O)N[C@@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N2)=C1", "label": -1}, "5954": {"pro_comp_id": 3649, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD2_P25440_410_lig_smina_out.mol2", "protac_path": "3649_protac.mol2", "smiles": "COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C3=CC=CC=C3OC)C2)C1C1=CC=CC(OCCOCCOCCOC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=C1", "label": -1}, "5955": {"pro_comp_id": 3649, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD3_Q15059_410_lig_smina_out.mol2", "protac_path": "3649_protac.mol2", "smiles": "COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C3=CC=CC=C3OC)C2)C1C1=CC=CC(OCCOCCOCCOC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=C1", "label": -1}, "5956": {"pro_comp_id": 3649, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_410_lig_smina_out.mol2", "protac_path": "3649_protac.mol2", "smiles": "COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C3=CC=CC=C3OC)C2)C1C1=CC=CC(OCCOCCOCCOC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=C1", "label": -1}, "5957": {"pro_comp_id": 3650, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD2_P25440_410_lig_smina_out.mol2", "protac_path": "3650_protac.mol2", "smiles": "COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C3=CC=CC=C3OC)C2)C1C1=CC=CC(OCCOCCOCCOCCOC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=C1", "label": -1}, "5958": {"pro_comp_id": 3650, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD3_Q15059_410_lig_smina_out.mol2", "protac_path": "3650_protac.mol2", "smiles": "COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C3=CC=CC=C3OC)C2)C1C1=CC=CC(OCCOCCOCCOCCOC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=C1", "label": -1}, "5959": {"pro_comp_id": 3650, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_410_lig_smina_out.mol2", "protac_path": "3650_protac.mol2", "smiles": "COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C3=CC=CC=C3OC)C2)C1C1=CC=CC(OCCOCCOCCOCCOC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=C1", "label": -1}, "5960": {"pro_comp_id": 3651, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD2_P25440_410_lig_smina_out.mol2", "protac_path": "3651_protac.mol2", "smiles": "COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C3=CC=CC=C3OC)C2)C1C1=CC=CC(OCC2=CN(CCCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)=C1", "label": -1}, "5961": {"pro_comp_id": 3651, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD3_Q15059_410_lig_smina_out.mol2", "protac_path": "3651_protac.mol2", "smiles": "COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C3=CC=CC=C3OC)C2)C1C1=CC=CC(OCC2=CN(CCCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)=C1", "label": -1}, "5962": {"pro_comp_id": 3651, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_410_lig_smina_out.mol2", "protac_path": "3651_protac.mol2", "smiles": "COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C3=CC=CC=C3OC)C2)C1C1=CC=CC(OCC2=CN(CCCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)=C1", "label": -1}, "5963": {"pro_comp_id": 3652, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD2_P25440_410_lig_smina_out.mol2", "protac_path": "3652_protac.mol2", "smiles": "COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C3=CC=CC=C3OC)C2)C1C1=CC=CC(OCC2=CN(CCCCCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)=C1", "label": -1}, "5964": {"pro_comp_id": 3652, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD3_Q15059_410_lig_smina_out.mol2", "protac_path": "3652_protac.mol2", "smiles": "COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C3=CC=CC=C3OC)C2)C1C1=CC=CC(OCC2=CN(CCCCCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)=C1", "label": -1}, "5965": {"pro_comp_id": 3652, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_410_lig_smina_out.mol2", "protac_path": "3652_protac.mol2", "smiles": "COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C3=CC=CC=C3OC)C2)C1C1=CC=CC(OCC2=CN(CCCCCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)=C1", "label": -1}, "5966": {"pro_comp_id": 3653, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD2_P25440_410_lig_smina_out.mol2", "protac_path": "3653_protac.mol2", "smiles": "COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C3=CC=CC=C3OC)C2)C1C1=CC=CC(OCC2=CN(CCCCCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)=C1", "label": -1}, "5967": {"pro_comp_id": 3653, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD3_Q15059_410_lig_smina_out.mol2", "protac_path": "3653_protac.mol2", "smiles": "COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C3=CC=CC=C3OC)C2)C1C1=CC=CC(OCC2=CN(CCCCCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)=C1", "label": -1}, "5968": {"pro_comp_id": 3653, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_410_lig_smina_out.mol2", "protac_path": "3653_protac.mol2", "smiles": "COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C3=CC=CC=C3OC)C2)C1C1=CC=CC(OCC2=CN(CCCCCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)=C1", "label": -1}, "5969": {"pro_comp_id": 3654, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD2_P25440_410_lig_smina_out.mol2", "protac_path": "3654_protac.mol2", "smiles": "COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C3=CC=CC=C3OC)C2)C1C1=CC=CC(OCC2=CN(CCOCCOCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)=C1", "label": -1}, "5970": {"pro_comp_id": 3654, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD3_Q15059_410_lig_smina_out.mol2", "protac_path": "3654_protac.mol2", "smiles": "COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C3=CC=CC=C3OC)C2)C1C1=CC=CC(OCC2=CN(CCOCCOCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)=C1", "label": -1}, "5971": {"pro_comp_id": 3654, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_410_lig_smina_out.mol2", "protac_path": "3654_protac.mol2", "smiles": "COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C3=CC=CC=C3OC)C2)C1C1=CC=CC(OCC2=CN(CCOCCOCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)=C1", "label": -1}, "5972": {"pro_comp_id": 3655, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD2_P25440_410_lig_smina_out.mol2", "protac_path": "3655_protac.mol2", "smiles": "COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C3=CC=CC=C3OC)C2)C1C1=CC=CC(OCC2=CN(CCOCCOCCOCCN3C=C(COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)N=N2)=C1", "label": -1}, "5973": {"pro_comp_id": 3655, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD3_Q15059_410_lig_smina_out.mol2", "protac_path": "3655_protac.mol2", "smiles": "COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C3=CC=CC=C3OC)C2)C1C1=CC=CC(OCC2=CN(CCOCCOCCOCCN3C=C(COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)N=N2)=C1", "label": -1}, "5974": {"pro_comp_id": 3655, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_410_lig_smina_out.mol2", "protac_path": "3655_protac.mol2", "smiles": "COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C3=CC=CC=C3OC)C2)C1C1=CC=CC(OCC2=CN(CCOCCOCCOCCN3C=C(COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)N=N2)=C1", "label": -1}, "5975": {"pro_comp_id": 3656, "tar_path": "KEAP1_Q14145.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "KEAP1_Q14145_411_lig_smina_out.mol2", "protac_path": "3656_protac.mol2", "smiles": "CC1(C)CC[C@]2(C(=O)NCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC[C@]3(C)C(C(=O)C=C4[C@@]3(C)CCC3C(C)(C)C(=O)C(C#N)=C[C@]43C)C2C1", "label": -1}, "5976": {"pro_comp_id": 3657, "tar_path": "KEAP1_Q14145.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "KEAP1_Q14145_411_lig_smina_out.mol2", "protac_path": "3657_protac.mol2", "smiles": "CC1(C)CC[C@]2(C(=O)NCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC[C@]3(C)C(C(=O)C=C4[C@@]3(C)CCC3C(C)(C)C(=O)C(C#N)=C[C@]43C)C2C1", "label": -1}, "5977": {"pro_comp_id": 3658, "tar_path": "KEAP1_Q14145.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "KEAP1_Q14145_411_lig_smina_out.mol2", "protac_path": "3658_protac.mol2", "smiles": "CC1(C)CC[C@]2(C(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC[C@]3(C)C(C(=O)C=C4[C@@]3(C)CCC3C(C)(C)C(=O)C(C#N)=C[C@]43C)C2C1", "label": -1}, "5978": {"pro_comp_id": 3659, "tar_path": "KEAP1_Q14145.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "KEAP1_Q14145_411_lig_smina_out.mol2", "protac_path": "3659_protac.mol2", "smiles": "CC1(C)CC[C@]2(C(=O)NCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC[C@]3(C)C(C(=O)C=C4[C@@]3(C)CCC3C(C)(C)C(=O)C(C#N)=C[C@]43C)C2C1", "label": -1}, "5979": {"pro_comp_id": 3660, "tar_path": "KEAP1_Q14145.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "KEAP1_Q14145_411_lig_smina_out.mol2", "protac_path": "3660_protac.mol2", "smiles": "CC1(C)CC[C@]2(C(=O)NCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC[C@]3(C)C(C(=O)C=C4[C@@]3(C)CCC3C(C)(C)C(=O)C(C#N)=C[C@]43C)C2C1", "label": -1}, "5980": {"pro_comp_id": 3661, "tar_path": "KEAP1_Q14145.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "KEAP1_Q14145_411_lig_smina_out.mol2", "protac_path": "3661_protac.mol2", "smiles": "CC1(C)CC[C@]2(C(=O)NCCCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC[C@]3(C)C(C(=O)C=C4[C@@]3(C)CCC3C(C)(C)C(=O)C(C#N)=C[C@]43C)C2C1", "label": -1}, "5981": {"pro_comp_id": 3662, "tar_path": "KEAP1_Q14145.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "KEAP1_Q14145_411_lig_smina_out.mol2", "protac_path": "3662_protac.mol2", "smiles": "CC1(C)CC[C@]2(C(=O)NCCCCCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC[C@]3(C)C(C(=O)C=C4[C@@]3(C)CCC3C(C)(C)C(=O)C(C#N)=C[C@]43C)C2C1", "label": -1}, "5982": {"pro_comp_id": 3663, "tar_path": "KEAP1_Q14145.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "KEAP1_Q14145_411_lig_smina_out.mol2", "protac_path": "3663_protac.mol2", "smiles": "CC1(C)CC[C@]2(C(=O)NCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC[C@]3(C)C(C(=O)C=C4[C@@]3(C)CCC3C(C)(C)C(=O)C(C#N)=C[C@]43C)C2C1", "label": -1}, "5983": {"pro_comp_id": 3664, "tar_path": "KEAP1_Q14145.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "KEAP1_Q14145_411_lig_smina_out.mol2", "protac_path": "3664_protac.mol2", "smiles": "CC1(C)CC[C@]2(C(=O)NCCOCCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC[C@]3(C)C(C(=O)C=C4[C@@]3(C)CCC3C(C)(C)C(=O)C(C#N)=C[C@]43C)C2C1", "label": -1}, "5984": {"pro_comp_id": 3665, "tar_path": "KEAP1_Q14145.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "KEAP1_Q14145_411_lig_smina_out.mol2", "protac_path": "3665_protac.mol2", "smiles": "CC1(C)CC[C@]2(C(=O)NCCOCCCOCCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC[C@]3(C)C(C(=O)C=C4[C@@]3(C)CCC3C(C)(C)C(=O)C(C#N)=C[C@]43C)C2C1", "label": -1}, "5985": {"pro_comp_id": 3666, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_412_lig_smina_out.mol2", "protac_path": "3666_protac.mol2", "smiles": "N#CC1=CC=C(N2CCC3(CCN(C(=O)C4=CC=C(N5CCN(CC6CCN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)CC6)CC5)C=C4)CC3)C2)C=C1Cl", "label": -1}, "5986": {"pro_comp_id": 3667, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_412_lig_smina_out.mol2", "protac_path": "3667_protac.mol2", "smiles": "N#CC1=CC=C(N2CCC3(CCN(C(=O)C4=CC=C(N5CCN(C6CCN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)CC6)CC5)C=C4)CC3)C2)C=C1Cl", "label": -1}, "5987": {"pro_comp_id": 3668, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_413_lig_smina_out.mol2", "protac_path": "3668_protac.mol2", "smiles": "N#CC1=CC=C(N2CCC3(CCN(C4=CC=C(C(=O)N5CCN(CC6CCN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)CC6)CC5)C=C4)CC3)C2)C=C1Cl", "label": -1}, "5988": {"pro_comp_id": 3669, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_413_lig_smina_out.mol2", "protac_path": "3669_protac.mol2", "smiles": "N#CC1=CC=C(N2CCC3(CCN(C4=CC=C(C(=O)N5CCN(C6CCN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)CC6)CC5)C=C4)CC3)C2)C=C1Cl", "label": -1}, "5989": {"pro_comp_id": 3670, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_413_lig_smina_out.mol2", "protac_path": "3670_protac.mol2", "smiles": "N#CC1=CC=C(N2CCC3(CCN(C4=CC=C(C(=O)N5CCC(N6CCN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)CC6)CC5)C=C4)CC3)C2)C=C1Cl", "label": -1}, "5990": {"pro_comp_id": 3671, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_413_lig_smina_out.mol2", "protac_path": "3671_protac.mol2", "smiles": "N#CC1=CC=C(N2CCC3(CCN(C4=CC=C(C(=O)N5CCCN(C6CCN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)CC6)CC5)C=C4)CC3)C2)C=C1Cl", "label": -1}, "5991": {"pro_comp_id": 3672, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_413_lig_smina_out.mol2", "protac_path": "3672_protac.mol2", "smiles": "N#CC1=CC=C(N2CCC3(CCN(C4=CC=C(C(=O)N5CCCN(C6CCN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)CC6)CCC5)C=C4)CC3)C2)C=C1Cl", "label": -1}, "5992": {"pro_comp_id": 3673, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_413_lig_smina_out.mol2", "protac_path": "3673_protac.mol2", "smiles": "N#CC1=CC=C(N2CCC3(CCN(C4=CC=C(C(=O)N5CC6CC(C5)CN(C5CCN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)CC5)C6)C=C4)CC3)C2)C=C1Cl", "label": -1}, "5993": {"pro_comp_id": 3674, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_413_lig_smina_out.mol2", "protac_path": "3674_protac.mol2", "smiles": "N#CC1=CC=C(N2CCC3(CCN(C4=CC=C(C(=O)N5CC6(C5)CN(C5CCN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)CC5)C6)C=C4)CC3)C2)C=C1Cl", "label": -1}, "5994": {"pro_comp_id": 3675, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_413_lig_smina_out.mol2", "protac_path": "3675_protac.mol2", "smiles": "N#CC1=CC=C(N2CCC3(CCN(C4=CC=C(C(=O)N5CCC6(C5)CN(C5CCN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)CC5)C6)C=C4)CC3)C2)C=C1Cl", "label": -1}, "5995": {"pro_comp_id": 3676, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_413_lig_smina_out.mol2", "protac_path": "3676_protac.mol2", "smiles": "N#CC1=CC=C(N2CCC3(CCN(C4=CC=C(C(=O)N5CCN(CC6CN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)C6)CC5)C=C4)CC3)C2)C=C1Cl", "label": -1}, "5996": {"pro_comp_id": 3677, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_413_lig_smina_out.mol2", "protac_path": "3677_protac.mol2", "smiles": "N#CC1=CC=C(N2CCC3(CCN(C4=CC=C(C(=O)N5CCN(C6CN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)C6)CC5)C=C4)CC3)C2)C=C1Cl", "label": -1}, "5997": {"pro_comp_id": 3678, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_413_lig_smina_out.mol2", "protac_path": "3678_protac.mol2", "smiles": "N#CC1=CC=C(N2CCC3(CCN(C4=CC=C(C(=O)N5CCCN(C6CN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)C6)CC5)C=C4)CC3)C2)C=C1Cl", "label": -1}, "5998": {"pro_comp_id": 3679, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_413_lig_smina_out.mol2", "protac_path": "3679_protac.mol2", "smiles": "N#CC1=CC=C(N2CCC3(CCN(C4=CC=C(C(=O)N5CC6(C5)CN(C5CN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)C5)C6)C=C4)CC3)C2)C=C1Cl", "label": -1}, "5999": {"pro_comp_id": 3680, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_413_lig_smina_out.mol2", "protac_path": "3680_protac.mol2", "smiles": "C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCN(C5CN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)C5)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1", "label": -1}, "6000": {"pro_comp_id": 3681, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_413_lig_smina_out.mol2", "protac_path": "3681_protac.mol2", "smiles": "C[C@@H]1CC2(CCN(C3=CC=C(C(=O)N4CCN(C5CN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)C5)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1", "label": -1}, "6001": {"pro_comp_id": 3682, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_413_lig_smina_out.mol2", "protac_path": "3682_protac.mol2", "smiles": "C[C@@H]1N(C2=CC=C(C#N)C(Cl)=C2)CCC12CCN(C1=CC=C(C(=O)N3CCN(C4CN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)C4)CC3)C=C1)CC2", "label": -1}, "6002": {"pro_comp_id": 3683, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_413_lig_smina_out.mol2", "protac_path": "3683_protac.mol2", "smiles": "C[C@H]1N(C2=CC=C(C#N)C(Cl)=C2)CCC12CCN(C1=CC=C(C(=O)N3CCN(C4CN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)C4)CC3)C=C1)CC2", "label": -1}, "6003": {"pro_comp_id": 3684, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_413_lig_smina_out.mol2", "protac_path": "3684_protac.mol2", "smiles": "C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCN(C5CN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)C5)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(C(F)(F)F)=C1", "label": -1}, "6004": {"pro_comp_id": 3685, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_413_lig_smina_out.mol2", "protac_path": "3685_protac.mol2", "smiles": "C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCN(C5CN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)C5)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(C(F)F)=C1", "label": -1}, "6005": {"pro_comp_id": 3686, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_413_lig_smina_out.mol2", "protac_path": "3686_protac.mol2", "smiles": "C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCN(C5CN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)C5)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(F)=C1", "label": -1}, "6006": {"pro_comp_id": 3687, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_413_lig_smina_out.mol2", "protac_path": "3687_protac.mol2", "smiles": "C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCN(C5CN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)C5)CC4)C=C3)CC2)CN1C1=CN=C(C#N)C(C(F)(F)F)=C1", "label": -1}, "6007": {"pro_comp_id": 3688, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_413_lig_smina_out.mol2", "protac_path": "3688_protac.mol2", "smiles": "C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCN(CC5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1", "label": -1}, "6008": {"pro_comp_id": 3689, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_413_lig_smina_out.mol2", "protac_path": "3689_protac.mol2", "smiles": "C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCN(C5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1", "label": -1}, "6009": {"pro_comp_id": 3690, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_413_lig_smina_out.mol2", "protac_path": "3690_protac.mol2", "smiles": "C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCC(CN5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1", "label": -1}, "6010": {"pro_comp_id": 3691, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_413_lig_smina_out.mol2", "protac_path": "3691_protac.mol2", "smiles": "C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCC(N5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1", "label": -1}, "6011": {"pro_comp_id": 3692, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_413_lig_smina_out.mol2", "protac_path": "3692_protac.mol2", "smiles": "C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CC5(C4)CN(C4=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C4)C5)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1", "label": -1}, "6012": {"pro_comp_id": 3693, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_413_lig_smina_out.mol2", "protac_path": "3693_protac.mol2", "smiles": "C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCN(CC5CN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)C5)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1", "label": -1}, "6013": {"pro_comp_id": 3694, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_413_lig_smina_out.mol2", "protac_path": "3694_protac.mol2", "smiles": "C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4C[C@@H]5C[C@H]4CN5C4CN(C5=CC6=C(C=C5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1", "label": -1}, "6014": {"pro_comp_id": 3695, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_413_lig_smina_out.mol2", "protac_path": "3695_protac.mol2", "smiles": "C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4C[C@H]5C[C@@H]4CN5C4CN(C5=CC6=C(C=C5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1", "label": -1}, "6015": {"pro_comp_id": 3696, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_413_lig_smina_out.mol2", "protac_path": "3696_protac.mol2", "smiles": "C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCC(C5CN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)C5)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1", "label": -1}, "6016": {"pro_comp_id": 3697, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_413_lig_smina_out.mol2", "protac_path": "3697_protac.mol2", "smiles": "C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCN(C5(C#N)CN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)C5)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1", "label": -1}, "6017": {"pro_comp_id": 3698, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AR_P10275_413_lig_smina_out.mol2", "protac_path": "3698_protac.mol2", "smiles": "C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CC(N5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)C4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1", "label": -1}, "6018": {"pro_comp_id": 3699, "tar_path": "HK2_P52789.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HK2_P52789_414_lig_smina_out.mol2", "protac_path": "3699_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCNC(=O)C1=NN(CC2=CC=C(Cl)C=C2Cl)C2=CC=CC=C12", "label": -1}, "6019": {"pro_comp_id": 3700, "tar_path": "HK2_P52789.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HK2_P52789_414_lig_smina_out.mol2", "protac_path": "3700_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCNC(=O)C1=NN(CC2=CC=C(Cl)C=C2Cl)C2=CC=CC=C12", "label": -1}, "6020": {"pro_comp_id": 3701, "tar_path": "HK2_P52789.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HK2_P52789_414_lig_smina_out.mol2", "protac_path": "3701_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCNC(=O)C1=NN(CC2=CC=C(Cl)C=C2Cl)C2=CC=CC=C12", "label": -1}, "6021": {"pro_comp_id": 3702, "tar_path": "HK2_P52789.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HK2_P52789_414_lig_smina_out.mol2", "protac_path": "3702_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCCNC(=O)C1=NN(CC2=CC=C(Cl)C=C2Cl)C2=CC=CC=C12", "label": -1}, "6022": {"pro_comp_id": 3703, "tar_path": "HK2_P52789.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HK2_P52789_414_lig_smina_out.mol2", "protac_path": "3703_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOCCOCCNC(=O)C1=NN(CC2=CC=C(Cl)C=C2Cl)C2=CC=CC=C12", "label": -1}, "6023": {"pro_comp_id": 3704, "tar_path": "HK2_P52789.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HK2_P52789_414_lig_smina_out.mol2", "protac_path": "3704_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCNC(=O)C1=NN(CC2=CC=C(Cl)C=C2Cl)C2=CC=CC=C12", "label": -1}, "6024": {"pro_comp_id": 3705, "tar_path": "HK2_P52789.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HK2_P52789_414_lig_smina_out.mol2", "protac_path": "3705_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(OCC(=O)N4CCN(C(=O)C5=NN(CC6=CC=C(Cl)C=C6Cl)C6=CC=CC=C56)CC4)=C3C2=O)C(=O)N1", "label": -1}, "6025": {"pro_comp_id": 3706, "tar_path": "HK2_P52789.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HK2_P52789_414_lig_smina_out.mol2", "protac_path": "3706_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(OCCNC(=O)C4=NN(CC5=CC=C(Cl)C=C5Cl)C5=CC=CC=C45)=C3C2=O)C(=O)N1", "label": -1}, "6026": {"pro_comp_id": 3707, "tar_path": "HK2_P52789.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HK2_P52789_414_lig_smina_out.mol2", "protac_path": "3707_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(OCCCNC(=O)C4=NN(CC5=CC=C(Cl)C=C5Cl)C5=CC=CC=C45)=C3C2=O)C(=O)N1", "label": -1}, "6027": {"pro_comp_id": 3708, "tar_path": "HK2_P52789.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HK2_P52789_414_lig_smina_out.mol2", "protac_path": "3708_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCNC(=O)C4=NN(CC5=CC=C(Cl)C=C5Cl)C5=CC=CC=C45)=C3C2=O)C(=O)N1", "label": -1}, "6028": {"pro_comp_id": 3709, "tar_path": "HK2_P52789.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HK2_P52789_414_lig_smina_out.mol2", "protac_path": "3709_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCNC(=O)C4=NN(CC5=CC=C(Cl)C=C5Cl)C5=CC=CC=C45)=C3C2=O)C(=O)N1", "label": -1}, "6029": {"pro_comp_id": 3710, "tar_path": "HK2_P52789.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HK2_P52789_414_lig_smina_out.mol2", "protac_path": "3710_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCNC(=O)C4=NN(CC5=CC=C(Cl)C=C5Cl)C5=CC=CC=C45)=C3C2=O)C(=O)N1", "label": -1}, "6030": {"pro_comp_id": 3711, "tar_path": "HK2_P52789.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HK2_P52789_414_lig_smina_out.mol2", "protac_path": "3711_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCCNC(=O)C4=NN(CC5=CC=C(Cl)C=C5Cl)C5=CC=CC=C45)=C3C2=O)C(=O)N1", "label": -1}, "6031": {"pro_comp_id": 3712, "tar_path": "HK2_P52789.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HK2_P52789_414_lig_smina_out.mol2", "protac_path": "3712_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCNC(=O)C4=NN(CC5=CC=C(Cl)C=C5Cl)C5=CC=CC=C45)=C3C2=O)C(=O)N1", "label": -1}, "6032": {"pro_comp_id": 3713, "tar_path": "HK2_P52789.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HK2_P52789_414_lig_smina_out.mol2", "protac_path": "3713_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCNC(=O)C4=NN(CC5=CC=C(Cl)C=C5Cl)C5=CC=CC=C45)=C3C2=O)C(=O)N1", "label": -1}, "6033": {"pro_comp_id": 3714, "tar_path": "HK2_P52789.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HK2_P52789_414_lig_smina_out.mol2", "protac_path": "3714_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCOC(=O)C4=NN(CC5=CC=C(Cl)C=C5Cl)C5=CC=CC=C45)=C3C2=O)C(=O)N1", "label": -1}, "6034": {"pro_comp_id": 3715, "tar_path": "HK2_P52789.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HK2_P52789_414_lig_smina_out.mol2", "protac_path": "3715_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCOC(=O)C4=NN(CC5=CC=C(Cl)C=C5Cl)C5=CC=CC=C45)=C3C2=O)C(=O)N1", "label": -1}, "6035": {"pro_comp_id": 3716, "tar_path": "HK2_P52789.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HK2_P52789_414_lig_smina_out.mol2", "protac_path": "3716_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCOC(=O)C4=NN(CC5=CC=C(Cl)C=C5Cl)C5=CC=CC=C45)=C3C2=O)C(=O)N1", "label": -1}, "6036": {"pro_comp_id": 3717, "tar_path": "HK2_P52789.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HK2_P52789_414_lig_smina_out.mol2", "protac_path": "3717_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCOC(=O)C4=NN(CC5=CC=C(Cl)C=C5Cl)C5=CC=CC=C45)=C3C2=O)C(=O)N1", "label": -1}, "6037": {"pro_comp_id": 3718, "tar_path": "HK2_P52789.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HK2_P52789_414_lig_smina_out.mol2", "protac_path": "3718_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOC(=O)C4=NN(CC5=CC=C(Cl)C=C5Cl)C5=CC=CC=C45)=C3C2=O)C(=O)N1", "label": -1}, "6038": {"pro_comp_id": 3719, "tar_path": "HK2_P52789.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HK2_P52789_414_lig_smina_out.mol2", "protac_path": "3719_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOC(=O)C4=NN(CC5=CC=C(Cl)C=C5Cl)C5=CC=CC=C45)=C3C2=O)C(=O)N1", "label": -1}, "6039": {"pro_comp_id": 3720, "tar_path": "HK2_P52789.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HK2_P52789_414_lig_smina_out.mol2", "protac_path": "3720_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOC(=O)C4=NN(CC5=CC=C(Cl)C=C5Cl)C5=CC=CC=C45)=C3C2=O)C(=O)N1", "label": -1}, "6040": {"pro_comp_id": 3721, "tar_path": "HK2_P52789.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HK2_P52789_414_lig_smina_out.mol2", "protac_path": "3721_protac.mol2", "smiles": "CC(CCOC(=O)C1=NN(CC2=CC=C(Cl)C=C2Cl)C2=CC=CC=C12)NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "6041": {"pro_comp_id": 3722, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_415_lig_smina_out.mol2", "protac_path": "3722_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCNC(=O)C3=CC=C(C(=O)N4CCC(CCCCNC(=O)/C=C/C5=CC=CN=C5)CC4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6042": {"pro_comp_id": 3723, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_415_lig_smina_out.mol2", "protac_path": "3723_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCNC(=O)C3=CC=C(C(=O)N4CCC(CCCCNC(=O)/C=C/C5=CC=CN=C5)CC4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6043": {"pro_comp_id": 3724, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_415_lig_smina_out.mol2", "protac_path": "3724_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCNC(=O)C3=CC=C(C(=O)N4CCC(CCCCNC(=O)/C=C/C5=CC=CN=C5)CC4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6044": {"pro_comp_id": 3725, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_415_lig_smina_out.mol2", "protac_path": "3725_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCNC(=O)C3=CC=C(C(=O)N4CCC(CCCCNC(=O)/C=C/C5=CC=CN=C5)CC4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6045": {"pro_comp_id": 3726, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_415_lig_smina_out.mol2", "protac_path": "3726_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCNC(=O)C3=CC=C(C(=O)N4CCC(CCCCNC(=O)/C=C/C5=CC=CN=C5)CC4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6046": {"pro_comp_id": 3727, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_415_lig_smina_out.mol2", "protac_path": "3727_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCNC(=O)C3=CC=C(C(=O)N4CCC(CCCCNC(=O)/C=C/C5=CC=CN=C5)CC4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6047": {"pro_comp_id": 3728, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_415_lig_smina_out.mol2", "protac_path": "3728_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCNC(=O)C3=CC=C(C(=O)N4CCC(CCCCNC(=O)/C=C/C5=CC=CN=C5)CC4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6048": {"pro_comp_id": 3729, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_415_lig_smina_out.mol2", "protac_path": "3729_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNC(=O)C3=CC=C(C(=O)N4CCC(CCCCNC(=O)/C=C/C5=CC=CN=C5)CC4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6049": {"pro_comp_id": 3730, "tar_path": "KEAP1_Q14145.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "KEAP1_Q14145_416_lig_smina_out.mol2", "protac_path": "3730_protac.mol2", "smiles": "CC1=CC=C(C(CC(=O)O)C2=CC(OCCCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C3C(=C2)N=NN3C)C=C1CN1C[C@@H](C)OC2=CC=CC=C2S1(=O)=O", "label": -1}, "6050": {"pro_comp_id": 3731, "tar_path": "KEAP1_Q14145.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_58_lig_smina_out.mol2", "war_path": "KEAP1_Q14145_416_lig_smina_out.mol2", "protac_path": "3731_protac.mol2", "smiles": "CC1=CC=C(C(CC(=O)O)C2=CC(OCCCCCCCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)=C3C(=C2)N=NN3C)C=C1CN1C[C@@H](C)OC2=CC=CC=C2S1(=O)=O", "label": -1}, "6051": {"pro_comp_id": 3732, "tar_path": "KEAP1_Q14145.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "KEAP1_Q14145_416_lig_smina_out.mol2", "protac_path": "3732_protac.mol2", "smiles": "CC1=CC=C(C(CC(=O)O)C2=CC(OCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C3C(=C2)N=NN3C)C=C1CN1C[C@@H](C)OC2=CC=CC=C2S1(=O)=O", "label": -1}, "6052": {"pro_comp_id": 3733, "tar_path": "Alpha-syn_P37840.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Alpha-syn_P37840_417_lig_smina_out.mol2", "protac_path": "3733_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCNC4=CC=C(C5=CC(C6=CC=CC(Br)=C6)=N[NH]5)C=C4)=C3C2=O)C(=O)N1", "label": -1}, "6053": {"pro_comp_id": 3734, "tar_path": "Alpha-syn_P37840.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Alpha-syn_P37840_417_lig_smina_out.mol2", "protac_path": "3734_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCNC4=CC=C(C5=CC(C6=CC=CC(Br)=C6)=N[NH]5)C=C4)=C3C2=O)C(=O)N1", "label": -1}, "6054": {"pro_comp_id": 3735, "tar_path": "Alpha-syn_P37840.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Alpha-syn_P37840_417_lig_smina_out.mol2", "protac_path": "3735_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCNC4=CC=C(C5=CC(C6=CC=CC(Br)=C6)=N[NH]5)C=C4)=C3C2=O)C(=O)N1", "label": -1}, "6055": {"pro_comp_id": 3736, "tar_path": "Alpha-syn_P37840.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_38_lig_smina_out.mol2", "war_path": "Alpha-syn_P37840_417_lig_smina_out.mol2", "protac_path": "3736_protac.mol2", "smiles": "CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CC1=CC=CC=C1)C(=O)NCCOCCOCCNC1=CC=C(C2=CC(C3=CC=CC(Br)=C3)=N[NH]2)C=C1", "label": -1}, "6056": {"pro_comp_id": 3737, "tar_path": "Alpha-syn_P37840.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_38_lig_smina_out.mol2", "war_path": "Alpha-syn_P37840_417_lig_smina_out.mol2", "protac_path": "3737_protac.mol2", "smiles": "CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CC1=CC=CC=C1)C(=O)NCCOCCOCCOCCNC1=CC=C(C2=CC(C3=CC=CC(Br)=C3)=N[NH]2)C=C1", "label": -1}, "6057": {"pro_comp_id": 3738, "tar_path": "Alpha-syn_P37840.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_38_lig_smina_out.mol2", "war_path": "Alpha-syn_P37840_417_lig_smina_out.mol2", "protac_path": "3738_protac.mol2", "smiles": "CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CC1=CC=CC=C1)C(=O)NCCCCCCNC1=CC=C(C2=CC(C3=CC=CC(Br)=C3)=N[NH]2)C=C1", "label": -1}, "6058": {"pro_comp_id": 3739, "tar_path": "Alpha-syn_P37840.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "Alpha-syn_P37840_417_lig_smina_out.mol2", "protac_path": "3739_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCOCCOCCOCCNC3=CC=C(C4=CC(C5=CC=CC(Br)=C5)=N[NH]4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6059": {"pro_comp_id": 3740, "tar_path": "Alpha-syn_P37840.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "Alpha-syn_P37840_417_lig_smina_out.mol2", "protac_path": "3740_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCOCCOCCNC3=CC=C(C4=CC(C5=CC=CC(Br)=C5)=N[NH]4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6060": {"pro_comp_id": 3741, "tar_path": "Alpha-syn_P37840.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "Alpha-syn_P37840_417_lig_smina_out.mol2", "protac_path": "3741_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCNC3=CC=C(C4=CC(C5=CC=CC(Br)=C5)=N[NH]4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6061": {"pro_comp_id": 3742, "tar_path": "USP7_Q93009.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "USP7_Q93009_418_lig_smina_out.mol2", "protac_path": "3742_protac.mol2", "smiles": "O=C1CCC(N2CC3=C(CCCCCN4CCN(CCC(=O)NC5=CC=C6C(=O)N(CC7(O)CCN(C(=O)C(CCCNC(=O)C8=CC=C9C(Cl)=C%10CCCCC%10=NC9=C8)CC8=CC=CC=C8)CC7)C=NC6=C5)CC4)C=CC=C3C2=O)C(=O)N1", "label": -1}, "6062": {"pro_comp_id": 3743, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD2_P25440_200_lig_smina_out.mol2", "protac_path": "3743_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(CC5CN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "6063": {"pro_comp_id": 3743, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD3_Q15059_200_lig_smina_out.mol2", "protac_path": "3743_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(CC5CN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "6064": {"pro_comp_id": 3743, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_200_lig_smina_out.mol2", "protac_path": "3743_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(CC5CN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "6065": {"pro_comp_id": 3744, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD2_P25440_200_lig_smina_out.mol2", "protac_path": "3744_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5CCN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "6066": {"pro_comp_id": 3744, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD3_Q15059_200_lig_smina_out.mol2", "protac_path": "3744_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5CCN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "6067": {"pro_comp_id": 3744, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_200_lig_smina_out.mol2", "protac_path": "3744_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5CCN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "6068": {"pro_comp_id": 3745, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD2_P25440_200_lig_smina_out.mol2", "protac_path": "3745_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5CN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "6069": {"pro_comp_id": 3745, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD2_P25440_200_lig_smina_out.mol2", "protac_path": "3745_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5CN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "6070": {"pro_comp_id": 3745, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD2_P25440_200_lig_smina_out.mol2", "protac_path": "3745_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5CN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "6071": {"pro_comp_id": 3745, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD3_Q15059_200_lig_smina_out.mol2", "protac_path": "3745_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5CN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "6072": {"pro_comp_id": 3745, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD3_Q15059_200_lig_smina_out.mol2", "protac_path": "3745_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5CN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "6073": {"pro_comp_id": 3745, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD3_Q15059_200_lig_smina_out.mol2", "protac_path": "3745_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5CN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "6074": {"pro_comp_id": 3745, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_200_lig_smina_out.mol2", "protac_path": "3745_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5CN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "6075": {"pro_comp_id": 3745, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_200_lig_smina_out.mol2", "protac_path": "3745_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5CN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "6076": {"pro_comp_id": 3745, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_200_lig_smina_out.mol2", "protac_path": "3745_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5CN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "6077": {"pro_comp_id": 3745, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD2_P25440_200_lig_smina_out.mol2", "protac_path": "3745_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5CN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "6078": {"pro_comp_id": 3745, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD2_P25440_200_lig_smina_out.mol2", "protac_path": "3745_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5CN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "6079": {"pro_comp_id": 3745, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD3_Q15059_200_lig_smina_out.mol2", "protac_path": "3745_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5CN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "6080": {"pro_comp_id": 3745, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD3_Q15059_200_lig_smina_out.mol2", "protac_path": "3745_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5CN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "6081": {"pro_comp_id": 3745, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_200_lig_smina_out.mol2", "protac_path": "3745_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5CN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "6082": {"pro_comp_id": 3745, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_200_lig_smina_out.mol2", "protac_path": "3745_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5CN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "6083": {"pro_comp_id": 3746, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD2_P25440_200_lig_smina_out.mol2", "protac_path": "3746_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5CN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)C5)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "6084": {"pro_comp_id": 3746, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD3_Q15059_200_lig_smina_out.mol2", "protac_path": "3746_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5CN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)C5)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "6085": {"pro_comp_id": 3746, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_200_lig_smina_out.mol2", "protac_path": "3746_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5CN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)C5)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "6086": {"pro_comp_id": 3746, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD2_P25440_200_lig_smina_out.mol2", "protac_path": "3746_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5CN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)C5)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "6087": {"pro_comp_id": 3746, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD2_P25440_200_lig_smina_out.mol2", "protac_path": "3746_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5CN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)C5)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "6088": {"pro_comp_id": 3746, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD3_Q15059_200_lig_smina_out.mol2", "protac_path": "3746_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5CN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)C5)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "6089": {"pro_comp_id": 3746, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD3_Q15059_200_lig_smina_out.mol2", "protac_path": "3746_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5CN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)C5)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "6090": {"pro_comp_id": 3746, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_200_lig_smina_out.mol2", "protac_path": "3746_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5CN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)C5)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "6091": {"pro_comp_id": 3746, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_200_lig_smina_out.mol2", "protac_path": "3746_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5CN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)C5)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "6092": {"pro_comp_id": 3747, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD2_P25440_200_lig_smina_out.mol2", "protac_path": "3747_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5(CCN6CCN(C)CC6)CN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "6093": {"pro_comp_id": 3747, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD2_P25440_200_lig_smina_out.mol2", "protac_path": "3747_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5(CCN6CCN(C)CC6)CN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "6094": {"pro_comp_id": 3747, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD2_P25440_200_lig_smina_out.mol2", "protac_path": "3747_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5(CCN6CCN(C)CC6)CN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "6095": {"pro_comp_id": 3747, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD3_Q15059_200_lig_smina_out.mol2", "protac_path": "3747_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5(CCN6CCN(C)CC6)CN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "6096": {"pro_comp_id": 3747, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD3_Q15059_200_lig_smina_out.mol2", "protac_path": "3747_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5(CCN6CCN(C)CC6)CN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "6097": {"pro_comp_id": 3747, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD3_Q15059_200_lig_smina_out.mol2", "protac_path": "3747_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5(CCN6CCN(C)CC6)CN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "6098": {"pro_comp_id": 3747, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_200_lig_smina_out.mol2", "protac_path": "3747_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5(CCN6CCN(C)CC6)CN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "6099": {"pro_comp_id": 3747, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_200_lig_smina_out.mol2", "protac_path": "3747_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5(CCN6CCN(C)CC6)CN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "6100": {"pro_comp_id": 3747, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_200_lig_smina_out.mol2", "protac_path": "3747_protac.mol2", "smiles": "CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5(CCN6CCN(C)CC6)CN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)N=C4)=C3CC3=CC=CC=C3)N12", "label": -1}, "6101": {"pro_comp_id": 3748, "tar_path": "PLK4_O00444.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PLK4_O00444_419_lig_smina_out.mol2", "protac_path": "3748_protac.mol2", "smiles": "CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(C(=O)COC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)=N[NH]1", "label": -1}, "6102": {"pro_comp_id": 3749, "tar_path": "PLK4_O00444.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PLK4_O00444_419_lig_smina_out.mol2", "protac_path": "3749_protac.mol2", "smiles": "CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(C(=O)CCCOC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)=N[NH]1", "label": -1}, "6103": {"pro_comp_id": 3750, "tar_path": "PLK4_O00444.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PLK4_O00444_419_lig_smina_out.mol2", "protac_path": "3750_protac.mol2", "smiles": "CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(C(=O)CCCCCOC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)=N[NH]1", "label": -1}, "6104": {"pro_comp_id": 3751, "tar_path": "PLK4_O00444.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PLK4_O00444_419_lig_smina_out.mol2", "protac_path": "3751_protac.mol2", "smiles": "CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(C(=O)CCCCCCCOC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)=N[NH]1", "label": -1}, "6105": {"pro_comp_id": 3752, "tar_path": "PLK4_O00444.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PLK4_O00444_419_lig_smina_out.mol2", "protac_path": "3752_protac.mol2", "smiles": "CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(C(=O)CCCCCCCCCOC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)=N[NH]1", "label": -1}, "6106": {"pro_comp_id": 3753, "tar_path": "PLK4_O00444.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PLK4_O00444_419_lig_smina_out.mol2", "protac_path": "3753_protac.mol2", "smiles": "CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(C(=O)CCCCCCCCCCCOC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)=N[NH]1", "label": -1}, "6107": {"pro_comp_id": 3754, "tar_path": "PLK4_O00444.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PLK4_O00444_419_lig_smina_out.mol2", "protac_path": "3754_protac.mol2", "smiles": "CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(C(=O)CCCCCCCCCCCCCOC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)=N[NH]1", "label": -1}, "6108": {"pro_comp_id": 3755, "tar_path": "PLK4_O00444.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PLK4_O00444_419_lig_smina_out.mol2", "protac_path": "3755_protac.mol2", "smiles": "CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(C(=O)CCCCCCCCCCCCCCCOC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)=N[NH]1", "label": -1}, "6109": {"pro_comp_id": 3756, "tar_path": "PLK4_O00444.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PLK4_O00444_419_lig_smina_out.mol2", "protac_path": "3756_protac.mol2", "smiles": "CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(C(=O)CCCCCCCCCCCCCCCCCOC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)=N[NH]1", "label": -1}, "6110": {"pro_comp_id": 3757, "tar_path": "PLK4_O00444.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PLK4_O00444_419_lig_smina_out.mol2", "protac_path": "3757_protac.mol2", "smiles": "CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(C(=O)CCCCOC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)=N[NH]1", "label": -1}, "6111": {"pro_comp_id": 3758, "tar_path": "PLK4_O00444.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PLK4_O00444_419_lig_smina_out.mol2", "protac_path": "3758_protac.mol2", "smiles": "CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(C(=O)CCCCCCOC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)=N[NH]1", "label": -1}, "6112": {"pro_comp_id": 3759, "tar_path": "PLK4_O00444.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PLK4_O00444_419_lig_smina_out.mol2", "protac_path": "3759_protac.mol2", "smiles": "CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(C(=O)COCCOC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)=N[NH]1", "label": -1}, "6113": {"pro_comp_id": 3760, "tar_path": "PLK4_O00444.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PLK4_O00444_419_lig_smina_out.mol2", "protac_path": "3760_protac.mol2", "smiles": "CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(C(=O)CCOCCOC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)=N[NH]1", "label": -1}, "6114": {"pro_comp_id": 3761, "tar_path": "PLK4_O00444.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PLK4_O00444_419_lig_smina_out.mol2", "protac_path": "3761_protac.mol2", "smiles": "CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(C(=O)COCCOCCOC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)=N[NH]1", "label": -1}, "6115": {"pro_comp_id": 3762, "tar_path": "PLK4_O00444.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PLK4_O00444_419_lig_smina_out.mol2", "protac_path": "3762_protac.mol2", "smiles": "CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(C(=O)CCOCCOCCCOC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)=N[NH]1", "label": -1}, "6116": {"pro_comp_id": 3763, "tar_path": "PLK4_O00444.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PLK4_O00444_419_lig_smina_out.mol2", "protac_path": "3763_protac.mol2", "smiles": "CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(CC3=CC=C(C4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)=N[NH]1", "label": -1}, "6117": {"pro_comp_id": 3764, "tar_path": "PLK4_O00444.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PLK4_O00444_419_lig_smina_out.mol2", "protac_path": "3764_protac.mol2", "smiles": "CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(CC3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)CC2)=N[NH]1", "label": -1}, "6118": {"pro_comp_id": 3765, "tar_path": "PLK4_O00444.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PLK4_O00444_419_lig_smina_out.mol2", "protac_path": "3765_protac.mol2", "smiles": "CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(CC3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C3)CC2)=N[NH]1", "label": -1}, "6119": {"pro_comp_id": 3766, "tar_path": "PLK4_O00444.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PLK4_O00444_419_lig_smina_out.mol2", "protac_path": "3766_protac.mol2", "smiles": "CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(CC3CN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C3)CC2)=N[NH]1", "label": -1}, "6120": {"pro_comp_id": 3767, "tar_path": "PLK4_O00444.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PLK4_O00444_419_lig_smina_out.mol2", "protac_path": "3767_protac.mol2", "smiles": "CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(CC3CC4(C3)CN(C3=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C3)C4)CC2)=N[NH]1", "label": -1}, "6121": {"pro_comp_id": 3768, "tar_path": "PLK4_O00444.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PLK4_O00444_419_lig_smina_out.mol2", "protac_path": "3768_protac.mol2", "smiles": "CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(C(=O)CC3=CC=C(N4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)=N[NH]1", "label": -1}, "6122": {"pro_comp_id": 3769, "tar_path": "PLK4_O00444.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PLK4_O00444_419_lig_smina_out.mol2", "protac_path": "3769_protac.mol2", "smiles": "CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(C(=O)CC3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)CC2)=N[NH]1", "label": -1}, "6123": {"pro_comp_id": 3770, "tar_path": "PLK4_O00444.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PLK4_O00444_419_lig_smina_out.mol2", "protac_path": "3770_protac.mol2", "smiles": "CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(C(=O)CC3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C3)CC2)=N[NH]1", "label": -1}, "6124": {"pro_comp_id": 3771, "tar_path": "PLK4_O00444.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PLK4_O00444_419_lig_smina_out.mol2", "protac_path": "3771_protac.mol2", "smiles": "CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(C(=O)CC3CN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C3)CC2)=N[NH]1", "label": -1}, "6125": {"pro_comp_id": 3772, "tar_path": "PLK4_O00444.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PLK4_O00444_419_lig_smina_out.mol2", "protac_path": "3772_protac.mol2", "smiles": "CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(C(=O)CC3CC4(C3)CN(C3=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C3)C4)CC2)=N[NH]1", "label": -1}, "6126": {"pro_comp_id": 3773, "tar_path": "PLK4_O00444.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PLK4_O00444_419_lig_smina_out.mol2", "protac_path": "3773_protac.mol2", "smiles": "CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(C(=O)C3=CC=C(C4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)=N[NH]1", "label": -1}, "6127": {"pro_comp_id": 3774, "tar_path": "PLK4_O00444.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PLK4_O00444_419_lig_smina_out.mol2", "protac_path": "3774_protac.mol2", "smiles": "CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(C(=O)C3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)CC2)=N[NH]1", "label": -1}, "6128": {"pro_comp_id": 3775, "tar_path": "PLK4_O00444.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PLK4_O00444_419_lig_smina_out.mol2", "protac_path": "3775_protac.mol2", "smiles": "CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(C(=O)C3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C3)CC2)=N[NH]1", "label": -1}, "6129": {"pro_comp_id": 3776, "tar_path": "PLK4_O00444.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PLK4_O00444_419_lig_smina_out.mol2", "protac_path": "3776_protac.mol2", "smiles": "CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(C(=O)C3CN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C3)CC2)=N[NH]1", "label": -1}, "6130": {"pro_comp_id": 3777, "tar_path": "PLK4_O00444.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PLK4_O00444_419_lig_smina_out.mol2", "protac_path": "3777_protac.mol2", "smiles": "CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(C(=O)C3CC4(C3)CN(C3=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C3)C4)CC2)=N[NH]1", "label": -1}, "6183": {"pro_comp_id": 3804, "tar_path": "CBP_Q92793.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CBP_Q92793_420_lig_smina_out.mol2", "protac_path": "3804_protac.mol2", "smiles": "CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=NC=C13)=NN2C1CCOCC1", "label": -1}, "6184": {"pro_comp_id": 3804, "tar_path": "EP300_Q09472.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EP300_Q09472_420_lig_smina_out.mol2", "protac_path": "3804_protac.mol2", "smiles": "CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=NC=C13)=NN2C1CCOCC1", "label": -1}, "6185": {"pro_comp_id": 3805, "tar_path": "CBP_Q92793.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CBP_Q92793_420_lig_smina_out.mol2", "protac_path": "3805_protac.mol2", "smiles": "CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=NC=C13)=NN2C1CCOCC1", "label": -1}, "6186": {"pro_comp_id": 3805, "tar_path": "EP300_Q09472.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EP300_Q09472_420_lig_smina_out.mol2", "protac_path": "3805_protac.mol2", "smiles": "CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=NC=C13)=NN2C1CCOCC1", "label": -1}, "6187": {"pro_comp_id": 3806, "tar_path": "CBP_Q92793.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CBP_Q92793_420_lig_smina_out.mol2", "protac_path": "3806_protac.mol2", "smiles": "CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=NC=C13)=NN2C1CCOCC1", "label": -1}, "6188": {"pro_comp_id": 3806, "tar_path": "EP300_Q09472.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EP300_Q09472_420_lig_smina_out.mol2", "protac_path": "3806_protac.mol2", "smiles": "CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=NC=C13)=NN2C1CCOCC1", "label": -1}, "6189": {"pro_comp_id": 3807, "tar_path": "CBP_Q92793.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CBP_Q92793_420_lig_smina_out.mol2", "protac_path": "3807_protac.mol2", "smiles": "CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=NC=C13)=NN2C1CCOCC1", "label": -1}, "6190": {"pro_comp_id": 3807, "tar_path": "EP300_Q09472.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EP300_Q09472_420_lig_smina_out.mol2", "protac_path": "3807_protac.mol2", "smiles": "CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=NC=C13)=NN2C1CCOCC1", "label": -1}, "6191": {"pro_comp_id": 3808, "tar_path": "CBP_Q92793.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CBP_Q92793_420_lig_smina_out.mol2", "protac_path": "3808_protac.mol2", "smiles": "CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=NC=C13)=NN2C1CCOCC1", "label": -1}, "6192": {"pro_comp_id": 3808, "tar_path": "EP300_Q09472.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EP300_Q09472_420_lig_smina_out.mol2", "protac_path": "3808_protac.mol2", "smiles": "CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=NC=C13)=NN2C1CCOCC1", "label": -1}, "6193": {"pro_comp_id": 3809, "tar_path": "CBP_Q92793.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CBP_Q92793_420_lig_smina_out.mol2", "protac_path": "3809_protac.mol2", "smiles": "CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=NC=C13)=NN2C1CCOCC1", "label": -1}, "6194": {"pro_comp_id": 3809, "tar_path": "EP300_Q09472.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EP300_Q09472_420_lig_smina_out.mol2", "protac_path": "3809_protac.mol2", "smiles": "CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=NC=C13)=NN2C1CCOCC1", "label": -1}, "6195": {"pro_comp_id": 3810, "tar_path": "CBP_Q92793.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CBP_Q92793_420_lig_smina_out.mol2", "protac_path": "3810_protac.mol2", "smiles": "CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=NC=C13)=NN2C1CCOCC1", "label": -1}, "6196": {"pro_comp_id": 3810, "tar_path": "EP300_Q09472.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EP300_Q09472_420_lig_smina_out.mol2", "protac_path": "3810_protac.mol2", "smiles": "CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=NC=C13)=NN2C1CCOCC1", "label": -1}, "6197": {"pro_comp_id": 3811, "tar_path": "CBP_Q92793.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "CBP_Q92793_420_lig_smina_out.mol2", "protac_path": "3811_protac.mol2", "smiles": "CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=NC=C13)=NN2C1CCOCC1", "label": -1}, "6198": {"pro_comp_id": 3811, "tar_path": "EP300_Q09472.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "EP300_Q09472_420_lig_smina_out.mol2", "protac_path": "3811_protac.mol2", "smiles": "CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=NC=C13)=NN2C1CCOCC1", "label": -1}, "6199": {"pro_comp_id": 3812, "tar_path": "CBP_Q92793.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "CBP_Q92793_420_lig_smina_out.mol2", "protac_path": "3812_protac.mol2", "smiles": "CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=NC=C13)=NN2C1CCOCC1", "label": -1}, "6200": {"pro_comp_id": 3812, "tar_path": "EP300_Q09472.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "EP300_Q09472_420_lig_smina_out.mol2", "protac_path": "3812_protac.mol2", "smiles": "CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=NC=C13)=NN2C1CCOCC1", "label": -1}, "6201": {"pro_comp_id": 3813, "tar_path": "CBP_Q92793.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "CBP_Q92793_420_lig_smina_out.mol2", "protac_path": "3813_protac.mol2", "smiles": "CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=NC=C13)=NN2C1CCOCC1", "label": -1}, "6202": {"pro_comp_id": 3813, "tar_path": "EP300_Q09472.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "EP300_Q09472_420_lig_smina_out.mol2", "protac_path": "3813_protac.mol2", "smiles": "CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=NC=C13)=NN2C1CCOCC1", "label": -1}, "6203": {"pro_comp_id": 3814, "tar_path": "CBP_Q92793.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "CBP_Q92793_420_lig_smina_out.mol2", "protac_path": "3814_protac.mol2", "smiles": "CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=NC=C13)=NN2C1CCOCC1", "label": -1}, "6204": {"pro_comp_id": 3814, "tar_path": "EP300_Q09472.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "EP300_Q09472_420_lig_smina_out.mol2", "protac_path": "3814_protac.mol2", "smiles": "CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=NC=C13)=NN2C1CCOCC1", "label": -1}, "6205": {"pro_comp_id": 3815, "tar_path": "CBP_Q92793.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "CBP_Q92793_420_lig_smina_out.mol2", "protac_path": "3815_protac.mol2", "smiles": "CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCCNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=NC=C13)=NN2C1CCOCC1", "label": -1}, "6206": {"pro_comp_id": 3815, "tar_path": "EP300_Q09472.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "EP300_Q09472_420_lig_smina_out.mol2", "protac_path": "3815_protac.mol2", "smiles": "CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCCNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=NC=C13)=NN2C1CCOCC1", "label": -1}, "6207": {"pro_comp_id": 3816, "tar_path": "CBP_Q92793.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "CBP_Q92793_420_lig_smina_out.mol2", "protac_path": "3816_protac.mol2", "smiles": "CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)CC6=C5)N=C4)=NC=C13)=NN2C1CCOCC1", "label": -1}, "6208": {"pro_comp_id": 3816, "tar_path": "EP300_Q09472.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "EP300_Q09472_420_lig_smina_out.mol2", "protac_path": "3816_protac.mol2", "smiles": "CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)CC6=C5)N=C4)=NC=C13)=NN2C1CCOCC1", "label": -1}, "6209": {"pro_comp_id": 3817, "tar_path": "CBP_Q92793.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "CBP_Q92793_420_lig_smina_out.mol2", "protac_path": "3817_protac.mol2", "smiles": "CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)CC6=C5)N=C4)=NC=C13)=NN2C1CCOCC1", "label": -1}, "6210": {"pro_comp_id": 3817, "tar_path": "EP300_Q09472.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "EP300_Q09472_420_lig_smina_out.mol2", "protac_path": "3817_protac.mol2", "smiles": "CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)CC6=C5)N=C4)=NC=C13)=NN2C1CCOCC1", "label": -1}, "6211": {"pro_comp_id": 3818, "tar_path": "CBP_Q92793.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CBP_Q92793_420_lig_smina_out.mol2", "protac_path": "3818_protac.mol2", "smiles": "CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)N5CCC(NC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)N=C4)=NC=C13)=NN2C1CCOCC1", "label": -1}, "6212": {"pro_comp_id": 3818, "tar_path": "EP300_Q09472.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EP300_Q09472_420_lig_smina_out.mol2", "protac_path": "3818_protac.mol2", "smiles": "CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)N5CCC(NC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)N=C4)=NC=C13)=NN2C1CCOCC1", "label": -1}, "6213": {"pro_comp_id": 3819, "tar_path": "CBP_Q92793.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CBP_Q92793_420_lig_smina_out.mol2", "protac_path": "3819_protac.mol2", "smiles": "CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NC5CCN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)N=C4)=NC=C13)=NN2C1CCOCC1", "label": -1}, "6214": {"pro_comp_id": 3819, "tar_path": "EP300_Q09472.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EP300_Q09472_420_lig_smina_out.mol2", "protac_path": "3819_protac.mol2", "smiles": "CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NC5CCN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)N=C4)=NC=C13)=NN2C1CCOCC1", "label": -1}, "6215": {"pro_comp_id": 3820, "tar_path": "CBP_Q92793.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CBP_Q92793_420_lig_smina_out.mol2", "protac_path": "3820_protac.mol2", "smiles": "CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)N5CCC(C6CN(C7=CC=CC8=C7C(=O)N(C7CCC(=O)NC7=O)C8=O)C6)CC5)N=C4)=NC=C13)=NN2C1CCOCC1", "label": -1}, "6216": {"pro_comp_id": 3820, "tar_path": "EP300_Q09472.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EP300_Q09472_420_lig_smina_out.mol2", "protac_path": "3820_protac.mol2", "smiles": "CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)N5CCC(C6CN(C7=CC=CC8=C7C(=O)N(C7CCC(=O)NC7=O)C8=O)C6)CC5)N=C4)=NC=C13)=NN2C1CCOCC1", "label": -1}, "6217": {"pro_comp_id": 3821, "tar_path": "CBP_Q92793.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CBP_Q92793_420_lig_smina_out.mol2", "protac_path": "3821_protac.mol2", "smiles": "CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)N5CCC(C6CCN(C7=CC=CC8=C7C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)N=C4)=NC=C13)=NN2C1CCOCC1", "label": -1}, "6218": {"pro_comp_id": 3821, "tar_path": "EP300_Q09472.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EP300_Q09472_420_lig_smina_out.mol2", "protac_path": "3821_protac.mol2", "smiles": "CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)N5CCC(C6CCN(C7=CC=CC8=C7C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)N=C4)=NC=C13)=NN2C1CCOCC1", "label": -1}, "6219": {"pro_comp_id": 3822, "tar_path": "CBP_Q92793.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CBP_Q92793_420_lig_smina_out.mol2", "protac_path": "3822_protac.mol2", "smiles": "CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)N5CCC6(CC5)CC(NC5=CC=CC7=C5C(=O)N(C5CCC(=O)NC5=O)C7=O)C6)N=C4)=NC=C13)=NN2C1CCOCC1", "label": -1}, "6220": {"pro_comp_id": 3822, "tar_path": "EP300_Q09472.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EP300_Q09472_420_lig_smina_out.mol2", "protac_path": "3822_protac.mol2", "smiles": "CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)N5CCC6(CC5)CC(NC5=CC=CC7=C5C(=O)N(C5CCC(=O)NC5=O)C7=O)C6)N=C4)=NC=C13)=NN2C1CCOCC1", "label": -1}, "6221": {"pro_comp_id": 3823, "tar_path": "CBP_Q92793.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CBP_Q92793_420_lig_smina_out.mol2", "protac_path": "3823_protac.mol2", "smiles": "CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)N5CCC6(CCC(NC7=CC=CC8=C7C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)N=C4)=NC=C13)=NN2C1CCOCC1", "label": -1}, "6222": {"pro_comp_id": 3823, "tar_path": "EP300_Q09472.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EP300_Q09472_420_lig_smina_out.mol2", "protac_path": "3823_protac.mol2", "smiles": "CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)N5CCC6(CCC(NC7=CC=CC8=C7C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)N=C4)=NC=C13)=NN2C1CCOCC1", "label": -1}, "6223": {"pro_comp_id": 3824, "tar_path": "CBP_Q92793.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CBP_Q92793_420_lig_smina_out.mol2", "protac_path": "3824_protac.mol2", "smiles": "CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)N5CC6(CCC(NC7=CC=CC8=C7C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)C5)N=C4)=NC=C13)=NN2C1CCOCC1", "label": -1}, "6224": {"pro_comp_id": 3824, "tar_path": "EP300_Q09472.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EP300_Q09472_420_lig_smina_out.mol2", "protac_path": "3824_protac.mol2", "smiles": "CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)N5CC6(CCC(NC7=CC=CC8=C7C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)C5)N=C4)=NC=C13)=NN2C1CCOCC1", "label": -1}, "6225": {"pro_comp_id": 3825, "tar_path": "CBP_Q92793.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CBP_Q92793_420_lig_smina_out.mol2", "protac_path": "3825_protac.mol2", "smiles": "CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)N5CC6(CC(NC7=CC=CC8=C7C(=O)N(C7CCC(=O)NC7=O)C8=O)C6)C5)N=C4)=NC=C13)=NN2C1CCOCC1", "label": -1}, "6226": {"pro_comp_id": 3825, "tar_path": "EP300_Q09472.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EP300_Q09472_420_lig_smina_out.mol2", "protac_path": "3825_protac.mol2", "smiles": "CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)N5CC6(CC(NC7=CC=CC8=C7C(=O)N(C7CCC(=O)NC7=O)C8=O)C6)C5)N=C4)=NC=C13)=NN2C1CCOCC1", "label": -1}, "6227": {"pro_comp_id": 3826, "tar_path": "CBP_Q92793.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CBP_Q92793_420_lig_smina_out.mol2", "protac_path": "3826_protac.mol2", "smiles": "CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NC5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)N=C4)=NC=C13)=NN2C1CCOCC1", "label": -1}, "6228": {"pro_comp_id": 3826, "tar_path": "EP300_Q09472.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EP300_Q09472_420_lig_smina_out.mol2", "protac_path": "3826_protac.mol2", "smiles": "CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NC5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)N=C4)=NC=C13)=NN2C1CCOCC1", "label": -1}, "6229": {"pro_comp_id": 3827, "tar_path": "CBP_Q92793.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "CBP_Q92793_420_lig_smina_out.mol2", "protac_path": "3827_protac.mol2", "smiles": "CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NC5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)CC7=C6)CC5)N=C4)=NC=C13)=NN2C1CCOCC1", "label": -1}, "6230": {"pro_comp_id": 3827, "tar_path": "EP300_Q09472.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "EP300_Q09472_420_lig_smina_out.mol2", "protac_path": "3827_protac.mol2", "smiles": "CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NC5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)CC7=C6)CC5)N=C4)=NC=C13)=NN2C1CCOCC1", "label": -1}, "6231": {"pro_comp_id": 3828, "tar_path": "EP300_Q09472.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EP300_Q09472_421_lig_smina_out.mol2", "protac_path": "3828_protac.mol2", "smiles": "C[C@H](N(CC1=CC=C(F)C=C1)C(=O)CN1C[C@]2(CCC3=CC(NC(=O)CCCCCCCCCCCNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)=CC=C32)OC1=O)C(F)(F)F", "label": -1}, "6232": {"pro_comp_id": 3829, "tar_path": "Alpha-syn_P37840.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_38_lig_smina_out.mol2", "war_path": "Alpha-syn_P37840_422_lig_smina_out.mol2", "protac_path": "3829_protac.mol2", "smiles": "CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CC1=CC=CC=C1)C(=O)NCCOCCOCCNC1=CC=CC(C2=CC(C3=CC=C4OCOC4=C3)=N[NH]2)=C1", "label": -1}, "6233": {"pro_comp_id": 3830, "tar_path": "Alpha-syn_P37840.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_38_lig_smina_out.mol2", "war_path": "Alpha-syn_P37840_422_lig_smina_out.mol2", "protac_path": "3830_protac.mol2", "smiles": "CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CC1=CC=CC=C1)C(=O)NCCOCCOCCOCCNC1=CC=CC(C2=CC(C3=CC=C4OCOC4=C3)=N[NH]2)=C1", "label": -1}, "6234": {"pro_comp_id": 3831, "tar_path": "Alpha-syn_P37840.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Alpha-syn_P37840_422_lig_smina_out.mol2", "protac_path": "3831_protac.mol2", "smiles": "O=C(CNC1=CC=CC(C2=CC(C3=CC=C4OCOC4=C3)=N[NH]2)=C1)NCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "6235": {"pro_comp_id": 3832, "tar_path": "Alpha-syn_P37840.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Alpha-syn_P37840_422_lig_smina_out.mol2", "protac_path": "3832_protac.mol2", "smiles": "O=C(CNC1=CC=CC(C2=CC(C3=CC=C4OCOC4=C3)=N[NH]2)=C1)NCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "6236": {"pro_comp_id": 3833, "tar_path": "Alpha-syn_P37840.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "Alpha-syn_P37840_422_lig_smina_out.mol2", "protac_path": "3833_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCNC3=CC=CC(C4=CC(C5=CC=C6OCOC6=C5)=N[NH]4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6237": {"pro_comp_id": 3834, "tar_path": "Alpha-syn_P37840.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "Alpha-syn_P37840_422_lig_smina_out.mol2", "protac_path": "3834_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCNC3=CC=CC(C4=CC(C5=CC=C6OCOC6=C5)=N[NH]4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6238": {"pro_comp_id": 3835, "tar_path": "BPTF_Q12830.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BPTF_BD_Q12830_423_lig_smina_out.mol2", "protac_path": "3835_protac.mol2", "smiles": "CN1N=CC(NC2=CC=C3CN(CCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CCC3=C2)=C(Cl)C1=O", "label": -1}, "6239": {"pro_comp_id": 3835, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD9_BD_Q9H8M2_423_lig_smina_out.mol2", "protac_path": "3835_protac.mol2", "smiles": "CN1N=CC(NC2=CC=C3CN(CCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CCC3=C2)=C(Cl)C1=O", "label": -1}, "6240": {"pro_comp_id": 3835, "tar_path": "CECR2_Q9BXF3.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CECR2_BD_Q9BXF3_423_lig_smina_out.mol2", "protac_path": "3835_protac.mol2", "smiles": "CN1N=CC(NC2=CC=C3CN(CCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CCC3=C2)=C(Cl)C1=O", "label": -1}, "6241": {"pro_comp_id": 3836, "tar_path": "BPTF_Q12830.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BPTF_BD_Q12830_424_lig_smina_out.mol2", "protac_path": "3836_protac.mol2", "smiles": "CN1N=CC(NC2=CC=C3CCN(CCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3=C2)=C(Cl)C1=O", "label": -1}, "6242": {"pro_comp_id": 3836, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD9_BD_Q9H8M2_424_lig_smina_out.mol2", "protac_path": "3836_protac.mol2", "smiles": "CN1N=CC(NC2=CC=C3CCN(CCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3=C2)=C(Cl)C1=O", "label": -1}, "6243": {"pro_comp_id": 3836, "tar_path": "CECR2_Q9BXF3.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CECR2_BD_Q9BXF3_424_lig_smina_out.mol2", "protac_path": "3836_protac.mol2", "smiles": "CN1N=CC(NC2=CC=C3CCN(CCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3=C2)=C(Cl)C1=O", "label": -1}, "6244": {"pro_comp_id": 3837, "tar_path": "BPTF_Q12830.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BPTF_BD_Q12830_423_lig_smina_out.mol2", "protac_path": "3837_protac.mol2", "smiles": "CN1N=CC(NC2=CC=C3CN(CCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CCC3=C2)=C(Cl)C1=O", "label": -1}, "6245": {"pro_comp_id": 3837, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD9_BD_Q9H8M2_423_lig_smina_out.mol2", "protac_path": "3837_protac.mol2", "smiles": "CN1N=CC(NC2=CC=C3CN(CCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CCC3=C2)=C(Cl)C1=O", "label": -1}, "6246": {"pro_comp_id": 3837, "tar_path": "CECR2_Q9BXF3.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CECR2_BD_Q9BXF3_423_lig_smina_out.mol2", "protac_path": "3837_protac.mol2", "smiles": "CN1N=CC(NC2=CC=C3CN(CCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CCC3=C2)=C(Cl)C1=O", "label": -1}, "6247": {"pro_comp_id": 3838, "tar_path": "BPTF_Q12830.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BPTF_BD_Q12830_424_lig_smina_out.mol2", "protac_path": "3838_protac.mol2", "smiles": "CN1N=CC(NC2=CC=C3CCN(CCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3=C2)=C(Cl)C1=O", "label": -1}, "6248": {"pro_comp_id": 3838, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD9_BD_Q9H8M2_424_lig_smina_out.mol2", "protac_path": "3838_protac.mol2", "smiles": "CN1N=CC(NC2=CC=C3CCN(CCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3=C2)=C(Cl)C1=O", "label": -1}, "6249": {"pro_comp_id": 3838, "tar_path": "CECR2_Q9BXF3.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CECR2_BD_Q9BXF3_424_lig_smina_out.mol2", "protac_path": "3838_protac.mol2", "smiles": "CN1N=CC(NC2=CC=C3CCN(CCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3=C2)=C(Cl)C1=O", "label": -1}, "6250": {"pro_comp_id": 3839, "tar_path": "BPTF_Q12830.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BPTF_BD_Q12830_425_lig_smina_out.mol2", "protac_path": "3839_protac.mol2", "smiles": "CS(=O)(=O)C1=NC(NCCCN2C=CC=N2)=CC(C2=CC=C(OCCCN3CCN(CCCCCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=N1", "label": -1}, "6251": {"pro_comp_id": 3839, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD9_BD_Q9H8M2_425_lig_smina_out.mol2", "protac_path": "3839_protac.mol2", "smiles": "CS(=O)(=O)C1=NC(NCCCN2C=CC=N2)=CC(C2=CC=C(OCCCN3CCN(CCCCCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=N1", "label": -1}, "6252": {"pro_comp_id": 3839, "tar_path": "CECR2_Q9BXF3.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CECR2_BD_Q9BXF3_425_lig_smina_out.mol2", "protac_path": "3839_protac.mol2", "smiles": "CS(=O)(=O)C1=NC(NCCCN2C=CC=N2)=CC(C2=CC=C(OCCCN3CCN(CCCCCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=N1", "label": -1}, "6253": {"pro_comp_id": 3840, "tar_path": "BPTF_Q12830.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BPTF_BD_Q12830_425_lig_smina_out.mol2", "protac_path": "3840_protac.mol2", "smiles": "CS(=O)(=O)C1=NC(NCCCN2C=CC=N2)=CC(C2=CC=C(OCCCN3CCN(CCOCCOCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=N1", "label": -1}, "6254": {"pro_comp_id": 3840, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD9_BD_Q9H8M2_425_lig_smina_out.mol2", "protac_path": "3840_protac.mol2", "smiles": "CS(=O)(=O)C1=NC(NCCCN2C=CC=N2)=CC(C2=CC=C(OCCCN3CCN(CCOCCOCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=N1", "label": -1}, "6255": {"pro_comp_id": 3840, "tar_path": "CECR2_Q9BXF3.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CECR2_BD_Q9BXF3_425_lig_smina_out.mol2", "protac_path": "3840_protac.mol2", "smiles": "CS(=O)(=O)C1=NC(NCCCN2C=CC=N2)=CC(C2=CC=C(OCCCN3CCN(CCOCCOCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=N1", "label": -1}, "6256": {"pro_comp_id": 3841, "tar_path": "BPTF_Q12830.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BPTF_BD_Q12830_425_lig_smina_out.mol2", "protac_path": "3841_protac.mol2", "smiles": "CN(CCCOC1=CC=C(C2=CC(NCCCN3C=CC=N3)=NC(S(C)(=O)=O)=N2)C=C1)CCOCCOCCOC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "6257": {"pro_comp_id": 3841, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD9_BD_Q9H8M2_425_lig_smina_out.mol2", "protac_path": "3841_protac.mol2", "smiles": "CN(CCCOC1=CC=C(C2=CC(NCCCN3C=CC=N3)=NC(S(C)(=O)=O)=N2)C=C1)CCOCCOCCOC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "6258": {"pro_comp_id": 3841, "tar_path": "CECR2_Q9BXF3.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CECR2_BD_Q9BXF3_425_lig_smina_out.mol2", "protac_path": "3841_protac.mol2", "smiles": "CN(CCCOC1=CC=C(C2=CC(NCCCN3C=CC=N3)=NC(S(C)(=O)=O)=N2)C=C1)CCOCCOCCOC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "6259": {"pro_comp_id": 3842, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GPX4_P36969_426_lig_smina_out.mol2", "protac_path": "3842_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(OCC(=O)NC4=CC=C(N(C(=O)CCl)C(C(=O)NCCC5=CC=CC=C5)C5=CC=CS5)C=C4)=C3C2=O)C(=O)N1", "label": -1}, "6260": {"pro_comp_id": 3843, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GPX4_P36969_426_lig_smina_out.mol2", "protac_path": "3843_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCC(=O)NC4=CC=C(N(C(=O)CCl)C(C(=O)NCCC5=CC=CC=C5)C5=CC=CS5)C=C4)=C3C2=O)C(=O)N1", "label": -1}, "6261": {"pro_comp_id": 3844, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GPX4_P36969_426_lig_smina_out.mol2", "protac_path": "3844_protac.mol2", "smiles": "O=C(CCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCC(=O)NC1=CC=C(N(C(=O)CCl)C(C(=O)NCCC2=CC=CC=C2)C2=CC=CS2)C=C1", "label": -1}, "6262": {"pro_comp_id": 3845, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GPX4_P36969_426_lig_smina_out.mol2", "protac_path": "3845_protac.mol2", "smiles": "O=C(CCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCC(=O)NC1=CC=C(N(C(=O)CCl)C(C(=O)NCCC2=CC=CC=C2)C2=CC=CS2)C=C1", "label": -1}, "6263": {"pro_comp_id": 3846, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GPX4_P36969_426_lig_smina_out.mol2", "protac_path": "3846_protac.mol2", "smiles": "O=C(CCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCC(=O)NC1=CC=C(N(C(=O)CCl)C(C(=O)NCCC2=CC=CC=C2)C2=CC=CS2)C=C1", "label": -1}, "6264": {"pro_comp_id": 3847, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GPX4_P36969_426_lig_smina_out.mol2", "protac_path": "3847_protac.mol2", "smiles": "O=C(CCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCC(=O)NC1=CC=C(N(C(=O)CCl)C(C(=O)NCCC2=CC=CC=C2)C2=CC=CS2)C=C1", "label": -1}, "6265": {"pro_comp_id": 3848, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GPX4_P36969_426_lig_smina_out.mol2", "protac_path": "3848_protac.mol2", "smiles": "O=C(CCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCC(=O)NC1=CC=C(N(C(=O)CCl)C(C(=O)NCCC2=CC=CC=C2)C2=CC=CS2)C=C1", "label": -1}, "6266": {"pro_comp_id": 3849, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GPX4_P36969_426_lig_smina_out.mol2", "protac_path": "3849_protac.mol2", "smiles": "O=C(CCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOCCC(=O)NC1=CC=C(N(C(=O)CCl)C(C(=O)NCCC2=CC=CC=C2)C2=CC=CS2)C=C1", "label": -1}, "6267": {"pro_comp_id": 3850, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GPX4_P36969_426_lig_smina_out.mol2", "protac_path": "3850_protac.mol2", "smiles": "O=C(CCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOCCOCCC(=O)NC1=CC=C(N(C(=O)CCl)C(C(=O)NCCC2=CC=CC=C2)C2=CC=CS2)C=C1", "label": -1}, "6268": {"pro_comp_id": 3851, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GPX4_P36969_426_lig_smina_out.mol2", "protac_path": "3851_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCC(=O)N4CCN(CC(=O)NC5=CC=C(N(C(=O)CCl)C(C(=O)NCCC6=CC=CC=C6)C6=CC=CS6)C=C5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "6269": {"pro_comp_id": 3852, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GPX4_P36969_426_lig_smina_out.mol2", "protac_path": "3852_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCC(=O)N4CCN(CC(=O)NC5=CC=C(N(C(=O)CCl)C(C(=O)NCCC6=CC=CC=C6)C6=CC=CS6)C=C5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "6270": {"pro_comp_id": 3853, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GPX4_P36969_426_lig_smina_out.mol2", "protac_path": "3853_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCC(=O)N4CCN(CC(=O)NC5=CC=C(N(C(=O)CCl)C(C(=O)NCCC6=CC=CC=C6)C6=CC=CS6)C=C5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "6271": {"pro_comp_id": 3854, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GPX4_P36969_426_lig_smina_out.mol2", "protac_path": "3854_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOCCC(=O)N4CCN(CC(=O)NC5=CC=C(N(C(=O)CCl)C(C(=O)NCCC6=CC=CC=C6)C6=CC=CS6)C=C5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "6272": {"pro_comp_id": 3855, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GPX4_P36969_426_lig_smina_out.mol2", "protac_path": "3855_protac.mol2", "smiles": "O=C(CCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOCCC(=O)NC1=CC=C(N(C(=O)CCl)C(C(=O)NCCC2=CC=CC=C2)C2=CC=CS2)C=C1", "label": -1}, "6273": {"pro_comp_id": 3856, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GPX4_P36969_426_lig_smina_out.mol2", "protac_path": "3856_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCC(=O)NC4=CC=C(N(C(=O)CCl)C(C(=O)NCCC5=CC=CC=C5)C5=CC=CS5)C=C4)=C3C2=O)C(=O)N1", "label": -1}, "6274": {"pro_comp_id": 3857, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GPX4_P36969_426_lig_smina_out.mol2", "protac_path": "3857_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOCCC(=O)NC4=CC=C(N(C(=O)CCl)C(C(=O)NCCC5=CC=CC=C5)C5=CC=CS5)C=C4)=C3C2=O)C(=O)N1", "label": -1}, "6275": {"pro_comp_id": 3858, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "GPX4_P36969_426_lig_smina_out.mol2", "protac_path": "3858_protac.mol2", "smiles": "O=C(CCOCCNC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)NCCC(=O)NC1=CC=C(N(C(=O)CCl)C(C(=O)NCCC2=CC=CC=C2)C2=CC=CS2)C=C1", "label": -1}, "6276": {"pro_comp_id": 3859, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "GPX4_P36969_426_lig_smina_out.mol2", "protac_path": "3859_protac.mol2", "smiles": "O=C(CCOCCNC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)NCCCC(=O)NC1=CC=C(N(C(=O)CCl)C(C(=O)NCCC2=CC=CC=C2)C2=CC=CS2)C=C1", "label": -1}, "6277": {"pro_comp_id": 3860, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "GPX4_P36969_426_lig_smina_out.mol2", "protac_path": "3860_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCC(=O)NC3=CC=C(N(C(=O)CCl)C(C(=O)NCCC4=CC=CC=C4)C4=CC=CS4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6278": {"pro_comp_id": 3861, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "GPX4_P36969_426_lig_smina_out.mol2", "protac_path": "3861_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCC(=O)NC3=CC=C(N(C(=O)CCl)C(C(=O)NCCC4=CC=CC=C4)C4=CC=CS4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6279": {"pro_comp_id": 3862, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "GPX4_P36969_426_lig_smina_out.mol2", "protac_path": "3862_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCC(=O)NC3=CC=C(N(C(=O)CCl)C(C(=O)NCCC4=CC=CC=C4)C4=CC=CS4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6280": {"pro_comp_id": 3863, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "GPX4_P36969_426_lig_smina_out.mol2", "protac_path": "3863_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCC(=O)NC3=CC=C(N(C(=O)CCl)C(C(=O)NCCC4=CC=CC=C4)C4=CC=CS4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6281": {"pro_comp_id": 3864, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "GPX4_P36969_426_lig_smina_out.mol2", "protac_path": "3864_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCC(=O)NC3=CC=C(N(C(=O)CCl)C(C(=O)NCCC4=CC=CC=C4)C4=CC=CS4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6282": {"pro_comp_id": 3865, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "GPX4_P36969_426_lig_smina_out.mol2", "protac_path": "3865_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCC(=O)NC3=CC=C(N(C(=O)CCl)C(C(=O)NCCC4=CC=CC=C4)C4=CC=CS4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6283": {"pro_comp_id": 3866, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "GPX4_P36969_426_lig_smina_out.mol2", "protac_path": "3866_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCC(=O)N3CCN(CC(=O)NC4=CC=C(N(C(=O)CCl)C(C(=O)NCCC5=CC=CC=C5)C5=CC=CS5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6284": {"pro_comp_id": 3867, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GPX4_P36969_426_lig_smina_out.mol2", "protac_path": "3867_protac.mol2", "smiles": "O=C(CN1C=C(COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1)NCCCCC(=O)NC1=CC=C(N(C(=O)CCl)C(C(=O)NCCC2=CC=CC=C2)C2=CC=CS2)C=C1", "label": -1}, "6285": {"pro_comp_id": 3868, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GPX4_P36969_426_lig_smina_out.mol2", "protac_path": "3868_protac.mol2", "smiles": "C=C(F)C(=O)N(C1=CC=C(NC(=O)CCOCCNC(=O)CCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)C(C(=O)NCCC1=CC=CC=C1)C1=CC=CS1", "label": -1}, "6286": {"pro_comp_id": 3869, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GPX4_P36969_426_lig_smina_out.mol2", "protac_path": "3869_protac.mol2", "smiles": "COC1=CC=C(N(C(=O)CCl)C(C(=O)NCCC2=CC=CC=C2)C2=CC=C(NC(=O)CCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)C=C1Cl", "label": -1}, "6287": {"pro_comp_id": 3870, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GPX4_P36969_426_lig_smina_out.mol2", "protac_path": "3870_protac.mol2", "smiles": "COC1=CC=C(N(C(=O)CCl)C(C(=O)NCCC2=CC=CC=C2)C2=CC=C(NC(=O)CCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)C=C1Cl", "label": -1}, "6288": {"pro_comp_id": 3871, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GPX4_P36969_426_lig_smina_out.mol2", "protac_path": "3871_protac.mol2", "smiles": "COC1=CC=C(N(C(=O)CCl)C(C(=O)NCCC2=CC=CC=C2)C2=CC=C(NC(=O)CCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)C=C1Cl", "label": -1}, "6289": {"pro_comp_id": 3872, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GPX4_P36969_426_lig_smina_out.mol2", "protac_path": "3872_protac.mol2", "smiles": "COC1=CC=C(N(C(=O)CCl)C(C(=O)NCCC2=CC=CC=C2)C2=CC=C(NC(=O)CCOCCNC(=O)CCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)C=C1Cl", "label": -1}, "6290": {"pro_comp_id": 3873, "tar_path": "Alpha-syn_P37840.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "Alpha-syn_P37840_427_lig_smina_out.mol2", "protac_path": "3873_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCC(=O)NC4=CC=CC(C5=N[NH]C(C6=CC=C7OCOC7=C6)=C5)=C4)=C3C2=O)C(=O)N1", "label": -1}, "6291": {"pro_comp_id": 3874, "tar_path": "Alpha-syn_P37840.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "Alpha-syn_P37840_427_lig_smina_out.mol2", "protac_path": "3874_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCC(=O)NC4=CC=C(C5=N[NH]C(C6=CC=C7OCOC7=C6)=C5)C=C4)=C3C2=O)C(=O)N1", "label": -1}, "6292": {"pro_comp_id": 3875, "tar_path": "Alpha-syn_P37840.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "Alpha-syn_P37840_427_lig_smina_out.mol2", "protac_path": "3875_protac.mol2", "smiles": "O=C1CCC(N2CC3=C(NC(=O)CCCC4=CN(C5=CC=CC(C6=N[NH]C(C7=CC=C8OCOC8=C7)=C6)=C5)N=N4)C=CC=C3C2=O)C(=O)N1", "label": -1}, "6293": {"pro_comp_id": 3876, "tar_path": "Alpha-syn_P37840.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "Alpha-syn_P37840_427_lig_smina_out.mol2", "protac_path": "3876_protac.mol2", "smiles": "O=C1CCC(N2CC3=C(NC(=O)CCCC4=CN(C5=CC=C(C6=N[NH]C(C7=CC=C8OCOC8=C7)=C6)C=C5)N=N4)C=CC=C3C2=O)C(=O)N1", "label": -1}, "6294": {"pro_comp_id": 3877, "tar_path": "Alpha-syn_P37840.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "Alpha-syn_P37840_427_lig_smina_out.mol2", "protac_path": "3877_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCC4=CN(C5=CC=CC(C6=N[NH]C(C7=CC=C8OCOC8=C7)=C6)=C5)N=N4)=C3C2=O)C(=O)N1", "label": -1}, "6295": {"pro_comp_id": 3878, "tar_path": "Alpha-syn_P37840.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "Alpha-syn_P37840_427_lig_smina_out.mol2", "protac_path": "3878_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCC4=CN(C5=CC=C(C6=N[NH]C(C7=CC=C8OCOC8=C7)=C6)C=C5)N=N4)=C3C2=O)C(=O)N1", "label": -1}, "6296": {"pro_comp_id": 3879, "tar_path": "FGFR2_P21802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FGFR2_P21802_323_lig_smina_out.mol2", "protac_path": "3879_protac.mol2", "smiles": "COC1=CC(OC)=C(Cl)C(NC(=O)N(C)C2=CC(NC3=CC=C(N4CCN(CC(=O)NCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)=NC=N2)=C1Cl", "label": -1}, "6297": {"pro_comp_id": 3880, "tar_path": "FGFR2_P21802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FGFR2_P21802_323_lig_smina_out.mol2", "protac_path": "3880_protac.mol2", "smiles": "COC1=CC(OC)=C(Cl)C(NC(=O)N(C)C2=CC(NC3=CC=C(N4CCN(C(=O)CCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)=NC=N2)=C1Cl", "label": -1}, "6298": {"pro_comp_id": 3881, "tar_path": "FGFR2_P21802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FGFR2_P21802_323_lig_smina_out.mol2", "protac_path": "3881_protac.mol2", "smiles": "COC1=CC(OC)=C(Cl)C(NC(=O)N(C)C2=CC(NC3=CC=C(N4CCN(CC(=O)NCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)=NC=N2)=C1Cl", "label": -1}, "6299": {"pro_comp_id": 3882, "tar_path": "FGFR2_P21802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FGFR2_P21802_323_lig_smina_out.mol2", "protac_path": "3882_protac.mol2", "smiles": "COC1=CC(OC)=C(Cl)C(NC(=O)N(C)C2=CC(NC3=CC=C(N4CCN(C(=O)CCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)=NC=N2)=C1Cl", "label": -1}, "6300": {"pro_comp_id": 3883, "tar_path": "FGFR2_P21802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FGFR2_P21802_323_lig_smina_out.mol2", "protac_path": "3883_protac.mol2", "smiles": "COC1=CC(OC)=C(Cl)C(NC(=O)N(C)C2=CC(NC3=CC=C(N4CCN(CC(=O)NCCCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)=NC=N2)=C1Cl", "label": -1}, "6301": {"pro_comp_id": 3884, "tar_path": "FGFR2_P21802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FGFR2_P21802_323_lig_smina_out.mol2", "protac_path": "3884_protac.mol2", "smiles": "COC1=CC(OC)=C(Cl)C(NC(=O)N(C)C2=CC(NC3=CC=C(N4CCN(C(=O)CCCCCCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)=NC=N2)=C1Cl", "label": -1}, "6302": {"pro_comp_id": 3885, "tar_path": "FGFR2_P21802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FGFR2_P21802_323_lig_smina_out.mol2", "protac_path": "3885_protac.mol2", "smiles": "COC1=CC(OC)=C(Cl)C(NC(=O)N(C)C2=CC(NC3=CC=C(N4CCN(CC(=O)NCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)=NC=N2)=C1Cl", "label": -1}, "6303": {"pro_comp_id": 3886, "tar_path": "FGFR2_P21802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FGFR2_P21802_323_lig_smina_out.mol2", "protac_path": "3886_protac.mol2", "smiles": "COC1=CC(OC)=C(Cl)C(NC(=O)N(C)C2=CC(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)=NC=N2)=C1Cl", "label": -1}, "6304": {"pro_comp_id": 3887, "tar_path": "FGFR2_P21802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FGFR2_P21802_323_lig_smina_out.mol2", "protac_path": "3887_protac.mol2", "smiles": "COC1=CC(OC)=C(Cl)C(NC(=O)N(C)C2=CC(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)=NC=N2)=C1Cl", "label": -1}, "6305": {"pro_comp_id": 3887, "tar_path": "FGFR2_P21802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FGFR2_P21802_323_lig_smina_out.mol2", "protac_path": "3887_protac.mol2", "smiles": "COC1=CC(OC)=C(Cl)C(NC(=O)N(C)C2=CC(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)=NC=N2)=C1Cl", "label": -1}, "6306": {"pro_comp_id": 3888, "tar_path": "FGFR2_P21802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FGFR2_P21802_323_lig_smina_out.mol2", "protac_path": "3888_protac.mol2", "smiles": "COC1=CC(OC)=C(Cl)C(NC(=O)N(C)C2=CC(NC3=CC=C(N4CCN(C(=O)CCOCC#CC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)=NC=N2)=C1Cl", "label": -1}, "6307": {"pro_comp_id": 3889, "tar_path": "FGFR2_P21802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FGFR2_P21802_323_lig_smina_out.mol2", "protac_path": "3889_protac.mol2", "smiles": "COC1=CC(OC)=C(Cl)C(NC(=O)N(C)C2=CC(NC3=CC=C(N4CCN(C(=O)C5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)C=C3)=NC=N2)=C1Cl", "label": -1}, "6308": {"pro_comp_id": 3889, "tar_path": "FGFR1_P11362.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FGFR1_P11362_323_lig_smina_out.mol2", "protac_path": "3889_protac.mol2", "smiles": "COC1=CC(OC)=C(Cl)C(NC(=O)N(C)C2=CC(NC3=CC=C(N4CCN(C(=O)C5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)C=C3)=NC=N2)=C1Cl", "label": -1}, "6309": {"pro_comp_id": 3890, "tar_path": "FGFR2_P21802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FGFR2_P21802_323_lig_smina_out.mol2", "protac_path": "3890_protac.mol2", "smiles": "COC1=CC(OC)=C(Cl)C(NC(=O)N(C)C2=CC(NC3=CC=C(N4CCN(C(=O)CCOCCOCCOC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)=NC=N2)=C1Cl", "label": -1}, "6310": {"pro_comp_id": 3891, "tar_path": "FGFR2_P21802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FGFR2_P21802_323_lig_smina_out.mol2", "protac_path": "3891_protac.mol2", "smiles": "COC1=CC(OC)=C(Cl)C(NC(=O)N(C)C2=CC(NC3=CC=C(N4CCN(C(=O)CCOCCOCCOCCOC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)=NC=N2)=C1Cl", "label": -1}, "6311": {"pro_comp_id": 3892, "tar_path": "FGFR2_P21802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FGFR2_P21802_323_lig_smina_out.mol2", "protac_path": "3892_protac.mol2", "smiles": "COC1=CC(OC)=C(Cl)C(NC(=O)N(C)C2=CC(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCNC(=O)C5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)C=C3)=NC=N2)=C1Cl", "label": -1}, "6312": {"pro_comp_id": 3893, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_428_lig_smina_out.mol2", "protac_path": "3893_protac.mol2", "smiles": "O=C(CN1C=C(C2=C(C3=CC=C(Cl)C=C3Cl)C(=O)NC2=O)C2=CC=CC=C21)NCCCOCCCCOCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "6313": {"pro_comp_id": 3894, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_429_lig_smina_out.mol2", "protac_path": "3894_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCOCCCOCCCCNC(=O)C4=CC=C(CN5C(=O)SN(C6=CC=CC7=CC=CC=C67)C5=O)C=C4)=C3C2=O)C(=O)N1", "label": -1}, "6314": {"pro_comp_id": 3895, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_428_lig_smina_out.mol2", "protac_path": "3895_protac.mol2", "smiles": "O=C(CN1C=C(C2=C(C3=CC=C(Cl)C=C3Cl)C(=O)NC2=O)C2=CC=CC=C21)NCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "6315": {"pro_comp_id": 3896, "tar_path": "GSK-3beta_P49841.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GSK-3beta_P49841_429_lig_smina_out.mol2", "protac_path": "3896_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCNC(=O)C4=CC=C(CN5C(=O)SN(C6=CC=CC7=CC=CC=C67)C5=O)C=C4)=C3C2=O)C(=O)N1", "label": -1}, "6316": {"pro_comp_id": 3897, "tar_path": "VEGFR-2_P35968.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "VEGFR-2_P35968_430_lig_smina_out.mol2", "protac_path": "3897_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CCCN4C=C(CNC(=O)C5=CC(OC6=CC=C(NC(=O)NC7=CC=C(Cl)C(C(F)(F)F)=C7)C=C6)=CC=N5)N=N4)=C3C2=O)C(=O)N1", "label": -1}, "6317": {"pro_comp_id": 3897, "tar_path": "EPHB4_P54760.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EPHB4_P54760_430_lig_smina_out.mol2", "protac_path": "3897_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CCCN4C=C(CNC(=O)C5=CC(OC6=CC=C(NC(=O)NC7=CC=C(Cl)C(C(F)(F)F)=C7)C=C6)=CC=N5)N=N4)=C3C2=O)C(=O)N1", "label": -1}, "6318": {"pro_comp_id": 3898, "tar_path": "VEGFR-2_P35968.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "VEGFR-2_P35968_430_lig_smina_out.mol2", "protac_path": "3898_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCN3C=C(CNC(=O)C4=CC(OC5=CC=C(NC(=O)NC6=CC=C(Cl)C(C(F)(F)F)=C6)C=C5)=CC=N4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6319": {"pro_comp_id": 3898, "tar_path": "EPHB4_P54760.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EPHB4_P54760_430_lig_smina_out.mol2", "protac_path": "3898_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCN3C=C(CNC(=O)C4=CC(OC5=CC=C(NC(=O)NC6=CC=C(Cl)C(C(F)(F)F)=C6)C=C5)=CC=N4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6320": {"pro_comp_id": 3899, "tar_path": "FER_P16591.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FER_P16591_66_lig_smina_out.mol2", "protac_path": "3899_protac.mol2", "smiles": "COC1=CC(N2CCC(N3CCN(CCCCCC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": -1}, "6321": {"pro_comp_id": 3900, "tar_path": "FER_P16591.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FER_P16591_66_lig_smina_out.mol2", "protac_path": "3900_protac.mol2", "smiles": "COC1=CC(N2CCC(N3CCN(CCCC#CC4=CC=CC5=C4CC(C4CCC(=O)NC4=O)C5=O)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1", "label": -1}, "6322": {"pro_comp_id": 3901, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_432_lig_smina_out.mol2", "protac_path": "3901_protac.mol2", "smiles": "C[C@H]1CN(C(=O)CCCCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CCN1C1=CC=C(NC2=CC(C3=CC=NC(N4CCN5C(=CC6=C5CC(C)(C)C6)C4=O)=C3CO)=CN(C)C2=O)N=C1", "label": -1}, "6323": {"pro_comp_id": 3902, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_432_lig_smina_out.mol2", "protac_path": "3902_protac.mol2", "smiles": "C[C@H]1CN(C(=O)CCCCCCOCCOCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CCN1C1=CC=C(NC2=CC(C3=CC=NC(N4CCN5C(=CC6=C5CC(C)(C)C6)C4=O)=C3CO)=CN(C)C2=O)N=C1", "label": -1}, "6324": {"pro_comp_id": 3903, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BTK_Q06187_432_lig_smina_out.mol2", "protac_path": "3903_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCCCCCC(=O)N3CCN(C4=CC=C(NC5=CC(C6=CC=NC(N7CCN8C(=CC9=C8CC(C)(C)C9)C7=O)=C6CO)=CN(C)C5=O)N=C4)[C@@H](C)C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6325": {"pro_comp_id": 3904, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_432_lig_smina_out.mol2", "protac_path": "3904_protac.mol2", "smiles": "C[C@H]1CN(CCCCCCOCCOCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CCN1C1=CC=C(NC2=CC(C3=CC=NC(N4CCN5C(=CC6=C5CC(C)(C)C6)C4=O)=C3CO)=CN(C)C2=O)N=C1", "label": -1}, "6326": {"pro_comp_id": 3905, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_432_lig_smina_out.mol2", "protac_path": "3905_protac.mol2", "smiles": "CN1C=C(C2=CC=NC(N3CCN4C(=CC5=C4CC(C)(C)C5)C3=O)=C2CO)C=C(NC2=CC=C(N3CCN(C(=O)CCCCCCOCCOCC(=O)NC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=N2)C1=O", "label": -1}, "6327": {"pro_comp_id": 3906, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_432_lig_smina_out.mol2", "protac_path": "3906_protac.mol2", "smiles": "CN1C=C(C2=CC=NC(N3CCN4C(=CC5=C4CC(C)(C)C5)C3=O)=C2CO)C=C(NC2=CC=C(N3CCN(CCCCCCOCCOCC(=O)NC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=N2)C1=O", "label": -1}, "6328": {"pro_comp_id": 3907, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_432_lig_smina_out.mol2", "protac_path": "3907_protac.mol2", "smiles": "CN1C=C(C2=CC=NC(N3CCN4C(=CC5=C4CC(C)(C)C5)C3=O)=C2CO)C=C(NC2=CC=C(N3CCN(C(=O)CCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=N2)C1=O", "label": -1}, "6329": {"pro_comp_id": 3908, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_432_lig_smina_out.mol2", "protac_path": "3908_protac.mol2", "smiles": "C[C@H]1CN(C(=O)CCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CCN1C1=CC=C(NC2=CC(C3=CC=NC(N4CCN5C(=CC6=C5CC(C)(C)C6)C4=O)=C3CO)=CN(C)C2=O)N=C1", "label": -1}, "6330": {"pro_comp_id": 3909, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_432_lig_smina_out.mol2", "protac_path": "3909_protac.mol2", "smiles": "C[C@H]1CN(C(=O)CCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CCN1C1=CC=C(NC2=CC(C3=CC=NC(N4CCN5C(=CC6=C5CC(C)(C)C6)C4=O)=C3CO)=CN(C)C2=O)N=C1", "label": -1}, "6331": {"pro_comp_id": 3910, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_432_lig_smina_out.mol2", "protac_path": "3910_protac.mol2", "smiles": "C[C@H]1CN(C(=O)CNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CCN1C1=CC=C(NC2=CC(C3=CC=NC(N4CCN5C(=CC6=C5CC(C)(C)C6)C4=O)=C3CO)=CN(C)C2=O)N=C1", "label": -1}, "6332": {"pro_comp_id": 3911, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_432_lig_smina_out.mol2", "protac_path": "3911_protac.mol2", "smiles": "C[C@H]1CN(C(=O)CCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CCN1C1=CC=C(NC2=CC(C3=CC=NC(N4CCN5C(=CC6=C5CC(C)(C)C6)C4=O)=C3CO)=CN(C)C2=O)N=C1", "label": -1}, "6333": {"pro_comp_id": 3912, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BTK_Q06187_432_lig_smina_out.mol2", "protac_path": "3912_protac.mol2", "smiles": "C[C@H]1CN(C(=O)CNC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)CCN1C1=CC=C(NC2=CC(C3=CC=NC(N4CCN5C(=CC6=C5CC(C)(C)C6)C4=O)=C3CO)=CN(C)C2=O)N=C1", "label": -1}, "6334": {"pro_comp_id": 3913, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_432_lig_smina_out.mol2", "protac_path": "3913_protac.mol2", "smiles": "C[C@H]1CN(C(=O)C2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CCN1C1=CC=C(NC2=CC(C3=CC=NC(N4CCN5C(=CC6=C5CC(C)(C)C6)C4=O)=C3CO)=CN(C)C2=O)N=C1", "label": -1}, "6335": {"pro_comp_id": 3914, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_432_lig_smina_out.mol2", "protac_path": "3914_protac.mol2", "smiles": "C[C@H]1CN(C(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CCN1C1=CC=C(NC2=CC(C3=CC=NC(N4CCN5C(=CC6=C5CC(C)(C)C6)C4=O)=C3CO)=CN(C)C2=O)N=C1", "label": -1}, "6336": {"pro_comp_id": 3915, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_432_lig_smina_out.mol2", "protac_path": "3915_protac.mol2", "smiles": "C[C@H]1CN(C(=O)CCCCCCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CCN1C1=CC=C(NC2=CC(C3=CC=NC(N4CCN5C(=CC6=C5CC(C)(C)C6)C4=O)=C3CO)=CN(C)C2=O)N=C1", "label": -1}, "6337": {"pro_comp_id": 3916, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_432_lig_smina_out.mol2", "protac_path": "3916_protac.mol2", "smiles": "C[C@H]1CN(C(=O)CNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CCN1C1=CC=C(NC2=CC(C3=CC=NC(N4CCN5C(=CC6=C5CC(C)(C)C6)C4=O)=C3CO)=CN(C)C2=O)N=C1", "label": -1}, "6369": {"pro_comp_id": 3948, "tar_path": "FoxP3_Q9BZS1.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FoxP3_Q9BZS1_435_lig_smina_out.mol2", "protac_path": "3948_protac.mol2", "smiles": "CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)C(=O)O", "label": -1}, "6370": {"pro_comp_id": 3949, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_90_lig_smina_out.mol2", "war_path": "MDM2_Q00987_436_lig_smina_out.mol2", "protac_path": "3949_protac.mol2", "smiles": "COC1=CC(C(N)=O)=CC=C1NC(=O)[C@H]1[C@H](C2=CC=CC(Cl)=C2F)[C@]2(C(=O)NC3=CC(Cl)=CC=C32)[C@H](CC(C)(C)C)N1C(=O)OCCOCCOCCOCCOC(=O)N1[C@@H](CC(C)(C)C)[C@@]2(C(=O)NC3=CC(Cl)=CC=C32)[C@@H](C2=CC=CC(Cl)=C2F)[C@@H]1C(=O)NC1=CC=C(C(N)=O)C=C1OC", "label": -1}, "6371": {"pro_comp_id": 3950, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ERalpha_P03372_437_lig_smina_out.mol2", "protac_path": "3950_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCOC3=CC=C(N(CC(F)(F)F)S(=O)(=O)C4C[C@@H]5O[C@H]4C(C4=CC=C(O)C=C4)=C5C4=CC=C(O)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6372": {"pro_comp_id": 3951, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ERalpha_P03372_437_lig_smina_out.mol2", "protac_path": "3951_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCOC3=CC=C(N(CC(F)(F)F)S(=O)(=O)C4C[C@@H]5O[C@H]4C(C4=CC=C(OCC6=CC=C([N+](=O)[O-])C=C6)C=C4)=C5C4=CC=C(O)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6373": {"pro_comp_id": 3952, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ERalpha_P03372_437_lig_smina_out.mol2", "protac_path": "3952_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCOC3=CC=C(N(CC(F)(F)F)S(=O)(=O)C4C[C@H]5O[C@@H]4C(C4=CC=C(OCC6=CC=C([N+](=O)[O-])C=C6)C=C4)=C5C4=CC=C(OCC5=CC=C([N+](=O)[O-])C=C5)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6374": {"pro_comp_id": 3953, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ERalpha_P03372_437_lig_smina_out.mol2", "protac_path": "3953_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](OCC4=CC=C([N+](=O)[O-])C=C4)CN3C(=O)[C@@H](NC(=O)CCCCCOC3=CC=C(N(CC(F)(F)F)S(=O)(=O)C4C[C@H]5O[C@@H]4C(C4=CC=C(O)C=C4)=C5C4=CC=C(O)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6375": {"pro_comp_id": 3954, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ERalpha_P03372_437_lig_smina_out.mol2", "protac_path": "3954_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCOC3=CC=C(N(CC(F)(F)F)S(=O)(=O)C4C[C@H]5O[C@@H]4C(C4=CC=C(OCC6=CN=C([N+](=O)[O-])N6C)C=C4)=C5C4=CC=C(O)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6376": {"pro_comp_id": 3955, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ERalpha_P03372_437_lig_smina_out.mol2", "protac_path": "3955_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCOC3=CC=C(N(CC(F)(F)F)S(=O)(=O)C4C[C@@H]5O[C@H]4C(C4=CC=C(OCC6=CN=C([N+](=O)[O-])N6C)C=C4)=C5C4=CC=C(OCC5=CN=C([N+](=O)[O-])N5C)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6377": {"pro_comp_id": 3956, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ERalpha_P03372_437_lig_smina_out.mol2", "protac_path": "3956_protac.mol2", "smiles": "CCN(C1=CC=C(OCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)C=C1)S(=O)(=O)C1C[C@H]2O[C@@H]1C(C1=CC=C(O)C=C1)=C2C1=CC=C(O)C=C1", "label": -1}, "6378": {"pro_comp_id": 3957, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ERalpha_P03372_437_lig_smina_out.mol2", "protac_path": "3957_protac.mol2", "smiles": "CCN(C1=CC=C(OCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)C=C1)S(=O)(=O)C1C[C@H]2O[C@@H]1C(C1=CC=C(O)C=C1)=C2C1=CC=C(O)C=C1", "label": -1}, "6379": {"pro_comp_id": 3958, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ERalpha_P03372_437_lig_smina_out.mol2", "protac_path": "3958_protac.mol2", "smiles": "CCN(C1=CC=C(OCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)C=C1)S(=O)(=O)C1C[C@H]2O[C@@H]1C(C1=CC=C(O)C=C1)=C2C1=CC=C(O)C=C1", "label": -1}, "6380": {"pro_comp_id": 3959, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ERalpha_P03372_437_lig_smina_out.mol2", "protac_path": "3959_protac.mol2", "smiles": "CCN(C1=CC=C(OCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)C=C1)S(=O)(=O)C1C[C@H]2O[C@@H]1C(C1=CC=C(O)C=C1)=C2C1=CC=C(O)C=C1", "label": -1}, "6381": {"pro_comp_id": 3960, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ERalpha_P03372_437_lig_smina_out.mol2", "protac_path": "3960_protac.mol2", "smiles": "CCN(C1=CC=C(OCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)C=C1)S(=O)(=O)C1C[C@H]2O[C@@H]1C(C1=CC=C(O)C=C1)=C2C1=CC=C(O)C=C1", "label": -1}, "6382": {"pro_comp_id": 3961, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ERalpha_P03372_437_lig_smina_out.mol2", "protac_path": "3961_protac.mol2", "smiles": "CCN(C1=CC=C(OCCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)C=C1)S(=O)(=O)C1C[C@H]2O[C@@H]1C(C1=CC=C(O)C=C1)=C2C1=CC=C(O)C=C1", "label": -1}, "6383": {"pro_comp_id": 3962, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ERalpha_P03372_437_lig_smina_out.mol2", "protac_path": "3962_protac.mol2", "smiles": "CCN(C1=CC=C(OCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)C=C1)S(=O)(=O)C1C[C@H]2O[C@@H]1C(C1=CC=C(O)C=C1)=C2C1=CC=C(O)C=C1", "label": -1}, "6384": {"pro_comp_id": 3963, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ERalpha_P03372_437_lig_smina_out.mol2", "protac_path": "3963_protac.mol2", "smiles": "CCN(C1=CC=C(OCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)C=C1)S(=O)(=O)C1C[C@H]2O[C@@H]1C(C1=CC=C(O)C=C1)=C2C1=CC=C(O)C=C1", "label": -1}, "6385": {"pro_comp_id": 3964, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ERalpha_P03372_437_lig_smina_out.mol2", "protac_path": "3964_protac.mol2", "smiles": "CCN(C1=CC=C(OCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)C=C1)S(=O)(=O)C1C[C@H]2O[C@@H]1C(C1=CC=C(O)C=C1)=C2C1=CC=C(O)C=C1", "label": -1}, "6386": {"pro_comp_id": 3965, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ERalpha_P03372_437_lig_smina_out.mol2", "protac_path": "3965_protac.mol2", "smiles": "CCN(C1=CC=C(OCCCCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)S(=O)(=O)C1C[C@H]2O[C@@H]1C(C1=CC=C(O)C=C1)=C2C1=CC=C(O)C=C1", "label": -1}, "6387": {"pro_comp_id": 3966, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ERalpha_P03372_437_lig_smina_out.mol2", "protac_path": "3966_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCOC3=CC=C(N(CC(F)(F)F)S(=O)(=O)C4C[C@H]5O[C@@H]4C(C4=CC=C(O)C=C4)=C5C4=CC=C(O)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6388": {"pro_comp_id": 3967, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ERalpha_P03372_437_lig_smina_out.mol2", "protac_path": "3967_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCOC3=CC=C(N(CC(F)(F)F)S(=O)(=O)C4C[C@H]5O[C@@H]4C(C4=CC=C(O)C=C4)=C5C4=CC=C(O)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6389": {"pro_comp_id": 3968, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ERalpha_P03372_437_lig_smina_out.mol2", "protac_path": "3968_protac.mol2", "smiles": "COC1=CC=C(N(CC(F)(F)F)S(=O)(=O)C2C[C@H]3O[C@@H]2C(C2=CC=C(OCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C2)=C3C2=CC=C(O)C=C2)C=C1", "label": -1}, "6390": {"pro_comp_id": 3969, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ERalpha_P03372_437_lig_smina_out.mol2", "protac_path": "3969_protac.mol2", "smiles": "COC1=CC=C(N(CC(F)(F)F)S(=O)(=O)C2C[C@H]3O[C@@H]2C(C2=CC=C(OCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C2)=C3C2=CC=C(O)C=C2)C=C1", "label": -1}, "6391": {"pro_comp_id": 3970, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ERalpha_P03372_437_lig_smina_out.mol2", "protac_path": "3970_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCOC1=CC=C(N(CC(F)(F)F)S(=O)(=O)C2CC3O[C@H]2C(C2=CC=C(O)C=C2)=C3C2=CC=C(O)C=C2)C=C1", "label": -1}, "6392": {"pro_comp_id": 3971, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ERalpha_P03372_437_lig_smina_out.mol2", "protac_path": "3971_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCOC1=CC=C(N(CC(F)(F)F)S(=O)(=O)C2CC3O[C@H]2C(C2=CC=C(O)C=C2)=C3C2=CC=C(O)C=C2)C=C1", "label": -1}, "6393": {"pro_comp_id": 3972, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ERalpha_P03372_437_lig_smina_out.mol2", "protac_path": "3972_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCCOC1=CC=C(N(CC(F)(F)F)S(=O)(=O)C2CC3O[C@H]2C(C2=CC=C(O)C=C2)=C3C2=CC=C(O)C=C2)C=C1", "label": -1}, "6394": {"pro_comp_id": 3973, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_74_lig_smina_out.mol2", "war_path": "ERalpha_P03372_437_lig_smina_out.mol2", "protac_path": "3973_protac.mol2", "smiles": "O=C(COC1=CC=C(C2CCC(=O)NC2=O)C=C1)NCCNC(=O)COC1=CC=C(N(CC(F)(F)F)S(=O)(=O)C2CC3O[C@H]2C(C2=CC=C(O)C=C2)=C3C2=CC=C(O)C=C2)C=C1", "label": -1}, "6395": {"pro_comp_id": 3974, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_74_lig_smina_out.mol2", "war_path": "ERalpha_P03372_437_lig_smina_out.mol2", "protac_path": "3974_protac.mol2", "smiles": "O=C(COC1=CC=C(C2CCC(=O)NC2=O)C=C1)NCCCCNC(=O)COC1=CC=C(N(CC(F)(F)F)S(=O)(=O)C2CC3O[C@H]2C(C2=CC=C(O)C=C2)=C3C2=CC=C(O)C=C2)C=C1", "label": -1}, "6396": {"pro_comp_id": 3975, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_74_lig_smina_out.mol2", "war_path": "ERalpha_P03372_437_lig_smina_out.mol2", "protac_path": "3975_protac.mol2", "smiles": "O=C(COC1=CC=C(C2CCC(=O)NC2=O)C=C1)NCCCCCCNC(=O)COC1=CC=C(N(CC(F)(F)F)S(=O)(=O)C2CC3O[C@H]2C(C2=CC=C(O)C=C2)=C3C2=CC=C(O)C=C2)C=C1", "label": -1}, "6397": {"pro_comp_id": 3976, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "3976_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@H]3C[C@H](O)CN3C(=O)[C@H](NC(=O)CCCC(=O)NCCCNC(=O)C[C@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6398": {"pro_comp_id": 3977, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_91_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "3977_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=CC(OCC(=O)NCCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)=C2)=CS1)C1CCCCC1", "label": -1}, "6399": {"pro_comp_id": 3978, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "3978_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCOCCOCCNC(=O)CNC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "6400": {"pro_comp_id": 3979, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "3979_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCOCCOCCOCCNC(=O)CNC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "6401": {"pro_comp_id": 3980, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "3980_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCC(=O)NCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6402": {"pro_comp_id": 3981, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_91_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "3981_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=CC(OCC(=O)NCCOCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)=C2)=CS1)C1CCCCC1", "label": -1}, "6403": {"pro_comp_id": 3982, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_318_lig_smina_out.mol2", "protac_path": "3982_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(N4CCC(N[C@H]5CC[C@@H](NC6=NC=NC7=C6C(C(=O)C6=CC=C(OC8=CC=CC=C8)C=C6Cl)=C[NH]7)CC5)CC4)C=C3C2=O)C(=O)N1", "label": -1}, "6404": {"pro_comp_id": 3983, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_318_lig_smina_out.mol2", "protac_path": "3983_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(N4CCC(N5CCC(N[C@H]6CC[C@@H](NC7=NC=NC8=C7C(C(=O)C7=CC=C(OC9=CC=CC=C9)C=C7Cl)=C[NH]8)CC6)CC5)CC4)C=C3C2=O)C(=O)N1", "label": -1}, "6405": {"pro_comp_id": 3984, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_318_lig_smina_out.mol2", "protac_path": "3984_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(N4CCC(N5CCC(CN[C@H]6CC[C@@H](NC7=NC=NC8=C7C(C(=O)C7=CC=C(OC9=CC=CC=C9)C=C7Cl)=C[NH]8)CC6)CC5)CC4)C=C3C2=O)C(=O)N1", "label": -1}, "6406": {"pro_comp_id": 3985, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_318_lig_smina_out.mol2", "protac_path": "3985_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(N4CC(N5CCC(CN[C@H]6CC[C@@H](NC7=NC=NC8=C7C(C(=O)C7=CC=C(OC9=CC=CC=C9)C=C7Cl)=C[NH]8)CC6)CC5)C4)C=C3C2=O)C(=O)N1", "label": -1}, "6407": {"pro_comp_id": 3986, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_318_lig_smina_out.mol2", "protac_path": "3986_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(N4CCC(CN5CCC(CN[C@H]6CC[C@@H](NC7=NC=NC8=C7C(C(=O)C7=CC=C(OC9=CC=CC=C9)C=C7Cl)=C[NH]8)CC6)CC5)CC4)C=C3C2=O)C(=O)N1", "label": -1}, "6408": {"pro_comp_id": 3987, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_318_lig_smina_out.mol2", "protac_path": "3987_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(N4CCC(CCN5CCC(CN[C@H]6CC[C@@H](NC7=NC=NC8=C7C(C(=O)C7=CC=C(OC9=CC=CC=C9)C=C7Cl)=C[NH]8)CC6)CC5)CC4)C=C3C2=O)C(=O)N1", "label": -1}, "6409": {"pro_comp_id": 3988, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_318_lig_smina_out.mol2", "protac_path": "3988_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(N4CCC(CC(=O)N5CCC(CN[C@H]6CC[C@@H](NC7=NC=NC8=C7C(C(=O)C7=CC=C(OC9=CC=CC=C9)C=C7Cl)=C[NH]8)CC6)CC5)CC4)C=C3C2=O)C(=O)N1", "label": -1}, "6410": {"pro_comp_id": 3989, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_318_lig_smina_out.mol2", "protac_path": "3989_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(N4CCC(CN5CCC(N[C@H]6CC[C@@H](NC7=NC=NC8=C7C(C(=O)C7=CC=C(OC9=CC=CC=C9)C=C7Cl)=C[NH]8)CC6)CC5)CC4)C=C3C2=O)C(=O)N1", "label": -1}, "6411": {"pro_comp_id": 3990, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_318_lig_smina_out.mol2", "protac_path": "3990_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(N4CCC(CN5CCCC(N[C@H]6CC[C@@H](NC7=NC=NC8=C7C(C(=O)C7=CC=C(OC9=CC=CC=C9)C=C7Cl)=C[NH]8)CC6)C5)CC4)C=C3C2=O)C(=O)N1", "label": -1}, "6412": {"pro_comp_id": 3991, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_318_lig_smina_out.mol2", "protac_path": "3991_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(N4CCC(CN5CCC(CCN[C@H]6CC[C@@H](NC7=NC=NC8=C7C(C(=O)C7=CC=C(OC9=CC=CC=C9)C=C7Cl)=C[NH]8)CC6)CC5)CC4)C=C3C2=O)C(=O)N1", "label": -1}, "6413": {"pro_comp_id": 3992, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_318_lig_smina_out.mol2", "protac_path": "3992_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(N4CCC(CN5CC(N[C@H]6CC[C@@H](NC7=NC=NC8=C7C(C(=O)C7=CC=C(OC9=CC=CC=C9)C=C7Cl)=C[NH]8)CC6)C5)CC4)C=C3C2=O)C(=O)N1", "label": -1}, "6414": {"pro_comp_id": 3993, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_318_lig_smina_out.mol2", "protac_path": "3993_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(N4CCC(CN5CC(CN[C@H]6CC[C@@H](NC7=NC=NC8=C7C(C(=O)C7=CC=C(OC9=CC=CC=C9)C=C7Cl)=C[NH]8)CC6)C5)CC4)C=C3C2=O)C(=O)N1", "label": -1}, "6415": {"pro_comp_id": 3994, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_318_lig_smina_out.mol2", "protac_path": "3994_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(N4CCC(CN5CCC(C(=O)N[C@H]6CC[C@@H](NC7=NC=NC8=C7C(C(=O)C7=CC=C(OC9=CC=CC=C9)C=C7Cl)=C[NH]8)CC6)CC5)CC4)C=C3C2=O)C(=O)N1", "label": -1}, "6416": {"pro_comp_id": 3995, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_318_lig_smina_out.mol2", "protac_path": "3995_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(N4CCC(CN5CCC(CC(=O)N[C@H]6CC[C@@H](NC7=NC=NC8=C7C(C(=O)C7=CC=C(OC9=CC=CC=C9)C=C7Cl)=C[NH]8)CC6)CC5)CC4)C=C3C2=O)C(=O)N1", "label": -1}, "6417": {"pro_comp_id": 3996, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_318_lig_smina_out.mol2", "protac_path": "3996_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(N4CCC(F)(CN5CCC(CC(=O)N[C@H]6CC[C@@H](NC7=NC=NC8=C7C(C(=O)C7=CC=C(OC9=CC=CC=C9)C=C7Cl)=C[NH]8)CC6)CC5)CC4)C=C3C2=O)C(=O)N1", "label": -1}, "6418": {"pro_comp_id": 3997, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_318_lig_smina_out.mol2", "protac_path": "3997_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(N4CCC(CCN5CCC(CC(=O)N[C@H]6CC[C@@H](NC7=NC=NC8=C7C(C(=O)C7=CC=C(OC9=CC=CC=C9)C=C7Cl)=C[NH]8)CC6)CC5)CC4)C=C3C2=O)C(=O)N1", "label": -1}, "6419": {"pro_comp_id": 3998, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_318_lig_smina_out.mol2", "protac_path": "3998_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC(F)=C(N4CCC(CCN5CCC(CC(=O)N[C@H]6CC[C@@H](NC7=NC=NC8=C7C(C(=O)C7=CC=C(OC9=CC=CC=C9)C=C7Cl)=C[NH]8)CC6)CC5)CC4)C=C3C2=O)C(=O)N1", "label": -1}, "6420": {"pro_comp_id": 3999, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BTK_Q06187_318_lig_smina_out.mol2", "protac_path": "3999_protac.mol2", "smiles": "O=C1CCC(N2CC3=CC=C(N4CCC(CCN5CCC(CC(=O)N[C@H]6CC[C@@H](NC7=NC=NC8=C7C(C(=O)C7=CC=C(OC9=CC=CC=C9)C=C7Cl)=C[NH]8)CC6)CC5)CC4)C=C3C2=O)C(=O)N1", "label": -1}, "6421": {"pro_comp_id": 4000, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BTK_Q06187_318_lig_smina_out.mol2", "protac_path": "4000_protac.mol2", "smiles": "O=C1CCC(N2CC3=CC(N4CCC(CCN5CCC(CC(=O)N[C@H]6CC[C@@H](NC7=NC=NC8=C7C(C(=O)C7=CC=C(OC9=CC=CC=C9)C=C7Cl)=C[NH]8)CC6)CC5)CC4)=CC=C3C2=O)C(=O)N1", "label": -1}, "6422": {"pro_comp_id": 4001, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BTK_Q06187_318_lig_smina_out.mol2", "protac_path": "4001_protac.mol2", "smiles": "O=C1CCC(N2CC3=CC(N4CCC(CCN5CCC(CC(=O)N[C@H]6CC[C@@H](NC7=NC=NC8=C7C(C(=O)C7=CC=C(OC9=CC=CC=C9)C=C7Cl)=C[NH]8)CC6)CC5)CC4)=C(F)C=C3C2=O)C(=O)N1", "label": -1}, "6423": {"pro_comp_id": 4002, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "4002_protac.mol2", "smiles": "COC1=CC(N2CCN(C(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2S(=O)(=O)C(C)C)=N1", "label": -1}, "6424": {"pro_comp_id": 4003, "tar_path": "TDP-43_Q13148.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TDP-43_Q13148_439_lig_smina_out.mol2", "protac_path": "4003_protac.mol2", "smiles": "CN(C)C1=CC=C(C2=NC3=CC=C(OCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3S2)C=C1", "label": -1}, "6425": {"pro_comp_id": 4004, "tar_path": "TDP-43_Q13148.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TDP-43_Q13148_439_lig_smina_out.mol2", "protac_path": "4004_protac.mol2", "smiles": "CN(C)C1=CC=C(C2=NC3=CC=C(OCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3S2)C=C1", "label": -1}, "6426": {"pro_comp_id": 4005, "tar_path": "TDP-43_Q13148.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TDP-43_Q13148_439_lig_smina_out.mol2", "protac_path": "4005_protac.mol2", "smiles": "CN(C)C1=CC=C(C2=NC3=CC=C(OCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3S2)C=C1", "label": -1}, "6427": {"pro_comp_id": 4006, "tar_path": "TDP-43_Q13148.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "TDP-43_Q13148_439_lig_smina_out.mol2", "protac_path": "4006_protac.mol2", "smiles": "CN(C)C1=CC=C(C2=NC3=CC=C(OCCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3S2)C=C1", "label": -1}, "6428": {"pro_comp_id": 4007, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "GPX4_P36969_440_lig_smina_out.mol2", "protac_path": "4007_protac.mol2", "smiles": "COC(=O)[C@H]1CC2=C([NH]C3=CC=CC=C23)[C@H](C2=CC=C(C(=O)NCC3=CN(CCOCCOCCNC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)N1C(=O)CCl", "label": -1}, "6429": {"pro_comp_id": 4008, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "GPX4_P36969_440_lig_smina_out.mol2", "protac_path": "4008_protac.mol2", "smiles": "COC(=O)[C@H]1CC2=C([NH]C3=CC=CC=C23)[C@H](C2=CC=C(C(=O)NCC3=CN(CCOCCOCCOCCNC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)N1C(=O)CCl", "label": -1}, "6430": {"pro_comp_id": 4009, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "GPX4_P36969_440_lig_smina_out.mol2", "protac_path": "4009_protac.mol2", "smiles": "COC(=O)[C@H]1CC2=C([NH]C3=CC=CC=C23)[C@H](C2=CC=C(C(=O)NCC3=CN(CCOCCOCCOCCOCCNC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)N1C(=O)CCl", "label": -1}, "6431": {"pro_comp_id": 4010, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "GPX4_P36969_440_lig_smina_out.mol2", "protac_path": "4010_protac.mol2", "smiles": "COC(=O)[C@H]1CC2=C([NH]C3=CC=CC=C23)[C@H](C2=CC=C(C(=O)NCC3=CN(CCOCCOCCOCCOCCOCCNC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)N1C(=O)CCl", "label": -1}, "6432": {"pro_comp_id": 4011, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GPX4_P36969_440_lig_smina_out.mol2", "protac_path": "4011_protac.mol2", "smiles": "COC(=O)[C@H]1CC2=C([NH]C3=CC=CC=C23)[C@H](C2=CC=C(C(=O)NCC3=CN(CCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)N1C(=O)CCl", "label": -1}, "6433": {"pro_comp_id": 4012, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GPX4_P36969_440_lig_smina_out.mol2", "protac_path": "4012_protac.mol2", "smiles": "COC(=O)[C@H]1CC2=C([NH]C3=CC=CC=C23)[C@H](C2=CC=C(C(=O)NCC3=CN(CCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)N1C(=O)CCl", "label": -1}, "6434": {"pro_comp_id": 4013, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GPX4_P36969_440_lig_smina_out.mol2", "protac_path": "4013_protac.mol2", "smiles": "COC(=O)[C@H]1CC2=C([NH]C3=CC=CC=C23)[C@H](C2=CC=C(C(=O)NCC3=CN(CCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)N1C(=O)CCl", "label": -1}, "6435": {"pro_comp_id": 4014, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GPX4_P36969_440_lig_smina_out.mol2", "protac_path": "4014_protac.mol2", "smiles": "COC(=O)[C@H]1CC2=C([NH]C3=CC=CC=C23)[C@H](C2=CC=C(C(=O)NCC3=CN(CCOCCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)N1C(=O)CCl", "label": -1}, "6436": {"pro_comp_id": 4015, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "GPX4_P36969_440_lig_smina_out.mol2", "protac_path": "4015_protac.mol2", "smiles": "COC(=O)[C@H]1CC2=C([NH]C3=CC=CC=C23)[C@H](C2=CC=C(C(=O)NCC3=CN(CCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)N=N3)C=C2)N1C(=O)CCl", "label": -1}, "6437": {"pro_comp_id": 4016, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "GPX4_P36969_440_lig_smina_out.mol2", "protac_path": "4016_protac.mol2", "smiles": "COC(=O)[C@H]1CC2=C([NH]C3=CC=CC=C23)[C@H](C2=CC=C(C(=O)NCC3=CN(CCOCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)N=N3)C=C2)N1C(=O)CCl", "label": -1}, "6438": {"pro_comp_id": 4017, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "GPX4_P36969_440_lig_smina_out.mol2", "protac_path": "4017_protac.mol2", "smiles": "COC(=O)[C@H]1CC2=C([NH]C3=CC=CC=C23)[C@H](C2=CC=C(C(=O)NCC3=CN(CCOCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)N=N3)C=C2)N1C(=O)CCl", "label": -1}, "6439": {"pro_comp_id": 4018, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "GPX4_P36969_440_lig_smina_out.mol2", "protac_path": "4018_protac.mol2", "smiles": "COC(=O)[C@H]1CC2=C([NH]C3=CC=CC=C23)[C@H](C2=CC=C(C(=O)NCC3=CN(CCOCCOCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)N=N3)C=C2)N1C(=O)CCl", "label": -1}, "6440": {"pro_comp_id": 4019, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "GPX4_P36969_440_lig_smina_out.mol2", "protac_path": "4019_protac.mol2", "smiles": "COC(=O)[C@H]1CC2=C([NH]C3=CC=CC=C23)[C@H](C2=CC=C(C(=O)N3CCN(CCCCCCCNC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)N1C(=O)CCl", "label": -1}, "6441": {"pro_comp_id": 4020, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "GPX4_P36969_440_lig_smina_out.mol2", "protac_path": "4020_protac.mol2", "smiles": "COC(=O)[C@H]1CC2=C([NH]C3=CC=CC=C23)[C@H](C2=CC=C(C(=O)N3CCN(CCCCCCCCCNC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)N1C(=O)CCl", "label": -1}, "6442": {"pro_comp_id": 4021, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "GPX4_P36969_440_lig_smina_out.mol2", "protac_path": "4021_protac.mol2", "smiles": "COC(=O)[C@H]1CC2=C([NH]C3=CC=CC=C23)[C@H](C2=CC=C(C(=O)N3CCN(CCCCCCCCCCCNC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)N1C(=O)CCl", "label": -1}, "6443": {"pro_comp_id": 4022, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "GPX4_P36969_440_lig_smina_out.mol2", "protac_path": "4022_protac.mol2", "smiles": "COC(=O)[C@H]1CC2=C([NH]C3=CC=CC=C23)[C@H](C2=CC=C(C(=O)N3CCN(CCCCCCCCCCCCNC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)N1C(=O)CCl", "label": -1}, "6444": {"pro_comp_id": 4023, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "GPX4_P36969_440_lig_smina_out.mol2", "protac_path": "4023_protac.mol2", "smiles": "COC(=O)[C@H]1CC2=C([NH]C3=CC=CC=C23)[C@H](C2=CC=C(C(=O)N3CCN(CCCCCCCCCCCCCNC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)N1C(=O)CCl", "label": -1}, "6445": {"pro_comp_id": 4024, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "GPX4_P36969_440_lig_smina_out.mol2", "protac_path": "4024_protac.mol2", "smiles": "COC(=O)[C@H]1CC2=C([NH]C3=CC=CC=C23)[C@H](C2=CC=C(C(=O)N3CCN(CCCCCCCCCCCCCCNC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)N1C(=O)CCl", "label": -1}, "6446": {"pro_comp_id": 4025, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GPX4_P36969_440_lig_smina_out.mol2", "protac_path": "4025_protac.mol2", "smiles": "COC(=O)[C@H]1CC2=C([NH]C3=CC=CC=C23)[C@H](C2=CC=C(C(=O)N3CCN(CCCCCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)N1C(=O)CCl", "label": -1}, "6447": {"pro_comp_id": 4026, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GPX4_P36969_440_lig_smina_out.mol2", "protac_path": "4026_protac.mol2", "smiles": "COC(=O)[C@H]1CC2=C([NH]C3=CC=CC=C23)[C@H](C2=CC=C(C(=O)N3CCN(CCCCCCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)N1C(=O)CCl", "label": -1}, "6448": {"pro_comp_id": 4027, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GPX4_P36969_440_lig_smina_out.mol2", "protac_path": "4027_protac.mol2", "smiles": "COC(=O)[C@H]1CC2=C([NH]C3=CC=CC=C23)[C@H](C2=CC=C(C(=O)N3CCN(CCCCCCCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)N1C(=O)CCl", "label": -1}, "6449": {"pro_comp_id": 4028, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GPX4_P36969_440_lig_smina_out.mol2", "protac_path": "4028_protac.mol2", "smiles": "COC(=O)[C@H]1CC2=C([NH]C3=CC=CC=C23)[C@H](C2=CC=C(C(=O)N3CCN(CCCCCCCCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)N1C(=O)CCl", "label": -1}, "6450": {"pro_comp_id": 4029, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "GPX4_P36969_440_lig_smina_out.mol2", "protac_path": "4029_protac.mol2", "smiles": "COC(=O)[C@H]1CC2=C([NH]C3=CC=CC=C23)[C@H](C2=CC=C(C(=O)N3CCC(N4CCN(CCCCCCCCCNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)CC4)CC3)C=C2)N1C(=O)CCl", "label": -1}, "6451": {"pro_comp_id": 4030, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GPX4_P36969_440_lig_smina_out.mol2", "protac_path": "4030_protac.mol2", "smiles": "COC(=O)[C@H]1CC2=C([NH]C3=CC=CC=C23)[C@H](C2=CC=C(C(=O)N3CCC(CN4CCN(CCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)C=C2)N1C(=O)CCl", "label": -1}, "6452": {"pro_comp_id": 4031, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GPX4_P36969_440_lig_smina_out.mol2", "protac_path": "4031_protac.mol2", "smiles": "COC(=O)[C@H]1CC2=C([NH]C3=CC=CC=C23)[C@H](C2=CC=C(C(=O)N3CCC(CN4CCN(CCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)C=C2)N1C(=O)CCl", "label": -1}, "6453": {"pro_comp_id": 4032, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GPX4_P36969_440_lig_smina_out.mol2", "protac_path": "4032_protac.mol2", "smiles": "COC(=O)[C@H]1CC2=C([NH]C3=CC=CC=C23)[C@H](C2=CC=C(C(=O)N3CCC(CN4CCN(CCCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)C=C2)N1C(=O)CCl", "label": -1}, "6454": {"pro_comp_id": 4033, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_441_lig_smina_out.mol2", "protac_path": "4033_protac.mol2", "smiles": "COC1=CC=C(C(=O)O)C=C1OCC1=CC=C(C(=O)NCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "6455": {"pro_comp_id": 4033, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_441_lig_smina_out.mol2", "protac_path": "4033_protac.mol2", "smiles": "COC1=CC=C(C(=O)O)C=C1OCC1=CC=C(C(=O)NCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "6456": {"pro_comp_id": 4034, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_441_lig_smina_out.mol2", "protac_path": "4034_protac.mol2", "smiles": "COC1=CC=C(C(=O)O)C=C1OCC1=CC=C(C(=O)NCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "6457": {"pro_comp_id": 4034, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_441_lig_smina_out.mol2", "protac_path": "4034_protac.mol2", "smiles": "COC1=CC=C(C(=O)O)C=C1OCC1=CC=C(C(=O)NCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "6458": {"pro_comp_id": 4035, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_441_lig_smina_out.mol2", "protac_path": "4035_protac.mol2", "smiles": "COC1=CC=C(C(=O)O)C=C1OCC1=CC=C(C(=O)NCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "6459": {"pro_comp_id": 4035, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_441_lig_smina_out.mol2", "protac_path": "4035_protac.mol2", "smiles": "COC1=CC=C(C(=O)O)C=C1OCC1=CC=C(C(=O)NCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "6460": {"pro_comp_id": 4036, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_441_lig_smina_out.mol2", "protac_path": "4036_protac.mol2", "smiles": "COC1=CC=C(C(=O)O)C=C1OCC1=CC=C(C(=O)NCCCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "6461": {"pro_comp_id": 4036, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_441_lig_smina_out.mol2", "protac_path": "4036_protac.mol2", "smiles": "COC1=CC=C(C(=O)O)C=C1OCC1=CC=C(C(=O)NCCCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "6462": {"pro_comp_id": 4037, "tar_path": "Mitochondrial_Q8N4E7.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "Mitochondrial_Q8N4E7_442_lig_smina_out.mol2", "protac_path": "4037_protac.mol2", "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)NCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C", "label": -1}, "6463": {"pro_comp_id": 4038, "tar_path": "Mitochondrial_Q8N4E7.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "Mitochondrial_Q8N4E7_442_lig_smina_out.mol2", "protac_path": "4038_protac.mol2", "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)NCCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C", "label": -1}, "6464": {"pro_comp_id": 4039, "tar_path": "Mitochondrial_Q8N4E7.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "Mitochondrial_Q8N4E7_442_lig_smina_out.mol2", "protac_path": "4039_protac.mol2", "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)NCCCCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C", "label": -1}, "6465": {"pro_comp_id": 4040, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "GPX4_P36969_443_lig_smina_out.mol2", "protac_path": "4040_protac.mol2", "smiles": "CC1=C([N+](=O)[O-])C(C(=O)N2CCN(C(C3=CC=C(Cl)C=C3)C3=CC=C(OCC(=O)N4CCN(CCCCCCCNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)CC2)=NO1", "label": -1}, "6466": {"pro_comp_id": 4041, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "GPX4_P36969_443_lig_smina_out.mol2", "protac_path": "4041_protac.mol2", "smiles": "CC1=C([N+](=O)[O-])C(C(=O)N2CCN(C(C3=CC=C(Cl)C=C3)C3=CC=C(OCC(=O)N4CCN(CCCCCCCCNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)CC2)=NO1", "label": -1}, "6467": {"pro_comp_id": 4042, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "GPX4_P36969_443_lig_smina_out.mol2", "protac_path": "4042_protac.mol2", "smiles": "CC1=C([N+](=O)[O-])C(C(=O)N2CCN(C(C3=CC=C(Cl)C=C3)C3=CC=C(OCC(=O)N4CCN(CCCCCCCCCNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)CC2)=NO1", "label": -1}, "6468": {"pro_comp_id": 4043, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "GPX4_P36969_443_lig_smina_out.mol2", "protac_path": "4043_protac.mol2", "smiles": "CC1=C([N+](=O)[O-])C(C(=O)N2CCN(C(C3=CC=C(Cl)C=C3)C3=CC=C(OCC(=O)N4CCN(CCCCCCCCCCNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)CC2)=NO1", "label": -1}, "6469": {"pro_comp_id": 4044, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "GPX4_P36969_443_lig_smina_out.mol2", "protac_path": "4044_protac.mol2", "smiles": "CC1=C([N+](=O)[O-])C(C(=O)N2CCN(C(C3=CC=C(Cl)C=C3)C3=CC=C(OCC(=O)N4CCN(CCCCCCCCCCCNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)CC2)=NO1", "label": -1}, "6470": {"pro_comp_id": 4045, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "GPX4_P36969_443_lig_smina_out.mol2", "protac_path": "4045_protac.mol2", "smiles": "CC1=C([N+](=O)[O-])C(C(=O)N2CCN(C(C3=CC=C(Cl)C=C3)C3=CC=C(OCC(=O)N4CCN(CCCCCCCCCCCCNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)CC2)=NO1", "label": -1}, "6471": {"pro_comp_id": 4046, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "GPX4_P36969_443_lig_smina_out.mol2", "protac_path": "4046_protac.mol2", "smiles": "CC1=C([N+](=O)[O-])C(C(=O)N2CCN(C(C3=CC=C(Cl)C=C3)C3=CC=C(OCC(=O)N4CCN(CCCCCCCCCCCCCNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)CC2)=NO1", "label": -1}, "6472": {"pro_comp_id": 4047, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "GPX4_P36969_443_lig_smina_out.mol2", "protac_path": "4047_protac.mol2", "smiles": "CC1=C([N+](=O)[O-])C(C(=O)N2CCN(C(C3=CC=C(Cl)C=C3)C3=CC=C(OCC(=O)N4CCN(CCCCCCCCCCCCCCNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)CC2)=NO1", "label": -1}, "6473": {"pro_comp_id": 4048, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GPX4_P36969_443_lig_smina_out.mol2", "protac_path": "4048_protac.mol2", "smiles": "CC1=C([N+](=O)[O-])C(C(=O)N2CCN(C(C3=CC=C(Cl)C=C3)C3=CC=C(OCC(=O)N4CCN(CCCCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)CC2)=NO1", "label": -1}, "6474": {"pro_comp_id": 4049, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GPX4_P36969_443_lig_smina_out.mol2", "protac_path": "4049_protac.mol2", "smiles": "CC1=C([N+](=O)[O-])C(C(=O)N2CCN(C(C3=CC=C(Cl)C=C3)C3=CC=C(OCC(=O)N4CCC(CN5CCN(CCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)C=C3)CC2)=NO1", "label": -1}, "6475": {"pro_comp_id": 4050, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GPX4_P36969_443_lig_smina_out.mol2", "protac_path": "4050_protac.mol2", "smiles": "CC1=C([N+](=O)[O-])C(C(=O)N2CCN(C(C3=CC=C(Cl)C=C3)C3=CC=C(OCC(=O)N4CCC(CN5CCN(CCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)C=C3)CC2)=NO1", "label": -1}, "6476": {"pro_comp_id": 4051, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GPX4_P36969_443_lig_smina_out.mol2", "protac_path": "4051_protac.mol2", "smiles": "CC1=C([N+](=O)[O-])C(C(=O)N2CCN(C(C3=CC=C(Cl)C=C3)C3=CC=C(OCC(=O)N4CCC(CN5CCN(CCCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)C=C3)CC2)=NO1", "label": -1}, "6477": {"pro_comp_id": 4052, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GPX4_P36969_443_lig_smina_out.mol2", "protac_path": "4052_protac.mol2", "smiles": "CC1=C([N+](=O)[O-])C(C(=O)N2CCN(C(C3=CC=C(Cl)C=C3)C3=CC=C(OCC(=O)N4CCC(CN5CCN(CCCCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)C=C3)CC2)=NO1", "label": -1}, "6478": {"pro_comp_id": 4053, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GPX4_P36969_443_lig_smina_out.mol2", "protac_path": "4053_protac.mol2", "smiles": "CC1=C([N+](=O)[O-])C(C(=O)N2CCN(C(C3=CC=C(Cl)C=C3)C3=CC=C(OCC(=O)N4CCC(CN5CCN(CCCCCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)C=C3)CC2)=NO1", "label": -1}, "6479": {"pro_comp_id": 4054, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GPX4_P36969_443_lig_smina_out.mol2", "protac_path": "4054_protac.mol2", "smiles": "CC1=C([N+](=O)[O-])C(C(=O)N2CCN(C(C3=CC=C(Cl)C=C3)C3=CC=C(OCC(=O)N4CCC(CN5CCC(CN6CCN(C7=CC=CC8=C7C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)CC4)C=C3)CC2)=NO1", "label": -1}, "6480": {"pro_comp_id": 4055, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GPX4_P36969_443_lig_smina_out.mol2", "protac_path": "4055_protac.mol2", "smiles": "CC1=C([N+](=O)[O-])C(C(=O)N2CCN(C(C3=CC=C(Cl)C=C3)C3=CC=C(OCC(=O)N4CCC(CN5CCC(CN6CCC(NC7=CC=CC8=C7C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)CC4)C=C3)CC2)=NO1", "label": -1}, "6481": {"pro_comp_id": 4056, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD3_BD2_Q15059_444_lig_smina_out.mol2", "protac_path": "4056_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CN(CC(=O)NCCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=CC=C3N12", "label": -1}, "6482": {"pro_comp_id": 4056, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD3_BD2_Q15059_444_lig_smina_out.mol2", "protac_path": "4056_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CN(CC(=O)NCCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=CC=C3N12", "label": -1}, "6483": {"pro_comp_id": 4056, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD2_BD2_P25440_444_lig_smina_out.mol2", "protac_path": "4056_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CN(CC(=O)NCCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=CC=C3N12", "label": -1}, "6484": {"pro_comp_id": 4056, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD2_BD2_P25440_444_lig_smina_out.mol2", "protac_path": "4056_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CN(CC(=O)NCCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=CC=C3N12", "label": -1}, "6485": {"pro_comp_id": 4056, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_BD1_O60885_444_lig_smina_out.mol2", "protac_path": "4056_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CN(CC(=O)NCCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=CC=C3N12", "label": -1}, "6486": {"pro_comp_id": 4056, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_BD1_O60885_444_lig_smina_out.mol2", "protac_path": "4056_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CN(CC(=O)NCCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=CC=C3N12", "label": -1}, "6489": {"pro_comp_id": 4057, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD3_BD2_Q15059_444_lig_smina_out.mol2", "protac_path": "4057_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CN(CC(=O)NCCCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=CC=C3N12", "label": -1}, "6490": {"pro_comp_id": 4057, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD3_BD2_Q15059_444_lig_smina_out.mol2", "protac_path": "4057_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CN(CC(=O)NCCCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=CC=C3N12", "label": -1}, "6491": {"pro_comp_id": 4057, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD2_BD2_P25440_444_lig_smina_out.mol2", "protac_path": "4057_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CN(CC(=O)NCCCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=CC=C3N12", "label": -1}, "6492": {"pro_comp_id": 4057, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD2_BD2_P25440_444_lig_smina_out.mol2", "protac_path": "4057_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CN(CC(=O)NCCCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=CC=C3N12", "label": -1}, "6493": {"pro_comp_id": 4057, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_BD1_O60885_444_lig_smina_out.mol2", "protac_path": "4057_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CN(CC(=O)NCCCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=CC=C3N12", "label": -1}, "6494": {"pro_comp_id": 4057, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_BD1_O60885_444_lig_smina_out.mol2", "protac_path": "4057_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CN(CC(=O)NCCCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=CC=C3N12", "label": -1}, "6497": {"pro_comp_id": 4058, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD3_BD2_Q15059_444_lig_smina_out.mol2", "protac_path": "4058_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CN(CC(=O)NCCCCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=CC=C3N12", "label": -1}, "6498": {"pro_comp_id": 4058, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD3_BD2_Q15059_444_lig_smina_out.mol2", "protac_path": "4058_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CN(CC(=O)NCCCCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=CC=C3N12", "label": -1}, "6499": {"pro_comp_id": 4058, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD2_BD2_P25440_444_lig_smina_out.mol2", "protac_path": "4058_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CN(CC(=O)NCCCCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=CC=C3N12", "label": -1}, "6500": {"pro_comp_id": 4058, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD2_BD2_P25440_444_lig_smina_out.mol2", "protac_path": "4058_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CN(CC(=O)NCCCCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=CC=C3N12", "label": -1}, "6501": {"pro_comp_id": 4058, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_BD1_O60885_444_lig_smina_out.mol2", "protac_path": "4058_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CN(CC(=O)NCCCCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=CC=C3N12", "label": -1}, "6502": {"pro_comp_id": 4058, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_BD1_O60885_444_lig_smina_out.mol2", "protac_path": "4058_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CN(CC(=O)NCCCCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=CC=C3N12", "label": -1}, "6505": {"pro_comp_id": 4059, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD3_BD2_Q15059_444_lig_smina_out.mol2", "protac_path": "4059_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6506": {"pro_comp_id": 4059, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD3_BD2_Q15059_444_lig_smina_out.mol2", "protac_path": "4059_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6507": {"pro_comp_id": 4059, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD2_BD2_P25440_444_lig_smina_out.mol2", "protac_path": "4059_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6508": {"pro_comp_id": 4059, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD2_BD2_P25440_444_lig_smina_out.mol2", "protac_path": "4059_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6509": {"pro_comp_id": 4059, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_BD1_O60885_444_lig_smina_out.mol2", "protac_path": "4059_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6510": {"pro_comp_id": 4059, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_BD1_O60885_444_lig_smina_out.mol2", "protac_path": "4059_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6513": {"pro_comp_id": 4060, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD3_BD2_Q15059_444_lig_smina_out.mol2", "protac_path": "4060_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6514": {"pro_comp_id": 4060, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD3_BD2_Q15059_444_lig_smina_out.mol2", "protac_path": "4060_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6515": {"pro_comp_id": 4060, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD2_BD2_P25440_444_lig_smina_out.mol2", "protac_path": "4060_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6516": {"pro_comp_id": 4060, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD2_BD2_P25440_444_lig_smina_out.mol2", "protac_path": "4060_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6517": {"pro_comp_id": 4060, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_BD1_O60885_444_lig_smina_out.mol2", "protac_path": "4060_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6518": {"pro_comp_id": 4060, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_BD1_O60885_444_lig_smina_out.mol2", "protac_path": "4060_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6521": {"pro_comp_id": 4061, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD3_BD2_Q15059_444_lig_smina_out.mol2", "protac_path": "4061_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6522": {"pro_comp_id": 4061, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD3_BD2_Q15059_444_lig_smina_out.mol2", "protac_path": "4061_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6523": {"pro_comp_id": 4061, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD2_BD2_P25440_444_lig_smina_out.mol2", "protac_path": "4061_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6524": {"pro_comp_id": 4061, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD2_BD2_P25440_444_lig_smina_out.mol2", "protac_path": "4061_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6525": {"pro_comp_id": 4061, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_BD1_O60885_444_lig_smina_out.mol2", "protac_path": "4061_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6526": {"pro_comp_id": 4061, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_BD1_O60885_444_lig_smina_out.mol2", "protac_path": "4061_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6529": {"pro_comp_id": 4062, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD3_BD2_Q15059_444_lig_smina_out.mol2", "protac_path": "4062_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6530": {"pro_comp_id": 4062, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD3_BD2_Q15059_444_lig_smina_out.mol2", "protac_path": "4062_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6531": {"pro_comp_id": 4062, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD2_BD2_P25440_444_lig_smina_out.mol2", "protac_path": "4062_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6532": {"pro_comp_id": 4062, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD2_BD2_P25440_444_lig_smina_out.mol2", "protac_path": "4062_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6533": {"pro_comp_id": 4062, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_BD1_O60885_444_lig_smina_out.mol2", "protac_path": "4062_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6534": {"pro_comp_id": 4062, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_BD1_O60885_444_lig_smina_out.mol2", "protac_path": "4062_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6537": {"pro_comp_id": 4063, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD3_BD2_Q15059_444_lig_smina_out.mol2", "protac_path": "4063_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6538": {"pro_comp_id": 4063, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD3_BD2_Q15059_444_lig_smina_out.mol2", "protac_path": "4063_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6539": {"pro_comp_id": 4063, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD2_BD2_P25440_444_lig_smina_out.mol2", "protac_path": "4063_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6540": {"pro_comp_id": 4063, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD2_BD2_P25440_444_lig_smina_out.mol2", "protac_path": "4063_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6541": {"pro_comp_id": 4063, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_BD1_O60885_444_lig_smina_out.mol2", "protac_path": "4063_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6542": {"pro_comp_id": 4063, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_BD1_O60885_444_lig_smina_out.mol2", "protac_path": "4063_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6545": {"pro_comp_id": 4064, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD3_BD2_Q15059_444_lig_smina_out.mol2", "protac_path": "4064_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6546": {"pro_comp_id": 4064, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD3_BD2_Q15059_444_lig_smina_out.mol2", "protac_path": "4064_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6547": {"pro_comp_id": 4064, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD2_BD2_P25440_444_lig_smina_out.mol2", "protac_path": "4064_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6548": {"pro_comp_id": 4064, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD2_BD2_P25440_444_lig_smina_out.mol2", "protac_path": "4064_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6549": {"pro_comp_id": 4064, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_BD1_O60885_444_lig_smina_out.mol2", "protac_path": "4064_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6550": {"pro_comp_id": 4064, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_BD1_O60885_444_lig_smina_out.mol2", "protac_path": "4064_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6553": {"pro_comp_id": 4065, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD3_BD2_Q15059_444_lig_smina_out.mol2", "protac_path": "4065_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6554": {"pro_comp_id": 4065, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD3_BD2_Q15059_444_lig_smina_out.mol2", "protac_path": "4065_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6555": {"pro_comp_id": 4065, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD2_BD2_P25440_444_lig_smina_out.mol2", "protac_path": "4065_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6556": {"pro_comp_id": 4065, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD2_BD2_P25440_444_lig_smina_out.mol2", "protac_path": "4065_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6557": {"pro_comp_id": 4065, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_BD1_O60885_444_lig_smina_out.mol2", "protac_path": "4065_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6558": {"pro_comp_id": 4065, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_BD1_O60885_444_lig_smina_out.mol2", "protac_path": "4065_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6561": {"pro_comp_id": 4066, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD3_BD2_Q15059_444_lig_smina_out.mol2", "protac_path": "4066_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6562": {"pro_comp_id": 4066, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD3_BD2_Q15059_444_lig_smina_out.mol2", "protac_path": "4066_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6563": {"pro_comp_id": 4066, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD2_BD2_P25440_444_lig_smina_out.mol2", "protac_path": "4066_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6564": {"pro_comp_id": 4066, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD2_BD2_P25440_444_lig_smina_out.mol2", "protac_path": "4066_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6565": {"pro_comp_id": 4066, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_BD1_O60885_444_lig_smina_out.mol2", "protac_path": "4066_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6566": {"pro_comp_id": 4066, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_BD1_O60885_444_lig_smina_out.mol2", "protac_path": "4066_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6569": {"pro_comp_id": 4067, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD3_BD2_Q15059_444_lig_smina_out.mol2", "protac_path": "4067_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6570": {"pro_comp_id": 4067, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD3_BD2_Q15059_444_lig_smina_out.mol2", "protac_path": "4067_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6571": {"pro_comp_id": 4067, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD2_BD2_P25440_444_lig_smina_out.mol2", "protac_path": "4067_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6572": {"pro_comp_id": 4067, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD2_BD2_P25440_444_lig_smina_out.mol2", "protac_path": "4067_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6573": {"pro_comp_id": 4067, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_BD1_O60885_444_lig_smina_out.mol2", "protac_path": "4067_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6574": {"pro_comp_id": 4067, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_BD1_O60885_444_lig_smina_out.mol2", "protac_path": "4067_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6577": {"pro_comp_id": 4068, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD3_BD2_Q15059_444_lig_smina_out.mol2", "protac_path": "4068_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCCCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6578": {"pro_comp_id": 4068, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD3_BD2_Q15059_444_lig_smina_out.mol2", "protac_path": "4068_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCCCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6579": {"pro_comp_id": 4068, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD2_BD2_P25440_444_lig_smina_out.mol2", "protac_path": "4068_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCCCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6580": {"pro_comp_id": 4068, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD2_BD2_P25440_444_lig_smina_out.mol2", "protac_path": "4068_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCCCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6581": {"pro_comp_id": 4068, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_BD1_O60885_444_lig_smina_out.mol2", "protac_path": "4068_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCCCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6582": {"pro_comp_id": 4068, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_BD1_O60885_444_lig_smina_out.mol2", "protac_path": "4068_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCCCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6585": {"pro_comp_id": 4069, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD3_BD2_Q15059_444_lig_smina_out.mol2", "protac_path": "4069_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CN(C)CCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6586": {"pro_comp_id": 4069, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD3_BD2_Q15059_444_lig_smina_out.mol2", "protac_path": "4069_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CN(C)CCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6587": {"pro_comp_id": 4069, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD2_BD2_P25440_444_lig_smina_out.mol2", "protac_path": "4069_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CN(C)CCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6588": {"pro_comp_id": 4069, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD2_BD2_P25440_444_lig_smina_out.mol2", "protac_path": "4069_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CN(C)CCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6589": {"pro_comp_id": 4069, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_BD1_O60885_444_lig_smina_out.mol2", "protac_path": "4069_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CN(C)CCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6590": {"pro_comp_id": 4069, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_BD1_O60885_444_lig_smina_out.mol2", "protac_path": "4069_protac.mol2", "smiles": "CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CN(C)CCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12", "label": -1}, "6593": {"pro_comp_id": 4070, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_71_lig_smina_out.mol2", "protac_path": "4070_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(OCC(=O)N4CCC(NC(=O)C5=N[NH]C=C5NC(=O)C5=C(Cl)C=CC=C5Cl)CC4)=C3C2=O)C(=O)N1", "label": -1}, "6594": {"pro_comp_id": 4071, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_71_lig_smina_out.mol2", "protac_path": "4071_protac.mol2", "smiles": "O=C(CCN1CCC(NC(=O)C2=N[NH]C=C2NC(=O)C2=C(Cl)C=CC=C2Cl)CC1)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "6595": {"pro_comp_id": 4072, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_71_lig_smina_out.mol2", "protac_path": "4072_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCC(=O)N1CCC(NC(=O)C2=N[NH]C=C2NC(=O)C2=C(Cl)C=CC=C2Cl)CC1", "label": -1}, "6596": {"pro_comp_id": 4073, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_71_lig_smina_out.mol2", "protac_path": "4073_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCC(=O)N1CCC(NC(=O)C2=N[NH]C=C2NC(=O)C2=C(Cl)C=CC=C2Cl)CC1", "label": -1}, "6597": {"pro_comp_id": 4074, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_71_lig_smina_out.mol2", "protac_path": "4074_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCC(=O)N1CCC(NC(=O)C2=N[NH]C=C2NC(=O)C2=C(Cl)C=CC=C2Cl)CC1", "label": -1}, "6598": {"pro_comp_id": 4075, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_71_lig_smina_out.mol2", "protac_path": "4075_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCCCCC(=O)N1CCC(NC(=O)C2=N[NH]C=C2NC(=O)C2=C(Cl)C=CC=C2Cl)CC1", "label": -1}, "6599": {"pro_comp_id": 4075, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK2_P24941_71_lig_smina_out.mol2", "protac_path": "4075_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCCCCC(=O)N1CCC(NC(=O)C2=N[NH]C=C2NC(=O)C2=C(Cl)C=CC=C2Cl)CC1", "label": -1}, "6600": {"pro_comp_id": 4076, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_71_lig_smina_out.mol2", "protac_path": "4076_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCCCCCC(=O)N1CCC(NC(=O)C2=N[NH]C=C2NC(=O)C2=C(Cl)C=CC=C2Cl)CC1", "label": -1}, "6601": {"pro_comp_id": 4077, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_71_lig_smina_out.mol2", "protac_path": "4077_protac.mol2", "smiles": "O=C(CNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCCCCC(=O)N1CCC(NC(=O)C2=N[NH]C=C2NC(=O)C2=C(Cl)C=CC=C2Cl)CC1", "label": -1}, "6602": {"pro_comp_id": 4077, "tar_path": "CDK2_P24941.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK2_P24941_71_lig_smina_out.mol2", "protac_path": "4077_protac.mol2", "smiles": "O=C(CNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCCCCC(=O)N1CCC(NC(=O)C2=N[NH]C=C2NC(=O)C2=C(Cl)C=CC=C2Cl)CC1", "label": -1}, "6603": {"pro_comp_id": 4078, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_71_lig_smina_out.mol2", "protac_path": "4078_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOCCOCCOCC(=O)N1CCC(NC(=O)C2=N[NH]C=C2NC(=O)C2=C(Cl)C=CC=C2Cl)CC1", "label": -1}, "6604": {"pro_comp_id": 4079, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_71_lig_smina_out.mol2", "protac_path": "4079_protac.mol2", "smiles": "O=C(CCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCC(=O)N1CCC(NC(=O)C2=N[NH]C=C2NC(=O)C2=C(Cl)C=CC=C2Cl)CC1", "label": -1}, "6605": {"pro_comp_id": 4080, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_71_lig_smina_out.mol2", "protac_path": "4080_protac.mol2", "smiles": "O=C(CCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCC(=O)N1CCC(NC(=O)C2=N[NH]C=C2NC(=O)C2=C(Cl)C=CC=C2Cl)CC1", "label": -1}, "6606": {"pro_comp_id": 4081, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_71_lig_smina_out.mol2", "protac_path": "4081_protac.mol2", "smiles": "O=C(CCCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCC(=O)N1CCC(NC(=O)C2=N[NH]C=C2NC(=O)C2=C(Cl)C=CC=C2Cl)CC1", "label": -1}, "6607": {"pro_comp_id": 4082, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_71_lig_smina_out.mol2", "protac_path": "4082_protac.mol2", "smiles": "O=C(CCCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCC(=O)N1CCC(NC(=O)C2=N[NH]C=C2NC(=O)C2=C(Cl)C=CC=C2Cl)CC1", "label": -1}, "6608": {"pro_comp_id": 4083, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_71_lig_smina_out.mol2", "protac_path": "4083_protac.mol2", "smiles": "O=C(CCCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCCC(=O)N1CCC(NC(=O)C2=N[NH]C=C2NC(=O)C2=C(Cl)C=CC=C2Cl)CC1", "label": -1}, "6609": {"pro_comp_id": 4084, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_71_lig_smina_out.mol2", "protac_path": "4084_protac.mol2", "smiles": "O=C(CCCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCCCC(=O)N1CCC(NC(=O)C2=N[NH]C=C2NC(=O)C2=C(Cl)C=CC=C2Cl)CC1", "label": -1}, "6610": {"pro_comp_id": 4085, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_71_lig_smina_out.mol2", "protac_path": "4085_protac.mol2", "smiles": "O=C(CCCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCCCCC(=O)N1CCC(NC(=O)C2=N[NH]C=C2NC(=O)C2=C(Cl)C=CC=C2Cl)CC1", "label": -1}, "6611": {"pro_comp_id": 4086, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_71_lig_smina_out.mol2", "protac_path": "4086_protac.mol2", "smiles": "O=C(CCCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCCCCCC(=O)N1CCC(NC(=O)C2=N[NH]C=C2NC(=O)C2=C(Cl)C=CC=C2Cl)CC1", "label": -1}, "6612": {"pro_comp_id": 4087, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_71_lig_smina_out.mol2", "protac_path": "4087_protac.mol2", "smiles": "O=C(CCCCNC(=O)CNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCC(=O)N1CCC(NC(=O)C2=N[NH]C=C2NC(=O)C2=C(Cl)C=CC=C2Cl)CC1", "label": -1}, "6613": {"pro_comp_id": 4088, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_71_lig_smina_out.mol2", "protac_path": "4088_protac.mol2", "smiles": "O=C(CCCCCNC(=O)CNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCC(=O)N1CCC(NC(=O)C2=N[NH]C=C2NC(=O)C2=C(Cl)C=CC=C2Cl)CC1", "label": -1}, "6614": {"pro_comp_id": 4089, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_71_lig_smina_out.mol2", "protac_path": "4089_protac.mol2", "smiles": "O=C(CCCCCCNC(=O)CNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCC(=O)N1CCC(NC(=O)C2=N[NH]C=C2NC(=O)C2=C(Cl)C=CC=C2Cl)CC1", "label": -1}, "6615": {"pro_comp_id": 4090, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_71_lig_smina_out.mol2", "protac_path": "4090_protac.mol2", "smiles": "O=C(CCCCCCNC(=O)CNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCC(=O)N1CCC(NC(=O)C2=N[NH]C=C2NC(=O)C2=C(Cl)C=CC=C2Cl)CC1", "label": -1}, "6616": {"pro_comp_id": 4091, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_71_lig_smina_out.mol2", "protac_path": "4091_protac.mol2", "smiles": "O=C(CCCCCCNC(=O)CNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCCC(=O)N1CCC(NC(=O)C2=N[NH]C=C2NC(=O)C2=C(Cl)C=CC=C2Cl)CC1", "label": -1}, "6617": {"pro_comp_id": 4092, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_71_lig_smina_out.mol2", "protac_path": "4092_protac.mol2", "smiles": "O=C(CCCCCCNC(=O)CNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCCCC(=O)N1CCC(NC(=O)C2=N[NH]C=C2NC(=O)C2=C(Cl)C=CC=C2Cl)CC1", "label": -1}, "6618": {"pro_comp_id": 4093, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_71_lig_smina_out.mol2", "protac_path": "4093_protac.mol2", "smiles": "O=C(CCCCCCNC(=O)CNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCCCCC(=O)N1CCC(NC(=O)C2=N[NH]C=C2NC(=O)C2=C(Cl)C=CC=C2Cl)CC1", "label": -1}, "6619": {"pro_comp_id": 4094, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK9_P50750_71_lig_smina_out.mol2", "protac_path": "4094_protac.mol2", "smiles": "O=C(CCCCCCCCCCCNC(=O)CNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCCCCCC(=O)N1CCC(NC(=O)C2=N[NH]C=C2NC(=O)C2=C(Cl)C=CC=C2Cl)CC1", "label": -1}, "6620": {"pro_comp_id": 4095, "tar_path": "SIR2_Q8IXJ6.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "SIR2_Q8IXJ6_445_lig_smina_out.mol2", "protac_path": "4095_protac.mol2", "smiles": "COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)C1=CC=C(C(=O)C2=CC=C(OC/C=C/CN3C=C(COCCOCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)C=C1", "label": -1}, "6621": {"pro_comp_id": 4095, "tar_path": "SIRT3_Q9NTG7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "SIRT3_Q9NTG7_445_lig_smina_out.mol2", "protac_path": "4095_protac.mol2", "smiles": "COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)C1=CC=C(C(=O)C2=CC=C(OC/C=C/CN3C=C(COCCOCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)C=C1", "label": -1}, "6654": {"pro_comp_id": 4106, "tar_path": "VEGFR-2_P35968.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "VEGFR-2_P35968_447_lig_smina_out.mol2", "protac_path": "4106_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCC(=O)N3N=C(N)C4=C(C5=CC=CC(NC(=O)NC6=CC=CC(Cl)=C6)=C5)C=CC=C43)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6655": {"pro_comp_id": 4106, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRAF_P15056_447_lig_smina_out.mol2", "protac_path": "4106_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCC(=O)N3N=C(N)C4=C(C5=CC=CC(NC(=O)NC6=CC=CC(Cl)=C6)=C5)C=CC=C43)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6656": {"pro_comp_id": 4107, "tar_path": "VEGFR-2_P35968.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "VEGFR-2_P35968_447_lig_smina_out.mol2", "protac_path": "4107_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCC(=O)N3N=C(N)C4=C(C5=CC=CC(NC(=O)NC6=CC=CC(Cl)=C6)=C5)C=CC=C43)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6657": {"pro_comp_id": 4107, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRAF_P15056_447_lig_smina_out.mol2", "protac_path": "4107_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCC(=O)N3N=C(N)C4=C(C5=CC=CC(NC(=O)NC6=CC=CC(Cl)=C6)=C5)C=CC=C43)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6658": {"pro_comp_id": 4108, "tar_path": "VEGFR-2_P35968.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "VEGFR-2_P35968_447_lig_smina_out.mol2", "protac_path": "4108_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N3N=C(N)C4=C(C5=CC=CC(NC(=O)NC6=CC=CC(Cl)=C6)=C5)C=CC=C43)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6659": {"pro_comp_id": 4108, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRAF_P15056_447_lig_smina_out.mol2", "protac_path": "4108_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N3N=C(N)C4=C(C5=CC=CC(NC(=O)NC6=CC=CC(Cl)=C6)=C5)C=CC=C43)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6660": {"pro_comp_id": 4109, "tar_path": "HPGDS_O60760.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HPGDS_O60760_262_lig_smina_out.mol2", "protac_path": "4109_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(N4CCN(C(=O)C5CCN(C6=CC=C(NC(=O)C7=CN=C(OC8=CC=CC=C8)N=C7)C=C6)CC5)CC4)C=C3C2=O)C(=O)N1", "label": -1}, "6661": {"pro_comp_id": 4109, "tar_path": "HPGDS_O60760.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HPGDS_O60760_262_lig_smina_out.mol2", "protac_path": "4109_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(N4CCN(C(=O)C5CCN(C6=CC=C(NC(=O)C7=CN=C(OC8=CC=CC=C8)N=C7)C=C6)CC5)CC4)C=C3C2=O)C(=O)N1", "label": -1}, "6662": {"pro_comp_id": 4110, "tar_path": "HPGDS_O60760.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HPGDS_O60760_448_lig_smina_out.mol2", "protac_path": "4110_protac.mol2", "smiles": "CN1C=CC=C1C(=O)N1CCN(C(=O)NC2=CC=C(N3CCC(C(=O)N4CCN(C5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)C=C2)CC1", "label": -1}, "6663": {"pro_comp_id": 4110, "tar_path": "HPGDS_O60760.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HPGDS_O60760_448_lig_smina_out.mol2", "protac_path": "4110_protac.mol2", "smiles": "CN1C=CC=C1C(=O)N1CCN(C(=O)NC2=CC=C(N3CCC(C(=O)N4CCN(C5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)C=C2)CC1", "label": -1}, "6664": {"pro_comp_id": 4111, "tar_path": "HPGDS_O60760.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HPGDS_O60760_448_lig_smina_out.mol2", "protac_path": "4111_protac.mol2", "smiles": "CN1C=CC=C1C(=O)N1CCN(C(=O)NC2=CC=C(N3CCC(C(=O)N4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C=C2)CC1", "label": -1}, "6665": {"pro_comp_id": 4111, "tar_path": "HPGDS_O60760.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HPGDS_O60760_448_lig_smina_out.mol2", "protac_path": "4111_protac.mol2", "smiles": "CN1C=CC=C1C(=O)N1CCN(C(=O)NC2=CC=C(N3CCC(C(=O)N4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C=C2)CC1", "label": -1}, "6666": {"pro_comp_id": 4112, "tar_path": "HPGDS_O60760.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_74_lig_smina_out.mol2", "war_path": "HPGDS_O60760_262_lig_smina_out.mol2", "protac_path": "4112_protac.mol2", "smiles": "O=C1CCC(C2=CC=C(NCC(=O)N3CCN(C(=O)C4CCN(C5=CC=C(NC(=O)C6=CN=C(OC7=CC=CC=C7)N=C6)C=C5)CC4)CC3)C=C2)C(=O)N1", "label": -1}, "6667": {"pro_comp_id": 4113, "tar_path": "HPGDS_O60760.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HPGDS_O60760_262_lig_smina_out.mol2", "protac_path": "4113_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC(F)=C(N4CCN(C(=O)C5CCN(C6=CC=C(NC(=O)C7=CN=C(OC8=CC=CC=C8)N=C7)C=C6)CC5)CC4)C=C3C2=O)C(=O)N1", "label": -1}, "6668": {"pro_comp_id": 4114, "tar_path": "IRE1alpha_Q9C5S2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_80_lig_smina_out.mol2", "war_path": "IRE1alpha_Q9C5S2_449_lig_smina_out.mol2", "protac_path": "4114_protac.mol2", "smiles": "CC1=C(CC(=O)N2CCC(C3=CC=C(NC4CCC(=O)NC4=O)C=C3)CC2)C(=O)OC2=C(C=O)C(O)=CC=C12", "label": -1}, "6669": {"pro_comp_id": 4115, "tar_path": "MAFF_Q9ULX9.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MAFF_Q9ULX9_450_lig_smina_out.mol2", "protac_path": "4115_protac.mol2", "smiles": "C=C1CC[C@H]2[C@@H](/C=C(\\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1OCC1=CN(CC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N1)C2(C)C", "label": -1}, "6670": {"pro_comp_id": 4116, "tar_path": "MAFF_Q9ULX9.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MAFF_Q9ULX9_450_lig_smina_out.mol2", "protac_path": "4116_protac.mol2", "smiles": "C=C1CC[C@H]2[C@@H](/C=C(\\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1OCC1=CN(CC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N1)C2(C)C", "label": -1}, "6671": {"pro_comp_id": 4117, "tar_path": "MAFF_Q9ULX9.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MAFF_Q9ULX9_450_lig_smina_out.mol2", "protac_path": "4117_protac.mol2", "smiles": "C=C1CC[C@H]2[C@@H](/C=C(\\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1OCC1=CN(CCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N1)C2(C)C", "label": -1}, "6672": {"pro_comp_id": 4118, "tar_path": "MAFF_Q9ULX9.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MAFF_Q9ULX9_450_lig_smina_out.mol2", "protac_path": "4118_protac.mol2", "smiles": "C=C1CC[C@H]2[C@@H](/C=C(\\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1OCC1=CN(CCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N1)C2(C)C", "label": -1}, "6673": {"pro_comp_id": 4119, "tar_path": "MAFF_Q9ULX9.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MAFF_Q9ULX9_450_lig_smina_out.mol2", "protac_path": "4119_protac.mol2", "smiles": "C=C1CC[C@H]2[C@@H](/C=C(\\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1OCC1=CN(CCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N1)C2(C)C", "label": -1}, "6674": {"pro_comp_id": 4120, "tar_path": "MAFF_Q9ULX9.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MAFF_Q9ULX9_450_lig_smina_out.mol2", "protac_path": "4120_protac.mol2", "smiles": "C=C1CC[C@H]2[C@@H](/C=C(\\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1OCC1=CN(CCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N1)C2(C)C", "label": -1}, "6675": {"pro_comp_id": 4121, "tar_path": "MAFF_Q9ULX9.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_38_lig_smina_out.mol2", "war_path": "MAFF_Q9ULX9_450_lig_smina_out.mol2", "protac_path": "4121_protac.mol2", "smiles": "C=C1CC[C@H]2[C@@H](/C=C(\\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1OCC1=CN(CC(=O)N[C@H](CC3=CC=CC=C3)[C@H](O)C(=O)N[C@@H](CC(C)C)C(=O)OC)N=N1)C2(C)C", "label": -1}, "6676": {"pro_comp_id": 4122, "tar_path": "MAFF_Q9ULX9.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_38_lig_smina_out.mol2", "war_path": "MAFF_Q9ULX9_450_lig_smina_out.mol2", "protac_path": "4122_protac.mol2", "smiles": "C=C1CC[C@H]2[C@@H](/C=C(\\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1OCC1=CN(CCCC(=O)N[C@H](CC3=CC=CC=C3)[C@H](O)C(=O)N[C@@H](CC(C)C)C(=O)OC)N=N1)C2(C)C", "label": -1}, "6677": {"pro_comp_id": 4123, "tar_path": "MAFF_Q9ULX9.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_38_lig_smina_out.mol2", "war_path": "MAFF_Q9ULX9_450_lig_smina_out.mol2", "protac_path": "4123_protac.mol2", "smiles": "C=C1CC[C@H]2[C@@H](/C=C(\\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1OCC1=CN(CCCCCC(=O)N[C@H](CC3=CC=CC=C3)[C@H](O)C(=O)N[C@@H](CC(C)C)C(=O)OC)N=N1)C2(C)C", "label": -1}, "6678": {"pro_comp_id": 4124, "tar_path": "MAFF_Q9ULX9.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_92_lig_smina_out.mol2", "war_path": "MAFF_Q9ULX9_450_lig_smina_out.mol2", "protac_path": "4124_protac.mol2", "smiles": "C=C1CC[C@H]2[C@@H](/C=C(\\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1OCC1=CN(CCOCCOCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)N=N1)C2(C)C", "label": -1}, "6679": {"pro_comp_id": 4125, "tar_path": "MAFF_Q9ULX9.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_92_lig_smina_out.mol2", "war_path": "MAFF_Q9ULX9_450_lig_smina_out.mol2", "protac_path": "4125_protac.mol2", "smiles": "C=C1CC[C@H]2[C@@H](/C=C(\\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1OCC1=CN(CCOCCOCCOCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)N=N1)C2(C)C", "label": -1}, "6680": {"pro_comp_id": 4126, "tar_path": "MAFF_Q9ULX9.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_92_lig_smina_out.mol2", "war_path": "MAFF_Q9ULX9_450_lig_smina_out.mol2", "protac_path": "4126_protac.mol2", "smiles": "C=C1CC[C@H]2[C@@H](/C=C(\\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1OCC1=CN(CCOCCOCCOCCOCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)N=N1)C2(C)C", "label": -1}, "6681": {"pro_comp_id": 4127, "tar_path": "MAFF_Q9ULX9.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_37_lig_smina_out.mol2", "war_path": "MAFF_Q9ULX9_450_lig_smina_out.mol2", "protac_path": "4127_protac.mol2", "smiles": "C=C1CC[C@H]2[C@@H](/C=C(\\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1OCC1=CN(CCOCCOCCNC(=O)CN3CCN(C(=O)N4C(C5=CC=C(OC)C=C5OC(C)C)=N[C@H](C5=CC=C(Cl)C=C5)[C@@H]4C4=CC=C(Cl)C=C4)CC3=O)N=N1)C2(C)C", "label": -1}, "6682": {"pro_comp_id": 4128, "tar_path": "MAFF_Q9ULX9.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_37_lig_smina_out.mol2", "war_path": "MAFF_Q9ULX9_450_lig_smina_out.mol2", "protac_path": "4128_protac.mol2", "smiles": "C=C1CC[C@H]2[C@@H](/C=C(\\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1OCC1=CN(CCOCCOCCOCCNC(=O)CN3CCN(C(=O)N4C(C5=CC=C(OC)C=C5OC(C)C)=N[C@H](C5=CC=C(Cl)C=C5)[C@@H]4C4=CC=C(Cl)C=C4)CC3=O)N=N1)C2(C)C", "label": -1}, "6683": {"pro_comp_id": 4129, "tar_path": "MAFF_Q9ULX9.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_37_lig_smina_out.mol2", "war_path": "MAFF_Q9ULX9_450_lig_smina_out.mol2", "protac_path": "4129_protac.mol2", "smiles": "C=C1CC[C@H]2[C@@H](/C=C(\\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1OCC1=CN(CCOCCOCCOCCOCCNC(=O)CN3CCN(C(=O)N4C(C5=CC=C(OC)C=C5OC(C)C)=N[C@H](C5=CC=C(Cl)C=C5)[C@@H]4C4=CC=C(Cl)C=C4)CC3=O)N=N1)C2(C)C", "label": -1}, "6684": {"pro_comp_id": 4130, "tar_path": "cIAP1_Q13490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "cIAP1_Q13490_451_lig_smina_out.mol2", "protac_path": "4130_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6685": {"pro_comp_id": 4130, "tar_path": "cIAP2_Q13489.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "cIAP2_Q13489_451_lig_smina_out.mol2", "protac_path": "4130_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6686": {"pro_comp_id": 4130, "tar_path": "XIAP_P98170.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "XIAP_P98170_451_lig_smina_out.mol2", "protac_path": "4130_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6688": {"pro_comp_id": 4131, "tar_path": "cIAP1_Q13490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "cIAP1_Q13490_451_lig_smina_out.mol2", "protac_path": "4131_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6689": {"pro_comp_id": 4131, "tar_path": "cIAP2_Q13489.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "cIAP2_Q13489_451_lig_smina_out.mol2", "protac_path": "4131_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6690": {"pro_comp_id": 4131, "tar_path": "XIAP_P98170.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "XIAP_P98170_451_lig_smina_out.mol2", "protac_path": "4131_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6693": {"pro_comp_id": 4132, "tar_path": "cIAP1_Q13490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "cIAP1_Q13490_451_lig_smina_out.mol2", "protac_path": "4132_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCOCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6694": {"pro_comp_id": 4132, "tar_path": "cIAP2_Q13489.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "cIAP2_Q13489_451_lig_smina_out.mol2", "protac_path": "4132_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCOCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6695": {"pro_comp_id": 4132, "tar_path": "XIAP_P98170.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "XIAP_P98170_451_lig_smina_out.mol2", "protac_path": "4132_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCOCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6696": {"pro_comp_id": 4133, "tar_path": "cIAP1_Q13490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "cIAP1_Q13490_451_lig_smina_out.mol2", "protac_path": "4133_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6697": {"pro_comp_id": 4133, "tar_path": "cIAP2_Q13489.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "cIAP2_Q13489_451_lig_smina_out.mol2", "protac_path": "4133_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6698": {"pro_comp_id": 4133, "tar_path": "XIAP_P98170.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "XIAP_P98170_451_lig_smina_out.mol2", "protac_path": "4133_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6700": {"pro_comp_id": 4134, "tar_path": "cIAP1_Q13490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "cIAP1_Q13490_451_lig_smina_out.mol2", "protac_path": "4134_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6701": {"pro_comp_id": 4134, "tar_path": "cIAP2_Q13489.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "cIAP2_Q13489_451_lig_smina_out.mol2", "protac_path": "4134_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6702": {"pro_comp_id": 4134, "tar_path": "XIAP_P98170.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "XIAP_P98170_451_lig_smina_out.mol2", "protac_path": "4134_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6704": {"pro_comp_id": 4135, "tar_path": "cIAP1_Q13490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "cIAP1_Q13490_451_lig_smina_out.mol2", "protac_path": "4135_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCOCCCCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6705": {"pro_comp_id": 4135, "tar_path": "cIAP2_Q13489.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "cIAP2_Q13489_451_lig_smina_out.mol2", "protac_path": "4135_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCOCCCCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6706": {"pro_comp_id": 4135, "tar_path": "XIAP_P98170.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "XIAP_P98170_451_lig_smina_out.mol2", "protac_path": "4135_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCOCCCCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6708": {"pro_comp_id": 4136, "tar_path": "cIAP1_Q13490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "cIAP1_Q13490_451_lig_smina_out.mol2", "protac_path": "4136_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCOCCCCCOCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6709": {"pro_comp_id": 4136, "tar_path": "cIAP2_Q13489.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "cIAP2_Q13489_451_lig_smina_out.mol2", "protac_path": "4136_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCOCCCCCOCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6710": {"pro_comp_id": 4136, "tar_path": "XIAP_P98170.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "XIAP_P98170_451_lig_smina_out.mol2", "protac_path": "4136_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCOCCCCCOCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6712": {"pro_comp_id": 4137, "tar_path": "cIAP1_Q13490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "cIAP1_Q13490_451_lig_smina_out.mol2", "protac_path": "4137_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCOCCCCCCOCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6713": {"pro_comp_id": 4137, "tar_path": "cIAP2_Q13489.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "cIAP2_Q13489_451_lig_smina_out.mol2", "protac_path": "4137_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCOCCCCCCOCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6714": {"pro_comp_id": 4137, "tar_path": "XIAP_P98170.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "XIAP_P98170_451_lig_smina_out.mol2", "protac_path": "4137_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCOCCCCCCOCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6716": {"pro_comp_id": 4138, "tar_path": "cIAP1_Q13490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "cIAP1_Q13490_451_lig_smina_out.mol2", "protac_path": "4138_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6717": {"pro_comp_id": 4138, "tar_path": "cIAP2_Q13489.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "cIAP2_Q13489_451_lig_smina_out.mol2", "protac_path": "4138_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6718": {"pro_comp_id": 4138, "tar_path": "XIAP_P98170.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "XIAP_P98170_451_lig_smina_out.mol2", "protac_path": "4138_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6720": {"pro_comp_id": 4139, "tar_path": "cIAP1_Q13490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "cIAP1_Q13490_451_lig_smina_out.mol2", "protac_path": "4139_protac.mol2", "smiles": "CN[C@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6721": {"pro_comp_id": 4139, "tar_path": "cIAP2_Q13489.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "cIAP2_Q13489_451_lig_smina_out.mol2", "protac_path": "4139_protac.mol2", "smiles": "CN[C@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6722": {"pro_comp_id": 4139, "tar_path": "XIAP_P98170.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "XIAP_P98170_451_lig_smina_out.mol2", "protac_path": "4139_protac.mol2", "smiles": "CN[C@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6724": {"pro_comp_id": 4140, "tar_path": "cIAP1_Q13490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "cIAP1_Q13490_451_lig_smina_out.mol2", "protac_path": "4140_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCOC3=CC=CC(O[C@H]4C[C@@H](C(=O)N[C@@H]5CCCC6=CC=CC=C65)N(C(=O)[C@@H](NC(=O)[C@H](C)N(C)C)C5CCCCC5)C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6725": {"pro_comp_id": 4140, "tar_path": "cIAP2_Q13489.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "cIAP2_Q13489_451_lig_smina_out.mol2", "protac_path": "4140_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCOC3=CC=CC(O[C@H]4C[C@@H](C(=O)N[C@@H]5CCCC6=CC=CC=C65)N(C(=O)[C@@H](NC(=O)[C@H](C)N(C)C)C5CCCCC5)C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6726": {"pro_comp_id": 4140, "tar_path": "XIAP_P98170.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "XIAP_P98170_451_lig_smina_out.mol2", "protac_path": "4140_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCOC3=CC=CC(O[C@H]4C[C@@H](C(=O)N[C@@H]5CCCC6=CC=CC=C65)N(C(=O)[C@@H](NC(=O)[C@H](C)N(C)C)C5CCCCC5)C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6728": {"pro_comp_id": 4141, "tar_path": "cIAP1_Q13490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "cIAP1_Q13490_451_lig_smina_out.mol2", "protac_path": "4141_protac.mol2", "smiles": "CC(=O)N(C)[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6729": {"pro_comp_id": 4141, "tar_path": "cIAP2_Q13489.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "cIAP2_Q13489_451_lig_smina_out.mol2", "protac_path": "4141_protac.mol2", "smiles": "CC(=O)N(C)[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6730": {"pro_comp_id": 4141, "tar_path": "XIAP_P98170.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "XIAP_P98170_451_lig_smina_out.mol2", "protac_path": "4141_protac.mol2", "smiles": "CC(=O)N(C)[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6732": {"pro_comp_id": 4142, "tar_path": "cIAP1_Q13490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "cIAP1_Q13490_451_lig_smina_out.mol2", "protac_path": "4142_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCOC3=CC=CC(O[C@H]4C[C@@H](C(=O)N[C@@H]5CCCC6=CC=CC=C65)N(C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C5CCCCC5)C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6733": {"pro_comp_id": 4142, "tar_path": "cIAP2_Q13489.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "cIAP2_Q13489_451_lig_smina_out.mol2", "protac_path": "4142_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCOC3=CC=CC(O[C@H]4C[C@@H](C(=O)N[C@@H]5CCCC6=CC=CC=C65)N(C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C5CCCCC5)C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6734": {"pro_comp_id": 4142, "tar_path": "XIAP_P98170.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "XIAP_P98170_451_lig_smina_out.mol2", "protac_path": "4142_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCOC3=CC=CC(O[C@H]4C[C@@H](C(=O)N[C@@H]5CCCC6=CC=CC=C65)N(C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C5CCCCC5)C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6736": {"pro_comp_id": 4143, "tar_path": "cIAP1_Q13490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_29_lig_smina_out.mol2", "war_path": "cIAP1_Q13490_451_lig_smina_out.mol2", "protac_path": "4143_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6737": {"pro_comp_id": 4143, "tar_path": "cIAP2_Q13489.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_29_lig_smina_out.mol2", "war_path": "cIAP2_Q13489_451_lig_smina_out.mol2", "protac_path": "4143_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6738": {"pro_comp_id": 4143, "tar_path": "XIAP_P98170.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_29_lig_smina_out.mol2", "war_path": "XIAP_P98170_451_lig_smina_out.mol2", "protac_path": "4143_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6740": {"pro_comp_id": 4144, "tar_path": "cIAP1_Q13490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_29_lig_smina_out.mol2", "war_path": "cIAP1_Q13490_451_lig_smina_out.mol2", "protac_path": "4144_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6741": {"pro_comp_id": 4144, "tar_path": "cIAP2_Q13489.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_29_lig_smina_out.mol2", "war_path": "cIAP2_Q13489_451_lig_smina_out.mol2", "protac_path": "4144_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6742": {"pro_comp_id": 4144, "tar_path": "XIAP_P98170.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_29_lig_smina_out.mol2", "war_path": "XIAP_P98170_451_lig_smina_out.mol2", "protac_path": "4144_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6744": {"pro_comp_id": 4145, "tar_path": "cIAP1_Q13490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_29_lig_smina_out.mol2", "war_path": "cIAP1_Q13490_451_lig_smina_out.mol2", "protac_path": "4145_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCOCCCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6745": {"pro_comp_id": 4145, "tar_path": "cIAP2_Q13489.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_29_lig_smina_out.mol2", "war_path": "cIAP2_Q13489_451_lig_smina_out.mol2", "protac_path": "4145_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCOCCCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6746": {"pro_comp_id": 4145, "tar_path": "XIAP_P98170.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_29_lig_smina_out.mol2", "war_path": "XIAP_P98170_451_lig_smina_out.mol2", "protac_path": "4145_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCOCCCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6748": {"pro_comp_id": 4146, "tar_path": "cIAP1_Q13490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_29_lig_smina_out.mol2", "war_path": "cIAP1_Q13490_451_lig_smina_out.mol2", "protac_path": "4146_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCOCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6749": {"pro_comp_id": 4146, "tar_path": "cIAP2_Q13489.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_29_lig_smina_out.mol2", "war_path": "cIAP2_Q13489_451_lig_smina_out.mol2", "protac_path": "4146_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCOCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6750": {"pro_comp_id": 4146, "tar_path": "XIAP_P98170.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_29_lig_smina_out.mol2", "war_path": "XIAP_P98170_451_lig_smina_out.mol2", "protac_path": "4146_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCOCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6752": {"pro_comp_id": 4147, "tar_path": "cIAP1_Q13490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_29_lig_smina_out.mol2", "war_path": "cIAP1_Q13490_451_lig_smina_out.mol2", "protac_path": "4147_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCOCCOCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6753": {"pro_comp_id": 4147, "tar_path": "cIAP2_Q13489.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_29_lig_smina_out.mol2", "war_path": "cIAP2_Q13489_451_lig_smina_out.mol2", "protac_path": "4147_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCOCCOCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6754": {"pro_comp_id": 4147, "tar_path": "XIAP_P98170.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_29_lig_smina_out.mol2", "war_path": "XIAP_P98170_451_lig_smina_out.mol2", "protac_path": "4147_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCOCCOCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6756": {"pro_comp_id": 4148, "tar_path": "cIAP1_Q13490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_29_lig_smina_out.mol2", "war_path": "cIAP1_Q13490_451_lig_smina_out.mol2", "protac_path": "4148_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCOCCCCCCOCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6757": {"pro_comp_id": 4148, "tar_path": "cIAP2_Q13489.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_29_lig_smina_out.mol2", "war_path": "cIAP2_Q13489_451_lig_smina_out.mol2", "protac_path": "4148_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCOCCCCCCOCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6758": {"pro_comp_id": 4148, "tar_path": "XIAP_P98170.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_29_lig_smina_out.mol2", "war_path": "XIAP_P98170_451_lig_smina_out.mol2", "protac_path": "4148_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCOCCCCCCOCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6760": {"pro_comp_id": 4149, "tar_path": "cIAP1_Q13490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_29_lig_smina_out.mol2", "war_path": "cIAP1_Q13490_451_lig_smina_out.mol2", "protac_path": "4149_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCOCCCCCOCCCCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6761": {"pro_comp_id": 4149, "tar_path": "cIAP2_Q13489.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_29_lig_smina_out.mol2", "war_path": "cIAP2_Q13489_451_lig_smina_out.mol2", "protac_path": "4149_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCOCCCCCOCCCCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6762": {"pro_comp_id": 4149, "tar_path": "XIAP_P98170.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_29_lig_smina_out.mol2", "war_path": "XIAP_P98170_451_lig_smina_out.mol2", "protac_path": "4149_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCOCCCCCOCCCCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6764": {"pro_comp_id": 4150, "tar_path": "cIAP1_Q13490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_29_lig_smina_out.mol2", "war_path": "cIAP1_Q13490_451_lig_smina_out.mol2", "protac_path": "4150_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCOCCCCCCOCCCCCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6765": {"pro_comp_id": 4150, "tar_path": "cIAP2_Q13489.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_29_lig_smina_out.mol2", "war_path": "cIAP2_Q13489_451_lig_smina_out.mol2", "protac_path": "4150_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCOCCCCCCOCCCCCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6766": {"pro_comp_id": 4150, "tar_path": "XIAP_P98170.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_29_lig_smina_out.mol2", "war_path": "XIAP_P98170_451_lig_smina_out.mol2", "protac_path": "4150_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCOCCCCCCOCCCCCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6768": {"pro_comp_id": 4151, "tar_path": "cIAP1_Q13490.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "cIAP1_Q13490_451_lig_smina_out.mol2", "protac_path": "4151_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6769": {"pro_comp_id": 4151, "tar_path": "cIAP2_Q13489.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "cIAP2_Q13489_451_lig_smina_out.mol2", "protac_path": "4151_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6770": {"pro_comp_id": 4151, "tar_path": "XIAP_P98170.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "XIAP_P98170_451_lig_smina_out.mol2", "protac_path": "4151_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6772": {"pro_comp_id": 4151, "tar_path": "cIAP1_Q13490.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "cIAP1_Q13490_451_lig_smina_out.mol2", "protac_path": "4151_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6773": {"pro_comp_id": 4151, "tar_path": "cIAP2_Q13489.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "cIAP2_Q13489_451_lig_smina_out.mol2", "protac_path": "4151_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6774": {"pro_comp_id": 4151, "tar_path": "XIAP_P98170.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "XIAP_P98170_451_lig_smina_out.mol2", "protac_path": "4151_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6776": {"pro_comp_id": 4152, "tar_path": "cIAP1_Q13490.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "cIAP1_Q13490_451_lig_smina_out.mol2", "protac_path": "4152_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCOCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6777": {"pro_comp_id": 4152, "tar_path": "cIAP2_Q13489.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "cIAP2_Q13489_451_lig_smina_out.mol2", "protac_path": "4152_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCOCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6778": {"pro_comp_id": 4152, "tar_path": "XIAP_P98170.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "XIAP_P98170_451_lig_smina_out.mol2", "protac_path": "4152_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCOCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6780": {"pro_comp_id": 4153, "tar_path": "cIAP1_Q13490.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "cIAP1_Q13490_451_lig_smina_out.mol2", "protac_path": "4153_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6781": {"pro_comp_id": 4153, "tar_path": "cIAP2_Q13489.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "cIAP2_Q13489_451_lig_smina_out.mol2", "protac_path": "4153_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6782": {"pro_comp_id": 4153, "tar_path": "XIAP_P98170.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "XIAP_P98170_451_lig_smina_out.mol2", "protac_path": "4153_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6784": {"pro_comp_id": 4154, "tar_path": "cIAP1_Q13490.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "cIAP1_Q13490_451_lig_smina_out.mol2", "protac_path": "4154_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6785": {"pro_comp_id": 4154, "tar_path": "cIAP2_Q13489.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "cIAP2_Q13489_451_lig_smina_out.mol2", "protac_path": "4154_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6786": {"pro_comp_id": 4154, "tar_path": "XIAP_P98170.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "XIAP_P98170_451_lig_smina_out.mol2", "protac_path": "4154_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6788": {"pro_comp_id": 4155, "tar_path": "cIAP1_Q13490.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "cIAP1_Q13490_451_lig_smina_out.mol2", "protac_path": "4155_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCCCCCOCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6789": {"pro_comp_id": 4155, "tar_path": "cIAP2_Q13489.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "cIAP2_Q13489_451_lig_smina_out.mol2", "protac_path": "4155_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCCCCCOCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6790": {"pro_comp_id": 4155, "tar_path": "XIAP_P98170.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "XIAP_P98170_451_lig_smina_out.mol2", "protac_path": "4155_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCCCCCOCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6792": {"pro_comp_id": 4156, "tar_path": "cIAP1_Q13490.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "cIAP1_Q13490_451_lig_smina_out.mol2", "protac_path": "4156_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCOCCCCCOCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6793": {"pro_comp_id": 4156, "tar_path": "cIAP2_Q13489.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "cIAP2_Q13489_451_lig_smina_out.mol2", "protac_path": "4156_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCOCCCCCOCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6794": {"pro_comp_id": 4156, "tar_path": "XIAP_P98170.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "XIAP_P98170_451_lig_smina_out.mol2", "protac_path": "4156_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCOCCCCCOCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6796": {"pro_comp_id": 4157, "tar_path": "cIAP1_Q13490.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "cIAP1_Q13490_451_lig_smina_out.mol2", "protac_path": "4157_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCOCCCCCCOCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6797": {"pro_comp_id": 4157, "tar_path": "cIAP2_Q13489.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "cIAP2_Q13489_451_lig_smina_out.mol2", "protac_path": "4157_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCOCCCCCCOCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6798": {"pro_comp_id": 4157, "tar_path": "XIAP_P98170.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "XIAP_P98170_451_lig_smina_out.mol2", "protac_path": "4157_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCOCCCCCCOCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1", "label": -1}, "6800": {"pro_comp_id": 4158, "tar_path": "PTP1B_P18031.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PTP1B_P18031_454_lig_smina_out.mol2", "protac_path": "4158_protac.mol2", "smiles": "COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)NCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1O", "label": -1}, "6801": {"pro_comp_id": 4158, "tar_path": "PTPN2_P17706.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PTPN2_P17706_454_lig_smina_out.mol2", "protac_path": "4158_protac.mol2", "smiles": "COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)NCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1O", "label": -1}, "6802": {"pro_comp_id": 4159, "tar_path": "PTP1B_P18031.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PTP1B_P18031_454_lig_smina_out.mol2", "protac_path": "4159_protac.mol2", "smiles": "COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)NCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1O", "label": -1}, "6803": {"pro_comp_id": 4159, "tar_path": "PTPN2_P17706.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PTPN2_P17706_454_lig_smina_out.mol2", "protac_path": "4159_protac.mol2", "smiles": "COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)NCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1O", "label": -1}, "6804": {"pro_comp_id": 4160, "tar_path": "PTP1B_P18031.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PTP1B_P18031_454_lig_smina_out.mol2", "protac_path": "4160_protac.mol2", "smiles": "COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)NCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1O", "label": -1}, "6805": {"pro_comp_id": 4160, "tar_path": "PTPN2_P17706.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PTPN2_P17706_454_lig_smina_out.mol2", "protac_path": "4160_protac.mol2", "smiles": "COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)NCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1O", "label": -1}, "6806": {"pro_comp_id": 4161, "tar_path": "PTP1B_P18031.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PTP1B_P18031_454_lig_smina_out.mol2", "protac_path": "4161_protac.mol2", "smiles": "COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)NCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1O", "label": -1}, "6807": {"pro_comp_id": 4161, "tar_path": "PTPN2_P17706.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PTPN2_P17706_454_lig_smina_out.mol2", "protac_path": "4161_protac.mol2", "smiles": "COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)NCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1O", "label": -1}, "6808": {"pro_comp_id": 4162, "tar_path": "PTP1B_P18031.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PTP1B_P18031_454_lig_smina_out.mol2", "protac_path": "4162_protac.mol2", "smiles": "COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)NCCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1O", "label": -1}, "6809": {"pro_comp_id": 4162, "tar_path": "PTPN2_P17706.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PTPN2_P17706_454_lig_smina_out.mol2", "protac_path": "4162_protac.mol2", "smiles": "COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)NCCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1O", "label": -1}, "6810": {"pro_comp_id": 4163, "tar_path": "PTP1B_P18031.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PTP1B_P18031_454_lig_smina_out.mol2", "protac_path": "4163_protac.mol2", "smiles": "COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)NCCCCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1O", "label": -1}, "6811": {"pro_comp_id": 4163, "tar_path": "PTPN2_P17706.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PTPN2_P17706_454_lig_smina_out.mol2", "protac_path": "4163_protac.mol2", "smiles": "COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)NCCCCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1O", "label": -1}, "6812": {"pro_comp_id": 4164, "tar_path": "PTP1B_P18031.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PTP1B_P18031_454_lig_smina_out.mol2", "protac_path": "4164_protac.mol2", "smiles": "COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)NCCOCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1O", "label": -1}, "6813": {"pro_comp_id": 4164, "tar_path": "PTPN2_P17706.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PTPN2_P17706_454_lig_smina_out.mol2", "protac_path": "4164_protac.mol2", "smiles": "COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)NCCOCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1O", "label": -1}, "6814": {"pro_comp_id": 4165, "tar_path": "PTP1B_P18031.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PTP1B_P18031_454_lig_smina_out.mol2", "protac_path": "4165_protac.mol2", "smiles": "COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)NCCOCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1O", "label": -1}, "6815": {"pro_comp_id": 4165, "tar_path": "PTPN2_P17706.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PTPN2_P17706_454_lig_smina_out.mol2", "protac_path": "4165_protac.mol2", "smiles": "COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)NCCOCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1O", "label": -1}, "6816": {"pro_comp_id": 4166, "tar_path": "PTP1B_P18031.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PTP1B_P18031_454_lig_smina_out.mol2", "protac_path": "4166_protac.mol2", "smiles": "COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)NCC2=CC=CC=C2CCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1O", "label": -1}, "6817": {"pro_comp_id": 4166, "tar_path": "PTPN2_P17706.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PTPN2_P17706_454_lig_smina_out.mol2", "protac_path": "4166_protac.mol2", "smiles": "COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)NCC2=CC=CC=C2CCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1O", "label": -1}, "6818": {"pro_comp_id": 4167, "tar_path": "PTP1B_P18031.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PTP1B_P18031_454_lig_smina_out.mol2", "protac_path": "4167_protac.mol2", "smiles": "COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)NCC2=CC=CC(CC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)=CC=C1O", "label": -1}, "6819": {"pro_comp_id": 4167, "tar_path": "PTPN2_P17706.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PTPN2_P17706_454_lig_smina_out.mol2", "protac_path": "4167_protac.mol2", "smiles": "COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)NCC2=CC=CC(CC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)=CC=C1O", "label": -1}, "6820": {"pro_comp_id": 4168, "tar_path": "PTP1B_P18031.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PTP1B_P18031_454_lig_smina_out.mol2", "protac_path": "4168_protac.mol2", "smiles": "COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)NCC2=CC=C(C(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C=C2)=CC=C1O", "label": -1}, "6821": {"pro_comp_id": 4168, "tar_path": "PTPN2_P17706.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PTPN2_P17706_454_lig_smina_out.mol2", "protac_path": "4168_protac.mol2", "smiles": "COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)NCC2=CC=C(C(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C=C2)=CC=C1O", "label": -1}, "6822": {"pro_comp_id": 4169, "tar_path": "PTP1B_P18031.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PTP1B_P18031_454_lig_smina_out.mol2", "protac_path": "4169_protac.mol2", "smiles": "COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)N2CCC(CCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1O", "label": -1}, "6823": {"pro_comp_id": 4169, "tar_path": "PTPN2_P17706.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PTPN2_P17706_454_lig_smina_out.mol2", "protac_path": "4169_protac.mol2", "smiles": "COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)N2CCC(CCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1O", "label": -1}, "6824": {"pro_comp_id": 4170, "tar_path": "PTP1B_P18031.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PTP1B_P18031_454_lig_smina_out.mol2", "protac_path": "4170_protac.mol2", "smiles": "COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)N2CCN(CCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1O", "label": -1}, "6825": {"pro_comp_id": 4170, "tar_path": "PTPN2_P17706.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PTPN2_P17706_454_lig_smina_out.mol2", "protac_path": "4170_protac.mol2", "smiles": "COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)N2CCN(CCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1O", "label": -1}, "6826": {"pro_comp_id": 4171, "tar_path": "PTP1B_P18031.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PTP1B_P18031_454_lig_smina_out.mol2", "protac_path": "4171_protac.mol2", "smiles": "COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)NCC2=CC=CC(CC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)=CC=C1O", "label": -1}, "6827": {"pro_comp_id": 4171, "tar_path": "PTPN2_P17706.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PTPN2_P17706_454_lig_smina_out.mol2", "protac_path": "4171_protac.mol2", "smiles": "COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)NCC2=CC=CC(CC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)=CC=C1O", "label": -1}, "6835": {"pro_comp_id": 4179, "tar_path": "ITK_Q08881.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ITK_Q08881_456_lig_smina_out.mol2", "protac_path": "4179_protac.mol2", "smiles": "CN(CCOCCOCC(=O)NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC[C@@H](C1=CC=CC=C1)N1C=C(NC(=O)C2=N[NH]C3=C2CCC(C)(C)C3)C=N1", "label": -1}, "6836": {"pro_comp_id": 4180, "tar_path": "ITK_Q08881.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ITK_Q08881_456_lig_smina_out.mol2", "protac_path": "4180_protac.mol2", "smiles": "CN(CCOCCOCCOCC(=O)NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC[C@@H](C1=CC=CC=C1)N1C=C(NC(=O)C2=N[NH]C3=C2CCC(C)(C)C3)C=N1", "label": -1}, "6837": {"pro_comp_id": 4181, "tar_path": "ITK_Q08881.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ITK_Q08881_456_lig_smina_out.mol2", "protac_path": "4181_protac.mol2", "smiles": "CN(CCOCCOCCOCCOCC(=O)NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC[C@@H](C1=CC=CC=C1)N1C=C(NC(=O)C2=N[NH]C3=C2CCC(C)(C)C3)C=N1", "label": -1}, "6838": {"pro_comp_id": 4182, "tar_path": "ITK_Q08881.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ITK_Q08881_456_lig_smina_out.mol2", "protac_path": "4182_protac.mol2", "smiles": "CN(CCOCCNC(=O)CNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC[C@@H](C1=CC=CC=C1)N1C=C(NC(=O)C2=N[NH]C3=C2CCC(C)(C)C3)C=N1", "label": -1}, "6839": {"pro_comp_id": 4183, "tar_path": "ITK_Q08881.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ITK_Q08881_456_lig_smina_out.mol2", "protac_path": "4183_protac.mol2", "smiles": "CN(CCOCCOCCNC(=O)CNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC[C@@H](C1=CC=CC=C1)N1C=C(NC(=O)C2=N[NH]C3=C2CCC(C)(C)C3)C=N1", "label": -1}, "6840": {"pro_comp_id": 4184, "tar_path": "ITK_Q08881.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ITK_Q08881_456_lig_smina_out.mol2", "protac_path": "4184_protac.mol2", "smiles": "CN(CCOCCOCCOCCNC(=O)CNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC[C@@H](C1=CC=CC=C1)N1C=C(NC(=O)C2=N[NH]C3=C2CCC(C)(C)C3)C=N1", "label": -1}, "6841": {"pro_comp_id": 4185, "tar_path": "ITK_Q08881.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ITK_Q08881_456_lig_smina_out.mol2", "protac_path": "4185_protac.mol2", "smiles": "CN(CCOCCC(=O)NC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1)CC[C@@H](C1=CC=CC=C1)N1C=C(NC(=O)C2=N[NH]C3=C2CCC(C)(C)C3)C=N1", "label": -1}, "6842": {"pro_comp_id": 4186, "tar_path": "ITK_Q08881.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ITK_Q08881_456_lig_smina_out.mol2", "protac_path": "4186_protac.mol2", "smiles": "CN(CCOCCOCC(=O)NC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1)CC[C@@H](C1=CC=CC=C1)N1C=C(NC(=O)C2=N[NH]C3=C2CCC(C)(C)C3)C=N1", "label": -1}, "6843": {"pro_comp_id": 4187, "tar_path": "ITK_Q08881.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ITK_Q08881_456_lig_smina_out.mol2", "protac_path": "4187_protac.mol2", "smiles": "CN(CCOCCOCCOCC(=O)NC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1)CC[C@@H](C1=CC=CC=C1)N1C=C(NC(=O)C2=N[NH]C3=C2CCC(C)(C)C3)C=N1", "label": -1}, "6844": {"pro_comp_id": 4188, "tar_path": "ITK_Q08881.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ITK_Q08881_456_lig_smina_out.mol2", "protac_path": "4188_protac.mol2", "smiles": "CN(CCOCCOCCOCCOCC(=O)NC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1)CC[C@@H](C1=CC=CC=C1)N1C=C(NC(=O)C2=N[NH]C3=C2CCC(C)(C)C3)C=N1", "label": -1}, "6845": {"pro_comp_id": 4189, "tar_path": "ITK_Q08881.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ITK_Q08881_456_lig_smina_out.mol2", "protac_path": "4189_protac.mol2", "smiles": "CN(CCCCC(=O)NC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1)CC[C@@H](C1=CC=CC=C1)N1C=C(NC(=O)C2=N[NH]C3=C2CCC(C)(C)C3)C=N1", "label": -1}, "6846": {"pro_comp_id": 4190, "tar_path": "ITK_Q08881.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ITK_Q08881_456_lig_smina_out.mol2", "protac_path": "4190_protac.mol2", "smiles": "CN(CCCCCC(=O)NC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1)CC[C@@H](C1=CC=CC=C1)N1C=C(NC(=O)C2=N[NH]C3=C2CCC(C)(C)C3)C=N1", "label": -1}, "6847": {"pro_comp_id": 4191, "tar_path": "ITK_Q08881.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ITK_Q08881_456_lig_smina_out.mol2", "protac_path": "4191_protac.mol2", "smiles": "CN(CCCCCCC(=O)NC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1)CC[C@@H](C1=CC=CC=C1)N1C=C(NC(=O)C2=N[NH]C3=C2CCC(C)(C)C3)C=N1", "label": -1}, "6848": {"pro_comp_id": 4192, "tar_path": "ITK_Q08881.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ITK_Q08881_456_lig_smina_out.mol2", "protac_path": "4192_protac.mol2", "smiles": "CN(CCCCCCCCC(=O)NC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1)CC[C@@H](C1=CC=CC=C1)N1C=C(NC(=O)C2=N[NH]C3=C2CCC(C)(C)C3)C=N1", "label": -1}, "6849": {"pro_comp_id": 4193, "tar_path": "ITK_Q08881.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ITK_Q08881_456_lig_smina_out.mol2", "protac_path": "4193_protac.mol2", "smiles": "CN(CCCCCCCCCCC(=O)NC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1)CC[C@@H](C1=CC=CC=C1)N1C=C(NC(=O)C2=N[NH]C3=C2CCC(C)(C)C3)C=N1", "label": -1}, "6850": {"pro_comp_id": 4194, "tar_path": "ITK_Q08881.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ITK_Q08881_456_lig_smina_out.mol2", "protac_path": "4194_protac.mol2", "smiles": "CC1(C)CCC2=C(C1)[NH]N=C2C(=O)NC1=CN([C@@H](CCN2CCN(CCC3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)CC2)C2=CC=CC=C2)N=C1", "label": -1}, "6851": {"pro_comp_id": 4195, "tar_path": "ITK_Q08881.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ITK_Q08881_456_lig_smina_out.mol2", "protac_path": "4195_protac.mol2", "smiles": "CC1(C)CCC2=C(C1)[NH]N=C2C(=O)NC1=CN([C@@H](CCN2CCN(CC3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)CC2)C2=CC=CC=C2)N=C1", "label": -1}, "6852": {"pro_comp_id": 4196, "tar_path": "ITK_Q08881.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ITK_Q08881_456_lig_smina_out.mol2", "protac_path": "4196_protac.mol2", "smiles": "CC1(C)CCC2=C(C1)[NH]N=C2C(=O)NC1=CN([C@@H](CCN2CCN(CCC3CN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C3)CC2)C2=CC=CC=C2)N=C1", "label": -1}, "6853": {"pro_comp_id": 4197, "tar_path": "ITK_Q08881.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ITK_Q08881_456_lig_smina_out.mol2", "protac_path": "4197_protac.mol2", "smiles": "CC1(C)CCC2=C(C1)[NH]N=C2C(=O)NC1=CN([C@@H](CCN2CCN(CC3CN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C3)CC2)C2=CC=CC=C2)N=C1", "label": -1}, "6854": {"pro_comp_id": 4198, "tar_path": "sEH_G0R7E2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "sEH_G0R7E2_457_lig_smina_out.mol2", "protac_path": "4198_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCNC(=O)C1=CC=C(O[C@H]2CC[C@H](NC(=O)NC3=CC=C(OC(F)(F)F)C=C3)CC2)C=C1", "label": -1}, "6855": {"pro_comp_id": 4199, "tar_path": "sEH_G0R7E2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "sEH_G0R7E2_457_lig_smina_out.mol2", "protac_path": "4199_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOCCOCCNC(=O)C1=CC=C(O[C@H]2CC[C@H](NC(=O)NC3=CC=C(OC(F)(F)F)C=C3)CC2)C=C1", "label": -1}, "6856": {"pro_comp_id": 4200, "tar_path": "sEH_G0R7E2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "sEH_G0R7E2_457_lig_smina_out.mol2", "protac_path": "4200_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCNC(=O)C1=CC=C(O[C@H]2CC[C@H](NC(=O)NC3=CC=C(OC(F)(F)F)C=C3)CC2)C=C1", "label": -1}, "6857": {"pro_comp_id": 4201, "tar_path": "sEH_G0R7E2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "sEH_G0R7E2_457_lig_smina_out.mol2", "protac_path": "4201_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCNC(=O)C3=CC=C(O[C@H]4CC[C@H](NC(=O)NC5=CC=C(OC(F)(F)F)C=C5)CC4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6858": {"pro_comp_id": 4202, "tar_path": "sEH_G0R7E2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "sEH_G0R7E2_457_lig_smina_out.mol2", "protac_path": "4202_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCNC(=O)C3=CC=C(O[C@H]4CC[C@H](NC(=O)NC5=CC=C(OC(F)(F)F)C=C5)CC4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6859": {"pro_comp_id": 4203, "tar_path": "sEH_G0R7E2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "sEH_G0R7E2_457_lig_smina_out.mol2", "protac_path": "4203_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)C3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCNC(=O)C3=CC=C(O[C@H]4CC[C@H](NC(=O)NC5=CC=C(OC(F)(F)F)C=C5)CC4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6860": {"pro_comp_id": 4204, "tar_path": "sEH_G0R7E2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "sEH_G0R7E2_458_lig_smina_out.mol2", "protac_path": "4204_protac.mol2", "smiles": "O=C(CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)NCCOCCOCCOCCOCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "6861": {"pro_comp_id": 4205, "tar_path": "sEH_G0R7E2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "sEH_G0R7E2_458_lig_smina_out.mol2", "protac_path": "4205_protac.mol2", "smiles": "O=C(CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)NCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "6862": {"pro_comp_id": 4206, "tar_path": "sEH_G0R7E2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "sEH_G0R7E2_458_lig_smina_out.mol2", "protac_path": "4206_protac.mol2", "smiles": "O=C(CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)NCCOCCOCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "6863": {"pro_comp_id": 4207, "tar_path": "sEH_G0R7E2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "sEH_G0R7E2_458_lig_smina_out.mol2", "protac_path": "4207_protac.mol2", "smiles": "O=C(CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)NCCCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "6864": {"pro_comp_id": 4208, "tar_path": "sEH_G0R7E2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "sEH_G0R7E2_458_lig_smina_out.mol2", "protac_path": "4208_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCNC(=O)CCCCCCCCCCCNC(=O)NC34CC5CC(CC(C5)C3)C4)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6865": {"pro_comp_id": 4209, "tar_path": "sEH_G0R7E2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "sEH_G0R7E2_458_lig_smina_out.mol2", "protac_path": "4209_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCNC(=O)CCCCCCCCCCCNC(=O)NC34CC5CC(CC(C5)C3)C4)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6866": {"pro_comp_id": 4210, "tar_path": "sEH_G0R7E2.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "sEH_G0R7E2_458_lig_smina_out.mol2", "protac_path": "4210_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCNC(=O)CCCCCCCCCCCNC(=O)NC34CC5CC(CC(C5)C3)C4)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6867": {"pro_comp_id": 4211, "tar_path": "IMPDH_A0A384N6C2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IMPDH_A0A384N6C2_459_lig_smina_out.mol2", "protac_path": "4211_protac.mol2", "smiles": "COC1=C(C)C2=C(C(=O)OC2)C(O)=C1C/C=C(\\C)CCC(=O)NCCOCC1=CN(CC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1", "label": -1}, "6868": {"pro_comp_id": 4212, "tar_path": "IMPDH_A0A384N6C2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IMPDH_A0A384N6C2_459_lig_smina_out.mol2", "protac_path": "4212_protac.mol2", "smiles": "COC1=C(C)C2=C(C(=O)OC2)C(O)=C1C/C=C(\\C)CCC(=O)NCCCOCC1=CN(CC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1", "label": -1}, "6869": {"pro_comp_id": 4213, "tar_path": "IMPDH_A0A384N6C2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IMPDH_A0A384N6C2_459_lig_smina_out.mol2", "protac_path": "4213_protac.mol2", "smiles": "COC1=C(C)C2=C(C(=O)OC2)C(O)=C1C/C=C(\\C)CCC(=O)NCCCN1C=C(COCCOCCOCC2=CN(CC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)N=N1", "label": -1}, "6870": {"pro_comp_id": 4214, "tar_path": "IMPDH_A0A384N6C2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IMPDH_A0A384N6C2_459_lig_smina_out.mol2", "protac_path": "4214_protac.mol2", "smiles": "COC1=C(C)C2=C(C(=O)OC2)C(O)=C1C/C=C(\\C)CCC(=O)NCCCN1C=C(COCCOCCOCCOCC2=CN(CC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)N=N1", "label": -1}, "6871": {"pro_comp_id": 4215, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GPX4_P36969_426_lig_smina_out.mol2", "protac_path": "4215_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCN(C(=O)CCl)C(C(=O)NCC4=CC=CC=C4)C4=CC=CS4)=C3C2=O)C(=O)N1", "label": -1}, "6872": {"pro_comp_id": 4216, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GPX4_P36969_426_lig_smina_out.mol2", "protac_path": "4216_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCN(C(=O)CCl)C(C(=O)NCC4=CC=CC=C4)C4=CC=CS4)=C3C2=O)C(=O)N1", "label": -1}, "6873": {"pro_comp_id": 4217, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GPX4_P36969_426_lig_smina_out.mol2", "protac_path": "4217_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCN(C(=O)CCl)C(C(=O)NCC4=CC=CC=C4)C4=CC=CS4)=C3C2=O)C(=O)N1", "label": -1}, "6874": {"pro_comp_id": 4218, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GPX4_P36969_426_lig_smina_out.mol2", "protac_path": "4218_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCN(C(=O)CCl)C(C(=O)NCC4=CC=CC=C4)C4=CC=CS4)=C3C2=O)C(=O)N1", "label": -1}, "6875": {"pro_comp_id": 4219, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GPX4_P36969_426_lig_smina_out.mol2", "protac_path": "4219_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCN(C(=O)CCl)C(C(=O)NCC4=CC=CC=C4)C4=CC=CS4)=C3C2=O)C(=O)N1", "label": -1}, "6876": {"pro_comp_id": 4220, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_9_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "4220_protac.mol2", "smiles": "CCOC1=CC(C(C)(C)C)=CC=C1C1=NC(C2=CC=C(Cl)C=C2)C(C2=CC=C(Cl)C=C2)N1C(=O)N1CCN(C(=O)CCCCCCNC(=O)CN2CCN(CC[C@H](CSC3=CC=CC=C3)NC3=CC=C(S(=O)(=O)NC(=O)C4=CC=C(N5CCN(CC6=C(C7=CC=C(Cl)C=C7)CCC(C)(C)C6)CC5)C=C4)C=C3S(=O)(=O)C(F)(F)F)CC2)CC1", "label": -1}, "6877": {"pro_comp_id": 4221, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_9_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "4221_protac.mol2", "smiles": "CCOC1=CC(C(C)(C)C)=CC=C1C1=NC(C2=CC=C(Cl)C=C2)C(C2=CC=C(Cl)C=C2)N1C(=O)N1CCN(C(=O)CCCCCCCCCCNC(=O)CN2CCN(CC[C@H](CSC3=CC=CC=C3)NC3=CC=C(S(=O)(=O)NC(=O)C4=CC=C(N5CCN(CC6=C(C7=CC=C(Cl)C=C7)CCC(C)(C)C6)CC5)C=C4)C=C3S(=O)(=O)C(F)(F)F)CC2)CC1", "label": -1}, "6878": {"pro_comp_id": 4222, "tar_path": "BCL-xL_Q07817.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_9_lig_smina_out.mol2", "war_path": "BCL-xL_Q07817_73_lig_smina_out.mol2", "protac_path": "4222_protac.mol2", "smiles": "CCOC1=CC(C(C)(C)C)=CC=C1C1=NC(C2=CC=C(Cl)C=C2)C(C2=CC=C(Cl)C=C2)N1C(=O)N1CCN(C(=O)CCCCCCCCNC(=O)CN2CCN(CC[C@H](CSC3=CC=CC=C3)NC3=CC=C(S(=O)(=O)NC(=O)C4=CC=C(N5CCN(CC6=C(C7=CC=C(Cl)C=C7)CCC(C)(C)C6)CC5)C=C4)C=C3S(=O)(=O)C(F)(F)F)CC2)CC1", "label": -1}, "6879": {"pro_comp_id": 4223, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_460_lig_smina_out.mol2", "protac_path": "4223_protac.mol2", "smiles": "CC1=CC(C)=[N+]2C1=C(CCCNC(=O)C(C1=CC=C(CNC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C1)N1CCOCC1)C1=C(C)C=C(C)N1[B-]2(F)F", "label": -1}, "6880": {"pro_comp_id": 4224, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4224_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCCCCNC(=O)C(C1=CC=C(CNC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C1)N1CCOCC1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "6881": {"pro_comp_id": 4225, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4225_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCOCCNC(=O)C(C1=CC=C(CNC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C1)N1CCOCC1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "6882": {"pro_comp_id": 4226, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4226_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCOCCOCCNC(=O)C(C1=CC=C(CNC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C1)N1CCOCC1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "6883": {"pro_comp_id": 4227, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4227_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCOCCOCCOCCNC(=O)C(C1=CC=C(CNC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C1)N1CCOCC1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "6885": {"pro_comp_id": 4229, "tar_path": "MCL1_Q07820.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MCL1_Q07820_62_lig_smina_out.mol2", "protac_path": "4229_protac.mol2", "smiles": "O=C(CCCCC(=O)NCCN1C(=O)C2=CC=CC3=C(SC4=CC=C(Br)C=C4)C=CC(=C23)C1=O)NCCCCCCOC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "6886": {"pro_comp_id": 4230, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_275_lig_smina_out.mol2", "protac_path": "4230_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(N[C@@H]2CCCN(CCCCC3=CN(CCCCCCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C2)=NC=C1Cl", "label": -1}, "6887": {"pro_comp_id": 4231, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_275_lig_smina_out.mol2", "protac_path": "4231_protac.mol2", "smiles": "CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(N[C@@H]2CCCN(CCCCC3=CN(CCCCCCCOC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)N=N3)C2)=NC=C1Cl", "label": -1}, "6888": {"pro_comp_id": 4232, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_275_lig_smina_out.mol2", "protac_path": "4232_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCNC(=O)CN3CCC[C@@H](NC4=NC=C(Cl)C(NC5=CC=CC=C5S(=O)(=O)C(C)C)=N4)C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6889": {"pro_comp_id": 4233, "tar_path": "PIP4K2C_Q8TBX8.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PIP4K2C_Q8TBX8_462_lig_smina_out.mol2", "protac_path": "4233_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCNC(=O)C3=CN=CC(NC4=NC=C(Cl)C(C5=CC=CC(C6=CC=CC=C6)=C5)=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6890": {"pro_comp_id": 4234, "tar_path": "PIP4K2C_Q8TBX8.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PIP4K2C_Q8TBX8_462_lig_smina_out.mol2", "protac_path": "4234_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCNC(=O)C3=CN=CC(NC4=NC=C(Cl)C(C5=CC=CC(C6=CC=CC=C6)=C5)=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6891": {"pro_comp_id": 4235, "tar_path": "PIP4K2C_Q8TBX8.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PIP4K2C_Q8TBX8_462_lig_smina_out.mol2", "protac_path": "4235_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCNC(=O)C3=CN=CC(NC4=NC=C(Cl)C(C5=CC=CC(C6=CC=CC=C6)=C5)=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6892": {"pro_comp_id": 4236, "tar_path": "PIP4K2C_Q8TBX8.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "PIP4K2C_Q8TBX8_462_lig_smina_out.mol2", "protac_path": "4236_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCCCCCCCCCCNC(=O)C3=CN=CC(NC4=NC=C(Cl)C(C5=CC=CC(C6=CC=CC=C6)=C5)=N4)=C3)=C2)SC=N1", "label": -1}, "6893": {"pro_comp_id": 4237, "tar_path": "PIP4K2C_Q8TBX8.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "PIP4K2C_Q8TBX8_462_lig_smina_out.mol2", "protac_path": "4237_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCCCCCC(=O)N3CCC4(CC3)CCN(C3=CN=CC(NC5=NC=C(Cl)C(C6=CC=CC(C7=CC=CC=C7)=C6)=N5)=C3)C4=O)=C2)SC=N1", "label": -1}, "6894": {"pro_comp_id": 4238, "tar_path": "PIP4K2C_Q8TBX8.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PIP4K2C_Q8TBX8_462_lig_smina_out.mol2", "protac_path": "4238_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCC(=O)N3CCC4(CC3)CCN(C3=CN=CC(NC5=NC=C(Cl)C(C6=CC=CC(C7=CC=CC=C7)=C6)=N5)=C3)C4=O)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6895": {"pro_comp_id": 4239, "tar_path": "PIP4K2C_Q8TBX8.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PIP4K2C_Q8TBX8_462_lig_smina_out.mol2", "protac_path": "4239_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCC(=O)N3CCC4(CC3)CCN(C3=CN=CC(NC5=NC=C(Cl)C(C6=CC=CC(C7=CC=CC=C7)=C6)=N5)=C3)C4=O)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6896": {"pro_comp_id": 4240, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SOS1_Q07889_463_lig_smina_out.mol2", "protac_path": "4240_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1C1CCN(C(=O)CCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": -1}, "6897": {"pro_comp_id": 4241, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SOS1_Q07889_463_lig_smina_out.mol2", "protac_path": "4241_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1C1CCN(C(=O)CCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": -1}, "6898": {"pro_comp_id": 4242, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SOS1_Q07889_463_lig_smina_out.mol2", "protac_path": "4242_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1C1CCN(C(=O)CCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": -1}, "6899": {"pro_comp_id": 4243, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SOS1_Q07889_463_lig_smina_out.mol2", "protac_path": "4243_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1C1CCN(C(=O)CCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": -1}, "6900": {"pro_comp_id": 4244, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SOS1_Q07889_463_lig_smina_out.mol2", "protac_path": "4244_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1C1CCN(C(=O)CCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": -1}, "6901": {"pro_comp_id": 4245, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SOS1_Q07889_463_lig_smina_out.mol2", "protac_path": "4245_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1C1CCN(C(=O)CCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": -1}, "6902": {"pro_comp_id": 4246, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SOS1_Q07889_463_lig_smina_out.mol2", "protac_path": "4246_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1C1CCN(C(=O)CCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": -1}, "6903": {"pro_comp_id": 4247, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SOS1_Q07889_463_lig_smina_out.mol2", "protac_path": "4247_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1C1CCN(C(=O)COCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": -1}, "6904": {"pro_comp_id": 4248, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SOS1_Q07889_463_lig_smina_out.mol2", "protac_path": "4248_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1C1CCN(C(=O)CCOCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": -1}, "6905": {"pro_comp_id": 4249, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SOS1_Q07889_463_lig_smina_out.mol2", "protac_path": "4249_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1C1CCN(C(=O)CCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": -1}, "6906": {"pro_comp_id": 4250, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SOS1_Q07889_463_lig_smina_out.mol2", "protac_path": "4250_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1C1CCN(C(=O)COCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": -1}, "6907": {"pro_comp_id": 4251, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SOS1_Q07889_463_lig_smina_out.mol2", "protac_path": "4251_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1C1CCN(CCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": -1}, "6908": {"pro_comp_id": 4252, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SOS1_Q07889_463_lig_smina_out.mol2", "protac_path": "4252_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1C1CCN(CCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": -1}, "6909": {"pro_comp_id": 4253, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SOS1_Q07889_463_lig_smina_out.mol2", "protac_path": "4253_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1C1CCN(CCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1", "label": -1}, "6910": {"pro_comp_id": 4254, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SOS1_Q07889_463_lig_smina_out.mol2", "protac_path": "4254_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1C1CCN(C(=O)[C@H]2CC[C@H](C(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)CC1", "label": -1}, "6911": {"pro_comp_id": 4255, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SOS1_Q07889_463_lig_smina_out.mol2", "protac_path": "4255_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1C1CCN(C(=O)C2CN(CCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C2)CC1", "label": -1}, "6912": {"pro_comp_id": 4256, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SOS1_Q07889_463_lig_smina_out.mol2", "protac_path": "4256_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1C1CCN(C(=O)C2CCN(CCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)CC1", "label": -1}, "6913": {"pro_comp_id": 4257, "tar_path": "EED_O75530.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EED_O75530_103_lig_smina_out.mol2", "protac_path": "4257_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCNCC3=CC=C(C4=CN=C(NCC5=CC=CO5)N5C=NN=C45)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6914": {"pro_comp_id": 4257, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_103_lig_smina_out.mol2", "protac_path": "4257_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCNCC3=CC=C(C4=CN=C(NCC5=CC=CO5)N5C=NN=C45)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6915": {"pro_comp_id": 4258, "tar_path": "EED_O75530.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EED_O75530_103_lig_smina_out.mol2", "protac_path": "4258_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3CC(NC(=O)C4=CC=C(C5=CN=C(NCC6=CC=CO6)N6C=NN=C56)C=C4)C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6916": {"pro_comp_id": 4258, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_103_lig_smina_out.mol2", "protac_path": "4258_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3CC(NC(=O)C4=CC=C(C5=CN=C(NCC6=CC=CO6)N6C=NN=C56)C=C4)C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6917": {"pro_comp_id": 4259, "tar_path": "EED_O75530.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EED_O75530_103_lig_smina_out.mol2", "protac_path": "4259_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3CC(NCC4=CC=C(C5=CN=C(NCC6=CC=CO6)N6C=NN=C56)C=C4)C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6918": {"pro_comp_id": 4259, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_103_lig_smina_out.mol2", "protac_path": "4259_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3CC(NCC4=CC=C(C5=CN=C(NCC6=CC=CO6)N6C=NN=C56)C=C4)C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6919": {"pro_comp_id": 4260, "tar_path": "EED_O75530.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EED_O75530_103_lig_smina_out.mol2", "protac_path": "4260_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3CCN(C(=O)C4=CC=C(C5=CN=C(NCC6=CC=CO6)N6C=NN=C56)C=C4)C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6920": {"pro_comp_id": 4260, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_103_lig_smina_out.mol2", "protac_path": "4260_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3CCN(C(=O)C4=CC=C(C5=CN=C(NCC6=CC=CO6)N6C=NN=C56)C=C4)C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6921": {"pro_comp_id": 4261, "tar_path": "EED_O75530.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EED_O75530_103_lig_smina_out.mol2", "protac_path": "4261_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3CCN(C(=O)C4=CC=C(C5=CN=C(NCC6=CC=CO6)N6C=NN=C56)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6922": {"pro_comp_id": 4261, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_103_lig_smina_out.mol2", "protac_path": "4261_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3CCN(C(=O)C4=CC=C(C5=CN=C(NCC6=CC=CO6)N6C=NN=C56)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6923": {"pro_comp_id": 4262, "tar_path": "EED_O75530.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EED_O75530_103_lig_smina_out.mol2", "protac_path": "4262_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3CCN(S(=O)(=O)C4=CC=C(C5=CN=C(NCC6=CC=CO6)N6C=NN=C56)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6924": {"pro_comp_id": 4262, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_103_lig_smina_out.mol2", "protac_path": "4262_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3CCN(S(=O)(=O)C4=CC=C(C5=CN=C(NCC6=CC=CO6)N6C=NN=C56)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6925": {"pro_comp_id": 4263, "tar_path": "EED_O75530.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EED_O75530_103_lig_smina_out.mol2", "protac_path": "4263_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3CCN(CC4=CC=C(C5=CN=C(NCC6=CC=CO6)N6C=NN=C56)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6926": {"pro_comp_id": 4263, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_103_lig_smina_out.mol2", "protac_path": "4263_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3CCN(CC4=CC=C(C5=CN=C(NCC6=CC=CO6)N6C=NN=C56)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6927": {"pro_comp_id": 4264, "tar_path": "EED_O75530.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EED_O75530_103_lig_smina_out.mol2", "protac_path": "4264_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CCN(C(=O)C4=CC=C(C5=CN=C(NCC6=CC=CO6)N6C=NN=C56)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6928": {"pro_comp_id": 4264, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_103_lig_smina_out.mol2", "protac_path": "4264_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CCN(C(=O)C4=CC=C(C5=CN=C(NCC6=CC=CO6)N6C=NN=C56)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6929": {"pro_comp_id": 4265, "tar_path": "EED_O75530.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EED_O75530_103_lig_smina_out.mol2", "protac_path": "4265_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3CCCN(C(=O)C4=CC=C(C5=CN=C(NCC6=CC=CO6)N6C=NN=C56)C=C4)C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6930": {"pro_comp_id": 4265, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_103_lig_smina_out.mol2", "protac_path": "4265_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3CCCN(C(=O)C4=CC=C(C5=CN=C(NCC6=CC=CO6)N6C=NN=C56)C=C4)C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6931": {"pro_comp_id": 4266, "tar_path": "EED_O75530.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EED_O75530_103_lig_smina_out.mol2", "protac_path": "4266_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)[C@H]3C[C@@H](NC(=O)C4=CC=C(C5=CN=C(NCC6=CC=CO6)N6C=NN=C56)C=C4)C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6932": {"pro_comp_id": 4266, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_103_lig_smina_out.mol2", "protac_path": "4266_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)[C@H]3C[C@@H](NC(=O)C4=CC=C(C5=CN=C(NCC6=CC=CO6)N6C=NN=C56)C=C4)C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6934": {"pro_comp_id": 4267, "tar_path": "EED_O75530.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EED_O75530_103_lig_smina_out.mol2", "protac_path": "4267_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)[C@H]3C[C@H](NC(=O)C4=CC=C(C5=CN=C(NCC6=CC=CO6)N6C=NN=C56)C=C4)C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6935": {"pro_comp_id": 4267, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_103_lig_smina_out.mol2", "protac_path": "4267_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)[C@H]3C[C@H](NC(=O)C4=CC=C(C5=CN=C(NCC6=CC=CO6)N6C=NN=C56)C=C4)C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6937": {"pro_comp_id": 4268, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR-V7_P10275_464_lig_smina_out.mol2", "protac_path": "4268_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCOC3=CC=C(C4CCN(C5=NN6C(=NN=C6C(F)(F)F)CC5)CC4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6938": {"pro_comp_id": 4268, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR-V7_P10275_464_lig_smina_out.mol2", "protac_path": "4268_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCOC3=CC=C(C4CCN(C5=NN6C(=NN=C6C(F)(F)F)CC5)CC4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6939": {"pro_comp_id": 4268, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR-V7_P10275_464_lig_smina_out.mol2", "protac_path": "4268_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCOC3=CC=C(C4CCN(C5=NN6C(=NN=C6C(F)(F)F)CC5)CC4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6940": {"pro_comp_id": 4269, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR-V7_P10275_464_lig_smina_out.mol2", "protac_path": "4269_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCCCOC3=CC=C(C4CCN(C5=NN6C(=NN=C6C(F)(F)F)CC5)CC4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6941": {"pro_comp_id": 4269, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR-V7_P10275_464_lig_smina_out.mol2", "protac_path": "4269_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCCCOC3=CC=C(C4CCN(C5=NN6C(=NN=C6C(F)(F)F)CC5)CC4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6942": {"pro_comp_id": 4269, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR-V7_P10275_464_lig_smina_out.mol2", "protac_path": "4269_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCCCOC3=CC=C(C4CCN(C5=NN6C(=NN=C6C(F)(F)F)CC5)CC4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "6943": {"pro_comp_id": 4270, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "AR-V7_P10275_464_lig_smina_out.mol2", "protac_path": "4270_protac.mol2", "smiles": "O=C1CCC(N2CC3=C(NC(=O)COCCCCOC4=CC=C(C5CCN(C6=NN7C(=NN=C7C(F)(F)F)CC6)CC5)C=C4)C=CC=C3C2=O)C(=O)N1", "label": -1}, "6944": {"pro_comp_id": 4270, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "AR-V7_P10275_464_lig_smina_out.mol2", "protac_path": "4270_protac.mol2", "smiles": "O=C1CCC(N2CC3=C(NC(=O)COCCCCOC4=CC=C(C5CCN(C6=NN7C(=NN=C7C(F)(F)F)CC6)CC5)C=C4)C=CC=C3C2=O)C(=O)N1", "label": -1}, "6945": {"pro_comp_id": 4270, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "AR-V7_P10275_464_lig_smina_out.mol2", "protac_path": "4270_protac.mol2", "smiles": "O=C1CCC(N2CC3=C(NC(=O)COCCCCOC4=CC=C(C5CCN(C6=NN7C(=NN=C7C(F)(F)F)CC6)CC5)C=C4)C=CC=C3C2=O)C(=O)N1", "label": -1}, "6948": {"pro_comp_id": 4273, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_74_lig_smina_out.mol2", "war_path": "HDAC3_O15379_480_lig_smina_out.mol2", "protac_path": "4273_protac.mol2", "smiles": "CC1=NC(NC2=NC=C(C(=O)NC3=C(C)C=CC=C3Cl)S2)=CC(N2CCN(CCCNC(=O)COC3=CC=C(C4CCC(=O)NC4=O)C=C3)CC2)=N1", "label": -1}, "6949": {"pro_comp_id": 4274, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_77_lig_smina_out.mol2", "war_path": "HDAC3_O15379_480_lig_smina_out.mol2", "protac_path": "4274_protac.mol2", "smiles": "CC1=NC(NC2=NC=C(C(=O)NC3=C(C)C=CC=C3Cl)S2)=CC(N2CCN(CCCNC(=O)COC3=CC=C(N4CCC(=O)NC4=O)C=C3)CC2)=N1", "label": -1}, "6950": {"pro_comp_id": 4275, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HDAC3_O15379_480_lig_smina_out.mol2", "protac_path": "4275_protac.mol2", "smiles": "CC1=NC(NC2=NC=C(C(=O)NC3=C(C)C=CC=C3Cl)S2)=CC(N2CCN(CCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=N1", "label": -1}, "6951": {"pro_comp_id": 4276, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_74_lig_smina_out.mol2", "war_path": "HDAC3_O15379_480_lig_smina_out.mol2", "protac_path": "4276_protac.mol2", "smiles": "CC1=NC(NC2=NC=C(C(=O)NC3=C(C)C=CC=C3Cl)S2)=CC(N2CCN(CCCC(=O)N3CCN(C4=CC=C(C5CCC(=O)NC5=O)C=C4)CC3)CC2)=N1", "label": -1}, "6952": {"pro_comp_id": 4277, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_77_lig_smina_out.mol2", "war_path": "HDAC3_O15379_480_lig_smina_out.mol2", "protac_path": "4277_protac.mol2", "smiles": "CC1=NC(NC2=NC=C(C(=O)NC3=C(C)C=CC=C3Cl)S2)=CC(N2CCN(CCCC(=O)N3CCN(C4=CC=C(N5CCC(=O)NC5=O)C=C4)CC3)CC2)=N1", "label": -1}, "6965": {"pro_comp_id": 4282, "tar_path": "p38alpha_Q16539.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "p38alpha_Q16539_198_lig_smina_out.mol2", "protac_path": "4282_protac.mol2", "smiles": "CC1=CC=C(C(=O)NCCC2=CN(CCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N2)C=C1N1C(C)=CC(OCC2=CC=C(F)C=C2F)=C(Br)C1=O", "label": -1}, "6966": {"pro_comp_id": 4283, "tar_path": "p38alpha_Q16539.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "p38alpha_Q16539_198_lig_smina_out.mol2", "protac_path": "4283_protac.mol2", "smiles": "CC1=CC=C(C(=O)NCCC2=CN(CCCC(=O)NCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N2)C=C1N1C(C)=CC(OCC2=CC=C(F)C=C2F)=C(Br)C1=O", "label": -1}, "6967": {"pro_comp_id": 4284, "tar_path": "p38alpha_Q16539.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "p38alpha_Q16539_198_lig_smina_out.mol2", "protac_path": "4284_protac.mol2", "smiles": "CC1=CC=C(C(=O)NCCC2=CN(CCCC(=O)NCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N2)C=C1N1C(C)=CC(OCC2=CC=C(F)C=C2F)=C(Br)C1=O", "label": -1}, "6976": {"pro_comp_id": 4293, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4293_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCOC1=NOC([C@@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(Cl)C=C3)C(C)C)=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "6977": {"pro_comp_id": 4294, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4294_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](C3=CC(OCCCCCNC(=O)C[C@@H]4N=C(C5=CC=C(Cl)C=C5)C5=C(SC(C)=C5C)N5C(C)=NN=C45)=NO3)C(C)C)C=C2)SC=N1", "label": -1}, "6978": {"pro_comp_id": 4295, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4295_protac.mol2", "smiles": "CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(Cl)C=C2OCCOCCOCCOCCNC(=O)C[C@@H]2N=C(C3=CC=C(Cl)C=C3)C3=C(SC(C)=C3C)N3C(C)=NN=C23)C(C)C)=C1", "label": -1}, "6979": {"pro_comp_id": 4296, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4296_protac.mol2", "smiles": "CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2OCCOCCOCCOCCNC(=O)C[C@@H]2N=C(C3=CC=C(Cl)C=C3)C3=C(SC(C)=C3C)N3C(C)=NN=C23)C(C)C)=C1", "label": -1}, "6980": {"pro_comp_id": 4297, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4297_protac.mol2", "smiles": "CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)NCCCCNC(=O)C[C@@H]2N=C(C3=CC=C(Cl)C=C3)C3=C(SC(C)=C3C)N3C(C)=NN=C23)C2=CC=C(Cl)C=C2)C(C)C)=C1", "label": -1}, "6981": {"pro_comp_id": 4298, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4298_protac.mol2", "smiles": "CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)NCCOCCOCCNC(=O)C[C@@H]2N=C(C3=CC=C(Cl)C=C3)C3=C(SC(C)=C3C)N3C(C)=NN=C23)C2=CC=C(Cl)C=C2)C(C)C)=C1", "label": -1}, "6982": {"pro_comp_id": 4299, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4299_protac.mol2", "smiles": "CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)NCCOCCOCCOCCNC(=O)C[C@@H]2N=C(C3=CC=C(Cl)C=C3)C3=C(SC(C)=C3C)N3C(C)=NN=C23)C2=CC=C(Cl)C=C2)C(C)C)=C1", "label": -1}, "6983": {"pro_comp_id": 4300, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4300_protac.mol2", "smiles": "CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)NCCCCNC(=O)C[C@@H]2N=C(C3=CC=C(Cl)C=C3)C3=C(SC(C)=C3C)N3C(C)=NN=C23)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1", "label": -1}, "6984": {"pro_comp_id": 4301, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4301_protac.mol2", "smiles": "CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)NCCOCCOCCNC(=O)C[C@@H]2N=C(C3=CC=C(Cl)C=C3)C3=C(SC(C)=C3C)N3C(C)=NN=C23)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1", "label": -1}, "6985": {"pro_comp_id": 4302, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4302_protac.mol2", "smiles": "CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)NCCOCCOCCOCCNC(=O)C[C@@H]2N=C(C3=CC=C(Cl)C=C3)C3=C(SC(C)=C3C)N3C(C)=NN=C23)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1", "label": -1}, "6986": {"pro_comp_id": 4303, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4303_protac.mol2", "smiles": "CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C#CCOCCOCCOCCNC(=O)C[C@@H]4N=C(C5=CC=C(Cl)C=C5)C5=C(SC(C)=C5C)N5C(C)=NN=C45)N=CS3)C=C2)C(C)C)=C1", "label": -1}, "6987": {"pro_comp_id": 4304, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4304_protac.mol2", "smiles": "CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C#CCOCCOCCOCCOCCNC(=O)C[C@@H]4N=C(C5=CC=C(Cl)C=C5)C5=C(SC(C)=C5C)N5C(C)=NN=C45)N=CS3)C=C2)C(C)C)=C1", "label": -1}, "6988": {"pro_comp_id": 4305, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4305_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC#CC1=CC=CC(N3CCC(=O)NC3=O)=C1C)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "6989": {"pro_comp_id": 4306, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4306_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCC#CC1=CC=CC(N3CCC(=O)NC3=O)=C1C)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "6990": {"pro_comp_id": 4307, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4307_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCC#CC1=CC=CC(N3CCC(=O)NC3=O)=C1C)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "6991": {"pro_comp_id": 4308, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4308_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NC1CCN(C(=O)COC3=CC=CC(N4CCC(=O)NC4=O)=C3C)CC1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "6992": {"pro_comp_id": 4309, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4309_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)OCC(=O)NCCC1CCN(C3=CC=CC(N4CCC(=O)NC4=O)=C3C)CC1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7003": {"pro_comp_id": 4320, "tar_path": "STAT5_P42229.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT5_P42229_467_lig_smina_out.mol2", "protac_path": "4320_protac.mol2", "smiles": "CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C(Br)C=C1", "label": -1}, "7004": {"pro_comp_id": 4320, "tar_path": "STAT6_P42226.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT6_P42226_467_lig_smina_out.mol2", "protac_path": "4320_protac.mol2", "smiles": "CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C(Br)C=C1", "label": -1}, "7005": {"pro_comp_id": 4320, "tar_path": "STAT5_P42229.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT5_P42229_467_lig_smina_out.mol2", "protac_path": "4320_protac.mol2", "smiles": "CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C(Br)C=C1", "label": -1}, "7006": {"pro_comp_id": 4321, "tar_path": "STAT5_P42229.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT5_P42229_467_lig_smina_out.mol2", "protac_path": "4321_protac.mol2", "smiles": "CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C(Br)C=C1", "label": -1}, "7007": {"pro_comp_id": 4321, "tar_path": "STAT6_P42226.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT6_P42226_467_lig_smina_out.mol2", "protac_path": "4321_protac.mol2", "smiles": "CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C(Br)C=C1", "label": -1}, "7008": {"pro_comp_id": 4321, "tar_path": "STAT5_P42229.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT5_P42229_467_lig_smina_out.mol2", "protac_path": "4321_protac.mol2", "smiles": "CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C(Br)C=C1", "label": -1}, "7009": {"pro_comp_id": 4322, "tar_path": "STAT5_P42229.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT5_P42229_467_lig_smina_out.mol2", "protac_path": "4322_protac.mol2", "smiles": "CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C(Br)C=C1", "label": -1}, "7010": {"pro_comp_id": 4322, "tar_path": "STAT6_P42226.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT6_P42226_467_lig_smina_out.mol2", "protac_path": "4322_protac.mol2", "smiles": "CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C(Br)C=C1", "label": -1}, "7011": {"pro_comp_id": 4322, "tar_path": "STAT5_P42229.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT5_P42229_467_lig_smina_out.mol2", "protac_path": "4322_protac.mol2", "smiles": "CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C(Br)C=C1", "label": -1}, "7012": {"pro_comp_id": 4323, "tar_path": "STAT5_P42229.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT5_P42229_467_lig_smina_out.mol2", "protac_path": "4323_protac.mol2", "smiles": "CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C(Br)C=C1", "label": -1}, "7013": {"pro_comp_id": 4323, "tar_path": "STAT6_P42226.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT6_P42226_467_lig_smina_out.mol2", "protac_path": "4323_protac.mol2", "smiles": "CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C(Br)C=C1", "label": -1}, "7014": {"pro_comp_id": 4323, "tar_path": "STAT5_P42229.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT5_P42229_467_lig_smina_out.mol2", "protac_path": "4323_protac.mol2", "smiles": "CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C(Br)C=C1", "label": -1}, "7015": {"pro_comp_id": 4324, "tar_path": "STAT5_P42229.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT5_P42229_467_lig_smina_out.mol2", "protac_path": "4324_protac.mol2", "smiles": "CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C(Br)C=C1", "label": -1}, "7016": {"pro_comp_id": 4324, "tar_path": "STAT6_P42226.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT6_P42226_467_lig_smina_out.mol2", "protac_path": "4324_protac.mol2", "smiles": "CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C(Br)C=C1", "label": -1}, "7017": {"pro_comp_id": 4325, "tar_path": "STAT5_P42229.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT5_P42229_467_lig_smina_out.mol2", "protac_path": "4325_protac.mol2", "smiles": "CN(CCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C(=O)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(C)(C)C)C1=CC=C(Br)C=C1", "label": -1}, "7018": {"pro_comp_id": 4325, "tar_path": "STAT6_P42226.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT6_P42226_467_lig_smina_out.mol2", "protac_path": "4325_protac.mol2", "smiles": "CN(CCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C(=O)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(C)(C)C)C1=CC=C(Br)C=C1", "label": -1}, "7019": {"pro_comp_id": 4325, "tar_path": "STAT5_P42229.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT5_P42229_467_lig_smina_out.mol2", "protac_path": "4325_protac.mol2", "smiles": "CN(CCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C(=O)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(C)(C)C)C1=CC=C(Br)C=C1", "label": -1}, "7020": {"pro_comp_id": 4326, "tar_path": "STAT5_P42229.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT5_P42229_467_lig_smina_out.mol2", "protac_path": "4326_protac.mol2", "smiles": "CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)N1CCC(NC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)CC1)C1=CC=C(Br)C=C1", "label": -1}, "7021": {"pro_comp_id": 4327, "tar_path": "STAT5_P42229.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT5_P42229_467_lig_smina_out.mol2", "protac_path": "4327_protac.mol2", "smiles": "CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)N1CCC(C#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)CC1)C1=CC=C(Br)C=C1", "label": -1}, "7022": {"pro_comp_id": 4327, "tar_path": "STAT5_P42229.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT5_P42229_467_lig_smina_out.mol2", "protac_path": "4327_protac.mol2", "smiles": "CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)N1CCC(C#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)CC1)C1=CC=C(Br)C=C1", "label": -1}, "7023": {"pro_comp_id": 4328, "tar_path": "STAT5_P42229.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT5_P42229_467_lig_smina_out.mol2", "protac_path": "4328_protac.mol2", "smiles": "CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)N1CC(CCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C1)C1=CC=C(Br)C=C1", "label": -1}, "7024": {"pro_comp_id": 4328, "tar_path": "STAT5_P42229.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT5_P42229_467_lig_smina_out.mol2", "protac_path": "4328_protac.mol2", "smiles": "CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)N1CC(CCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C1)C1=CC=C(Br)C=C1", "label": -1}, "7025": {"pro_comp_id": 4329, "tar_path": "STAT5_P42229.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT5_P42229_467_lig_smina_out.mol2", "protac_path": "4329_protac.mol2", "smiles": "CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)N1CC(CC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C1)C1=CC=C(Br)C=C1", "label": -1}, "7026": {"pro_comp_id": 4329, "tar_path": "STAT5_P42229.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT5_P42229_467_lig_smina_out.mol2", "protac_path": "4329_protac.mol2", "smiles": "CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)N1CC(CC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C1)C1=CC=C(Br)C=C1", "label": -1}, "7027": {"pro_comp_id": 4330, "tar_path": "STAT5_P42229.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT5_P42229_467_lig_smina_out.mol2", "protac_path": "4330_protac.mol2", "smiles": "CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=CC=C1", "label": -1}, "7028": {"pro_comp_id": 4331, "tar_path": "STAT5_P42229.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT5_P42229_467_lig_smina_out.mol2", "protac_path": "4331_protac.mol2", "smiles": "CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C(F)C=C1", "label": -1}, "7029": {"pro_comp_id": 4332, "tar_path": "STAT5_P42229.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT5_P42229_467_lig_smina_out.mol2", "protac_path": "4332_protac.mol2", "smiles": "CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C(Cl)C=C1", "label": -1}, "7030": {"pro_comp_id": 4333, "tar_path": "STAT5_P42229.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT5_P42229_467_lig_smina_out.mol2", "protac_path": "4333_protac.mol2", "smiles": "CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C(Cl)C(F)=C1", "label": -1}, "7031": {"pro_comp_id": 4334, "tar_path": "STAT5_P42229.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT5_P42229_467_lig_smina_out.mol2", "protac_path": "4334_protac.mol2", "smiles": "CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C(I)C=C1", "label": -1}, "7032": {"pro_comp_id": 4335, "tar_path": "STAT5_P42229.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT5_P42229_467_lig_smina_out.mol2", "protac_path": "4335_protac.mol2", "smiles": "CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C(C#N)C=C1", "label": -1}, "7033": {"pro_comp_id": 4336, "tar_path": "STAT5_P42229.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT5_P42229_467_lig_smina_out.mol2", "protac_path": "4336_protac.mol2", "smiles": "CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=CC(C#N)=C1", "label": -1}, "7034": {"pro_comp_id": 4337, "tar_path": "STAT5_P42229.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT5_P42229_467_lig_smina_out.mol2", "protac_path": "4337_protac.mol2", "smiles": "CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C(C(F)(F)F)C=C1", "label": -1}, "7035": {"pro_comp_id": 4338, "tar_path": "STAT5_P42229.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT5_P42229_467_lig_smina_out.mol2", "protac_path": "4338_protac.mol2", "smiles": "CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=CC(C(F)(F)F)=C1", "label": -1}, "7036": {"pro_comp_id": 4339, "tar_path": "STAT5_P42229.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT5_P42229_467_lig_smina_out.mol2", "protac_path": "4339_protac.mol2", "smiles": "CC1=CC=C(N(CCC(=O)NCCCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)C2=CC3=CC(C(F)(F)P(=O)(O)O)=CC=C3S2)C(C)(C)C)C=C1", "label": -1}, "7037": {"pro_comp_id": 4340, "tar_path": "STAT5_P42229.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT5_P42229_467_lig_smina_out.mol2", "protac_path": "4340_protac.mol2", "smiles": "CC(C)(C)C1=CC=C(N(CCC(=O)NCCCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)C2=CC3=CC(C(F)(F)P(=O)(O)O)=CC=C3S2)C(C)(C)C)C=C1", "label": -1}, "7038": {"pro_comp_id": 4341, "tar_path": "STAT5_P42229.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT5_P42229_467_lig_smina_out.mol2", "protac_path": "4341_protac.mol2", "smiles": "CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C(S(C)(=O)=O)C=C1", "label": -1}, "7039": {"pro_comp_id": 4342, "tar_path": "STAT5_P42229.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT5_P42229_467_lig_smina_out.mol2", "protac_path": "4342_protac.mol2", "smiles": "CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C(C2=CC=CS2)C=C1", "label": -1}, "7040": {"pro_comp_id": 4343, "tar_path": "STAT5_P42229.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT5_P42229_467_lig_smina_out.mol2", "protac_path": "4343_protac.mol2", "smiles": "CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C(C2=NC=CS2)C=C1", "label": -1}, "7041": {"pro_comp_id": 4343, "tar_path": "STAT5_P42229.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT5_P42229_467_lig_smina_out.mol2", "protac_path": "4343_protac.mol2", "smiles": "CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C(C2=NC=CS2)C=C1", "label": -1}, "7042": {"pro_comp_id": 4344, "tar_path": "STAT5_P42229.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT5_P42229_467_lig_smina_out.mol2", "protac_path": "4344_protac.mol2", "smiles": "CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C2SC=CC2=C1", "label": -1}, "7043": {"pro_comp_id": 4345, "tar_path": "STAT5_P42229.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT5_P42229_467_lig_smina_out.mol2", "protac_path": "4345_protac.mol2", "smiles": "CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C2SC=NC2=C1", "label": -1}, "7044": {"pro_comp_id": 4345, "tar_path": "STAT5_P42229.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT5_P42229_467_lig_smina_out.mol2", "protac_path": "4345_protac.mol2", "smiles": "CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C2SC=NC2=C1", "label": -1}, "7045": {"pro_comp_id": 4346, "tar_path": "STAT5_P42229.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT5_P42229_467_lig_smina_out.mol2", "protac_path": "4346_protac.mol2", "smiles": "CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C2OC=CC2=C1", "label": -1}, "7046": {"pro_comp_id": 4347, "tar_path": "STAT5_P42229.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT5_P42229_467_lig_smina_out.mol2", "protac_path": "4347_protac.mol2", "smiles": "CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C2C=CC=CC2=C1", "label": -1}, "7047": {"pro_comp_id": 4347, "tar_path": "STAT5_P42229.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT5_P42229_467_lig_smina_out.mol2", "protac_path": "4347_protac.mol2", "smiles": "CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C2C=CC=CC2=C1", "label": -1}, "7048": {"pro_comp_id": 4348, "tar_path": "STAT5_P42229.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT5_P42229_467_lig_smina_out.mol2", "protac_path": "4348_protac.mol2", "smiles": "CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C2N=CSC2=C1", "label": -1}, "7049": {"pro_comp_id": 4349, "tar_path": "STAT5_P42229.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT5_P42229_467_lig_smina_out.mol2", "protac_path": "4349_protac.mol2", "smiles": "CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=CC2=C1C=CS2", "label": -1}, "7050": {"pro_comp_id": 4350, "tar_path": "STAT5_P42229.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT5_P42229_467_lig_smina_out.mol2", "protac_path": "4350_protac.mol2", "smiles": "CN(CCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C(=O)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(C)(C)C)C1=CC=C2SC=CC2=C1", "label": -1}, "7051": {"pro_comp_id": 4351, "tar_path": "STAT5_P42229.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT5_P42229_467_lig_smina_out.mol2", "protac_path": "4351_protac.mol2", "smiles": "CN(CCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C(=O)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(C)(C)C)C1=CC=C2SC=NC2=C1", "label": -1}, "7052": {"pro_comp_id": 4351, "tar_path": "STAT5_P42229.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT5_P42229_467_lig_smina_out.mol2", "protac_path": "4351_protac.mol2", "smiles": "CN(CCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C(=O)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(C)(C)C)C1=CC=C2SC=NC2=C1", "label": -1}, "7053": {"pro_comp_id": 4352, "tar_path": "STAT5_P42229.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT5_P42229_467_lig_smina_out.mol2", "protac_path": "4352_protac.mol2", "smiles": "CN(CCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C(=O)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(C)(C)C)C1=CC=C2OC=CC2=C1", "label": -1}, "7054": {"pro_comp_id": 4353, "tar_path": "STAT5_P42229.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT5_P42229_467_lig_smina_out.mol2", "protac_path": "4353_protac.mol2", "smiles": "CN(CCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C(=O)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(C)(C)C)C1=CC=C2C=CC=CC2=C1", "label": -1}, "7055": {"pro_comp_id": 4353, "tar_path": "STAT5_P42229.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT5_P42229_467_lig_smina_out.mol2", "protac_path": "4353_protac.mol2", "smiles": "CN(CCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C(=O)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(C)(C)C)C1=CC=C2C=CC=CC2=C1", "label": -1}, "7056": {"pro_comp_id": 4354, "tar_path": "STAT5_P42229.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT5_P42229_467_lig_smina_out.mol2", "protac_path": "4354_protac.mol2", "smiles": "CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCCCCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C(C2=NC=CS2)C=C1", "label": -1}, "7057": {"pro_comp_id": 4355, "tar_path": "STAT5_P42229.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT5_P42229_467_lig_smina_out.mol2", "protac_path": "4355_protac.mol2", "smiles": "CN(CCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C(=O)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(C)(C)C)C1=CC=C(C2=NC=CS2)C=C1", "label": -1}, "7058": {"pro_comp_id": 4355, "tar_path": "STAT6_P42226.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT6_P42226_467_lig_smina_out.mol2", "protac_path": "4355_protac.mol2", "smiles": "CN(CCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C(=O)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(C)(C)C)C1=CC=C(C2=NC=CS2)C=C1", "label": -1}, "7059": {"pro_comp_id": 4355, "tar_path": "STAT5_P42229.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT5_P42229_467_lig_smina_out.mol2", "protac_path": "4355_protac.mol2", "smiles": "CN(CCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C(=O)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(C)(C)C)C1=CC=C(C2=NC=CS2)C=C1", "label": -1}, "7061": {"pro_comp_id": 4356, "tar_path": "CA2_P00918.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CA2_P00918_468_lig_smina_out.mol2", "protac_path": "4356_protac.mol2", "smiles": "NS(=O)(=O)C1=CC=C(C(=O)NCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "7062": {"pro_comp_id": 4357, "tar_path": "CA2_P00918.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CA2_P00918_468_lig_smina_out.mol2", "protac_path": "4357_protac.mol2", "smiles": "NS(=O)(=O)C1=CC=C(C(=O)NCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "7063": {"pro_comp_id": 4358, "tar_path": "CA2_P00918.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CA2_P00918_468_lig_smina_out.mol2", "protac_path": "4358_protac.mol2", "smiles": "NS(=O)(=O)C1=CC=C(C(=O)NCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "7064": {"pro_comp_id": 4359, "tar_path": "CA2_P00918.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CA2_P00918_468_lig_smina_out.mol2", "protac_path": "4359_protac.mol2", "smiles": "NS(=O)(=O)C1=CC=C(C(=O)NCCCOCCCCOCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "7065": {"pro_comp_id": 4360, "tar_path": "CA2_P00918.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CA2_P00918_468_lig_smina_out.mol2", "protac_path": "4360_protac.mol2", "smiles": "NS(=O)(=O)C1=CC=C(C(=O)NCCCOCCOCCOCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "7066": {"pro_comp_id": 4361, "tar_path": "CA2_P00918.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CA2_P00918_468_lig_smina_out.mol2", "protac_path": "4361_protac.mol2", "smiles": "NS(=O)(=O)C1=CC=C(C(=O)NCCCCCCCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "7067": {"pro_comp_id": 4362, "tar_path": "CA2_P00918.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CA2_P00918_469_lig_smina_out.mol2", "protac_path": "4362_protac.mol2", "smiles": "CS(=O)(=O)C1=CC=C(C(=O)NCCCOCCCCOCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "7068": {"pro_comp_id": 4363, "tar_path": "CA2_P00918.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CA2_P00918_469_lig_smina_out.mol2", "protac_path": "4363_protac.mol2", "smiles": "CS(=O)(=O)C1=CC=C(C(=O)NCCCOCCOCCOCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "7069": {"pro_comp_id": 4364, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_471_lig_smina_out.mol2", "protac_path": "4364_protac.mol2", "smiles": "CC(C)(C)/C=C(\\C#N)C(=O)NC1=CC=CC(OC2=NC(NC3=CC=C(N4CCN(C(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)=NC3=C2OC=C3)=C1", "label": -1}, "7070": {"pro_comp_id": 4365, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_471_lig_smina_out.mol2", "protac_path": "4365_protac.mol2", "smiles": "CC(C)(C)/C=C(\\C#N)C(=O)NC1=CC=CC(OC2=NC(NC3=CC=C(N4CCN(C(=O)CCOCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)=NC3=C2OC=C3)=C1", "label": -1}, "7071": {"pro_comp_id": 4366, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_471_lig_smina_out.mol2", "protac_path": "4366_protac.mol2", "smiles": "CC(C)(C)/C=C(\\C#N)C(=O)NC1=CC=CC(OC2=NC(NC3=CC=C(N4CCN(C(=O)CCOCCOCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)=NC3=C2OC=C3)=C1", "label": -1}, "7072": {"pro_comp_id": 4367, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BTK_Q06187_471_lig_smina_out.mol2", "protac_path": "4367_protac.mol2", "smiles": "CC(C)(C)/C=C(\\C#N)C(=O)NC1=CC=CC(OC2=NC(NC3=CC=C(N4CCN(C(=O)CCOCCOCCOCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)=NC3=C2OC=C3)=C1", "label": -1}, "7073": {"pro_comp_id": 4368, "tar_path": "AXL_P30530.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AXL_P30530_472_lig_smina_out.mol2", "protac_path": "4368_protac.mol2", "smiles": "CCC1=CC=C2C(=C1)C(=O)C(C(=O)NC1=CC=C(OC3=NC=NC4=CC(OCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)=C(OC)C=C34)C(F)=C1)=C(C)N2C", "label": -1}, "7074": {"pro_comp_id": 4369, "tar_path": "AXL_P30530.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AXL_P30530_472_lig_smina_out.mol2", "protac_path": "4369_protac.mol2", "smiles": "CCC1=CC=C2C(=C1)C(=O)C(C(=O)NC1=CC=C(OC3=NC=NC4=CC(OCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)=C(OC)C=C34)C(F)=C1)=C(C)N2C", "label": -1}, "7075": {"pro_comp_id": 4370, "tar_path": "AXL_P30530.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AXL_P30530_472_lig_smina_out.mol2", "protac_path": "4370_protac.mol2", "smiles": "CCC1=CC=C2C(=C1)C(=O)C(C(=O)NC1=CC=C(OC3=NC=NC4=CC(OCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)=C(OC)C=C34)C(F)=C1)=C(C)N2C", "label": -1}, "7076": {"pro_comp_id": 4371, "tar_path": "AXL_P30530.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AXL_P30530_472_lig_smina_out.mol2", "protac_path": "4371_protac.mol2", "smiles": "CCC1=CC=C2C(=C1)C(=O)C(C(=O)NC1=CC=C(OC3=NC=NC4=CC(OCCCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)=C(OC)C=C34)C(F)=C1)=C(C)N2C", "label": -1}, "7077": {"pro_comp_id": 4372, "tar_path": "AXL_P30530.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AXL_P30530_472_lig_smina_out.mol2", "protac_path": "4372_protac.mol2", "smiles": "CCC1=CC=C2C(=C1)C(=O)C(C(=O)NC1=CC=C(OC3=NC=NC4=CC(OCCCCCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)=C(OC)C=C34)C(F)=C1)=C(C)N2C", "label": -1}, "7078": {"pro_comp_id": 4373, "tar_path": "AXL_P30530.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AXL_P30530_472_lig_smina_out.mol2", "protac_path": "4373_protac.mol2", "smiles": "CCC1=CC=C2C(=C1)C(=O)C(C(=O)NC1=CC=C(OC3=NC=NC4=CC(OCCCCCCCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)=C(OC)C=C34)C(F)=C1)=C(C)N2C", "label": -1}, "7079": {"pro_comp_id": 4374, "tar_path": "AXL_P30530.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AXL_P30530_472_lig_smina_out.mol2", "protac_path": "4374_protac.mol2", "smiles": "CCC1=CC=C2C(=C1)C(=O)C(C(=O)NC1=CC=C(OC3=NC=NC4=CC(OCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)=C(OC)C=C34)C(F)=C1)=C(C)N2C", "label": -1}, "7080": {"pro_comp_id": 4375, "tar_path": "AXL_P30530.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AXL_P30530_472_lig_smina_out.mol2", "protac_path": "4375_protac.mol2", "smiles": "CCC1=CC=C2C(=C1)C(=O)C(C(=O)NC1=CC=C(OC3=NC=NC4=CC(OCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)=C(OC)C=C34)C(F)=C1)=C(C)N2C", "label": -1}, "7081": {"pro_comp_id": 4376, "tar_path": "AXL_P30530.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AXL_P30530_472_lig_smina_out.mol2", "protac_path": "4376_protac.mol2", "smiles": "CCC1=CC=C2C(=C1)C(=O)C(C(=O)NC1=CC=C(OC3=NC=NC4=CC(OCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)=C(OC)C=C34)C(F)=C1)=C(C)N2C", "label": -1}, "7082": {"pro_comp_id": 4377, "tar_path": "AXL_P30530.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AXL_P30530_472_lig_smina_out.mol2", "protac_path": "4377_protac.mol2", "smiles": "CCC1=CC=C2C(=C1)C(=O)C(C(=O)NC1=CC=C(OC3=NC=NC4=CC(OCCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)=C(OC)C=C34)C(F)=C1)=C(C)N2C", "label": -1}, "7083": {"pro_comp_id": 4378, "tar_path": "AXL_P30530.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AXL_P30530_472_lig_smina_out.mol2", "protac_path": "4378_protac.mol2", "smiles": "CCC1=CC=C2C(=C1)C(=O)C(C(=O)NC1=CC=C(OC3=NC=NC4=CC(OCCCCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)=C(OC)C=C34)C(F)=C1)=C(C)N2C", "label": -1}, "7084": {"pro_comp_id": 4379, "tar_path": "AXL_P30530.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AXL_P30530_472_lig_smina_out.mol2", "protac_path": "4379_protac.mol2", "smiles": "CCC1=CC=C2C(=C1)C(=O)C(C(=O)NC1=CC=C(OC3=NC=NC4=CC(OCCCCCCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)=C(OC)C=C34)C(F)=C1)=C(C)N2C", "label": -1}, "7085": {"pro_comp_id": 4380, "tar_path": "AXL_P30530.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AXL_P30530_472_lig_smina_out.mol2", "protac_path": "4380_protac.mol2", "smiles": "CCC1=CC=C2C(=C1)C(=O)C(C(=O)NC1=CC=C(OC3=NC=NC4=CC(OCC(=O)NC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)=C(OC)C=C34)C(F)=C1)=C(C)N2C", "label": -1}, "7086": {"pro_comp_id": 4381, "tar_path": "AXL_P30530.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AXL_P30530_472_lig_smina_out.mol2", "protac_path": "4381_protac.mol2", "smiles": "CCC1=CC=C2C(=C1)C(=O)C(C(=O)NC1=CC=C(OC3=NC=NC4=CC(OCCCCC(=O)NC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)=C(OC)C=C34)C(F)=C1)=C(C)N2C", "label": -1}, "7087": {"pro_comp_id": 4382, "tar_path": "AXL_P30530.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AXL_P30530_472_lig_smina_out.mol2", "protac_path": "4382_protac.mol2", "smiles": "CCC1=CC=C2C(=C1)C(=O)C(C(=O)NC1=CC=C(OC3=NC=NC4=CC(OCCCCCC(=O)NC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)=C(OC)C=C34)C(F)=C1)=C(C)N2C", "label": -1}, "7088": {"pro_comp_id": 4383, "tar_path": "AXL_P30530.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AXL_P30530_472_lig_smina_out.mol2", "protac_path": "4383_protac.mol2", "smiles": "CCC1=CC=C2C(=C1)C(=O)C(C(=O)NC1=CC=C(OC3=NC=NC4=CC(OCCCCCCCC(=O)NC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)=C(OC)C=C34)C(F)=C1)=C(C)N2C", "label": -1}, "7089": {"pro_comp_id": 4384, "tar_path": "AXL_P30530.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AXL_P30530_472_lig_smina_out.mol2", "protac_path": "4384_protac.mol2", "smiles": "CCC1=CC=C2C(=C1)C(=O)C(C(=O)NC1=CC=C(OC3=NC=NC4=CC(OCCCCCCCCCC(=O)NC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)=C(OC)C=C34)C(F)=C1)=C(C)N2C", "label": -1}, "7090": {"pro_comp_id": 4385, "tar_path": "AXL_P30530.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AXL_P30530_472_lig_smina_out.mol2", "protac_path": "4385_protac.mol2", "smiles": "CCC1=CC=C2C(=C1)C(=O)C(C(=O)NC1=CC=C(OC3=NC=NC4=CC(OCCCCCCCCCCCC(=O)NC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)=C(OC)C=C34)C(F)=C1)=C(C)N2C", "label": -1}, "7091": {"pro_comp_id": 4386, "tar_path": "AXL_P30530.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "AXL_P30530_472_lig_smina_out.mol2", "protac_path": "4386_protac.mol2", "smiles": "CCC1=CC=C2C(=C1)C(=O)C(C(=O)NC1=CC=C(OC3=NC=NC4=CC(OCCCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)=C(OC)C=C34)C(F)=C1)=C(C)N2C", "label": -1}, "7092": {"pro_comp_id": 4387, "tar_path": "AXL_P30530.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "AXL_P30530_472_lig_smina_out.mol2", "protac_path": "4387_protac.mol2", "smiles": "CCC1=CC=C2C(=C1)C(=O)C(C(=O)NC1=CC=C(OC3=NC=NC4=CC(OCCCCCC(=O)NC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)CC6=C5)=C(OC)C=C34)C(F)=C1)=C(C)N2C", "label": -1}, "7093": {"pro_comp_id": 4388, "tar_path": "AXL_P30530.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "AXL_P30530_472_lig_smina_out.mol2", "protac_path": "4388_protac.mol2", "smiles": "CCC1=CC=C2C(=C1)C(=O)C(C(=O)NC1=CC=C(OC3=NC=NC4=CC(OCCCCCC(=O)NC5=CC=C6CN(C7CCC(=O)NC7=O)C(=O)C6=C5)=C(OC)C=C34)C(F)=C1)=C(C)N2C", "label": -1}, "7094": {"pro_comp_id": 4389, "tar_path": "AXL_P30530.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "AXL_P30530_472_lig_smina_out.mol2", "protac_path": "4389_protac.mol2", "smiles": "CCC1=CC=C2C(=C1)C(=O)C(C(=O)NC1=CC=C(OC3=NC=NC4=CC(OCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6)=C(OC)C=C34)C(F)=C1)=C(C)N2C", "label": -1}, "7095": {"pro_comp_id": 4390, "tar_path": "c-Met_P08581.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "c-Met_P08581_446_lig_smina_out.mol2", "protac_path": "4390_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCN3CCC(N4C=C(C5=CN=C(N)C(O[C@H](C)C6=C(Cl)C=CC(F)=C6Cl)=C5)C=N4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7096": {"pro_comp_id": 4391, "tar_path": "c-Met_P08581.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "c-Met_P08581_446_lig_smina_out.mol2", "protac_path": "4391_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCN3CCC(N4C=C(C5=CN=C(N)C(O[C@H](C)C6=C(Cl)C=CC(F)=C6Cl)=C5)C=N4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7098": {"pro_comp_id": 4393, "tar_path": "c-Met_P08581.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "c-Met_P08581_446_lig_smina_out.mol2", "protac_path": "4393_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3CN(C(=O)CCCCCN4CCC(N5C=C(C6=CN=C(N)C(O[C@H](C)C7=C(Cl)C=CC(F)=C7Cl)=C6)C=N5)CC4)C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7099": {"pro_comp_id": 4394, "tar_path": "c-Met_P08581.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "c-Met_P08581_446_lig_smina_out.mol2", "protac_path": "4394_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3CN(C(=O)CCCCCCCN4CCC(N5C=C(C6=CN=C(N)C(O[C@H](C)C7=C(Cl)C=CC(F)=C7Cl)=C6)C=N5)CC4)C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7100": {"pro_comp_id": 4395, "tar_path": "c-Met_P08581.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "c-Met_P08581_446_lig_smina_out.mol2", "protac_path": "4395_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3CN(CCCCCCCCN4CCC(N5C=C(C6=CN=C(N)C(O[C@H](C)C7=C(Cl)C=CC(F)=C7Cl)=C6)C=N5)CC4)C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7101": {"pro_comp_id": 4396, "tar_path": "c-Met_P08581.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "c-Met_P08581_446_lig_smina_out.mol2", "protac_path": "4396_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3CN(CCOCCOCCN4CCC(N5C=C(C6=CN=C(N)C(O[C@H](C)C7=C(Cl)C=CC(F)=C7Cl)=C6)C=N5)CC4)C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7102": {"pro_comp_id": 4397, "tar_path": "c-Met_P08581.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "c-Met_P08581_446_lig_smina_out.mol2", "protac_path": "4397_protac.mol2", "smiles": "C[C@H](OC1=CC(C2=CN(C3CCN(C(=O)CCCCN4CC(CNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C4)CC3)N=C2)=CN=C1N)C1=C(Cl)C=CC(F)=C1Cl", "label": -1}, "7103": {"pro_comp_id": 4398, "tar_path": "c-Met_P08581.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "c-Met_P08581_446_lig_smina_out.mol2", "protac_path": "4398_protac.mol2", "smiles": "C[C@H](OC1=CC(C2=CN(C3CCN(C(=O)CCCCCN4CC(CNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C4)CC3)N=C2)=CN=C1N)C1=C(Cl)C=CC(F)=C1Cl", "label": -1}, "7104": {"pro_comp_id": 4399, "tar_path": "c-Met_P08581.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "c-Met_P08581_446_lig_smina_out.mol2", "protac_path": "4399_protac.mol2", "smiles": "C[C@H](OC1=CC(C2=CN(C3CCN(C(=O)CCCCCCCN4CC(CNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C4)CC3)N=C2)=CN=C1N)C1=C(Cl)C=CC(F)=C1Cl", "label": -1}, "7105": {"pro_comp_id": 4400, "tar_path": "c-Met_P08581.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "c-Met_P08581_446_lig_smina_out.mol2", "protac_path": "4400_protac.mol2", "smiles": "C[C@H](OC1=CC(C2=CN(C3CCN(C(=O)CCCCCCN4CC(CNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C4)CC3)N=C2)=CN=C1N)C1=C(Cl)C=CC(F)=C1Cl", "label": -1}, "7106": {"pro_comp_id": 4401, "tar_path": "c-Met_P08581.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "c-Met_P08581_446_lig_smina_out.mol2", "protac_path": "4401_protac.mol2", "smiles": "C[C@@H](OC1=CC(C2=CN(C3CCN(C(=O)CCCCCCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)N=C2)=CN=C1N)C1=C(Cl)C=CC(F)=C1Cl", "label": -1}, "7107": {"pro_comp_id": 4402, "tar_path": "c-Met_P08581.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "c-Met_P08581_446_lig_smina_out.mol2", "protac_path": "4402_protac.mol2", "smiles": "C[C@@H](OC1=CC(C2=CN(C3CCN(C(=O)COCCOCCOCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)N=C2)=CN=C1N)C1=C(Cl)C=CC(F)=C1Cl", "label": -1}, "7108": {"pro_comp_id": 4403, "tar_path": "c-Met_P08581.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "c-Met_P08581_446_lig_smina_out.mol2", "protac_path": "4403_protac.mol2", "smiles": "C[C@@H](OC1=CC(C2=CN(C3CCN(CCOCCOCCN4CC(CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)CC3)N=C2)=CN=C1N)C1=C(Cl)C=CC(F)=C1Cl", "label": -1}, "7109": {"pro_comp_id": 4404, "tar_path": "c-Met_P08581.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "c-Met_P08581_446_lig_smina_out.mol2", "protac_path": "4404_protac.mol2", "smiles": "C[C@@H](OC1=CC(C2=CN(C3CCN(CCCCC(=O)N4CC(CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)CC3)N=C2)=CN=C1N)C1=C(Cl)C=CC(F)=C1Cl", "label": -1}, "7110": {"pro_comp_id": 4405, "tar_path": "c-Met_P08581.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "c-Met_P08581_446_lig_smina_out.mol2", "protac_path": "4405_protac.mol2", "smiles": "C[C@@H](OC1=CC(C2=CN(C3CCN(CCCCCC(=O)N4CC(CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)CC3)N=C2)=CN=C1N)C1=C(Cl)C=CC(F)=C1Cl", "label": -1}, "7111": {"pro_comp_id": 4406, "tar_path": "c-Met_P08581.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "c-Met_P08581_446_lig_smina_out.mol2", "protac_path": "4406_protac.mol2", "smiles": "C[C@@H](OC1=CC(C2=CN(C3CCN(CCCCCCC(=O)N4CC(CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)CC3)N=C2)=CN=C1N)C1=C(Cl)C=CC(F)=C1Cl", "label": -1}, "7112": {"pro_comp_id": 4407, "tar_path": "c-Met_P08581.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "c-Met_P08581_446_lig_smina_out.mol2", "protac_path": "4407_protac.mol2", "smiles": "C[C@@H](OC1=CC(C2=CN(C3CCN(CCCCCCCC(=O)N4CC(CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)CC3)N=C2)=CN=C1N)C1=C(Cl)C=CC(F)=C1Cl", "label": -1}, "7113": {"pro_comp_id": 4408, "tar_path": "c-Met_P08581.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "c-Met_P08581_446_lig_smina_out.mol2", "protac_path": "4408_protac.mol2", "smiles": "C[C@@H](OC1=CC(C2=CN(C3CCN(CCCCCCN4CC(CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)CC3)N=C2)=CN=C1N)C1=C(Cl)C=CC(F)=C1Cl", "label": -1}, "7114": {"pro_comp_id": 4409, "tar_path": "c-Met_P08581.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "c-Met_P08581_446_lig_smina_out.mol2", "protac_path": "4409_protac.mol2", "smiles": "C[C@@H](OC1=CC(C2=CN(C3CCN(CCCCCCCN4CC(CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)CC3)N=C2)=CN=C1N)C1=C(Cl)C=CC(F)=C1Cl", "label": -1}, "7115": {"pro_comp_id": 4410, "tar_path": "c-Met_P08581.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "c-Met_P08581_446_lig_smina_out.mol2", "protac_path": "4410_protac.mol2", "smiles": "C[C@@H](OC1=CC(C2=CN(C3CCN(CCCCCCCCN4CC(CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)CC3)N=C2)=CN=C1N)C1=C(Cl)C=CC(F)=C1Cl", "label": -1}, "7116": {"pro_comp_id": 4411, "tar_path": "NQO1_P15559.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "NQO1_P15559_473_lig_smina_out.mol2", "protac_path": "4411_protac.mol2", "smiles": "O=C(CCCCCOC1=CC=C(/C=C/C(=O)C2=C(O)C3=CC=CC=C3C(=O)O2)C=C1)NCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "7117": {"pro_comp_id": 4412, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MEK1_Q02750_474_lig_smina_out.mol2", "protac_path": "4412_protac.mol2", "smiles": "CC1=C(CC2=CC=CC(NCC3=CN(CCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2F)C(=O)OC2=CC(OC3=NC=CC=N3)=CC=C12", "label": -1}, "7118": {"pro_comp_id": 4412, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MEK2_P36507_474_lig_smina_out.mol2", "protac_path": "4412_protac.mol2", "smiles": "CC1=C(CC2=CC=CC(NCC3=CN(CCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2F)C(=O)OC2=CC(OC3=NC=CC=N3)=CC=C12", "label": -1}, "7119": {"pro_comp_id": 4413, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MEK1_Q02750_474_lig_smina_out.mol2", "protac_path": "4413_protac.mol2", "smiles": "CC1=C(CC2=CC=CC(NCC3=CN(CCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2F)C(=O)OC2=CC(OC3=NC=CC=N3)=CC=C12", "label": -1}, "7120": {"pro_comp_id": 4413, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MEK2_P36507_474_lig_smina_out.mol2", "protac_path": "4413_protac.mol2", "smiles": "CC1=C(CC2=CC=CC(NCC3=CN(CCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2F)C(=O)OC2=CC(OC3=NC=CC=N3)=CC=C12", "label": -1}, "7121": {"pro_comp_id": 4414, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MEK1_Q02750_474_lig_smina_out.mol2", "protac_path": "4414_protac.mol2", "smiles": "CC1=C(CC2=CC=CC(NCC3=CN(CCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2F)C(=O)OC2=CC(OC3=NC=CC=N3)=CC=C12", "label": -1}, "7122": {"pro_comp_id": 4414, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MEK2_P36507_474_lig_smina_out.mol2", "protac_path": "4414_protac.mol2", "smiles": "CC1=C(CC2=CC=CC(NCC3=CN(CCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2F)C(=O)OC2=CC(OC3=NC=CC=N3)=CC=C12", "label": -1}, "7123": {"pro_comp_id": 4415, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MEK1_Q02750_474_lig_smina_out.mol2", "protac_path": "4415_protac.mol2", "smiles": "CC1=C(CC2=CC=CC(NCC3=CN(CCOCCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2F)C(=O)OC2=CC(OC3=NC=CC=N3)=CC=C12", "label": -1}, "7124": {"pro_comp_id": 4415, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MEK2_P36507_474_lig_smina_out.mol2", "protac_path": "4415_protac.mol2", "smiles": "CC1=C(CC2=CC=CC(NCC3=CN(CCOCCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2F)C(=O)OC2=CC(OC3=NC=CC=N3)=CC=C12", "label": -1}, "7125": {"pro_comp_id": 4416, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MEK1_Q02750_474_lig_smina_out.mol2", "protac_path": "4416_protac.mol2", "smiles": "CC1=C(CC2=CC=CC(NCC3=CN(CCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)C(=O)OC2=CC(OC3=NC=CC=N3)=CC=C12", "label": -1}, "7126": {"pro_comp_id": 4416, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MEK2_P36507_474_lig_smina_out.mol2", "protac_path": "4416_protac.mol2", "smiles": "CC1=C(CC2=CC=CC(NCC3=CN(CCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)C(=O)OC2=CC(OC3=NC=CC=N3)=CC=C12", "label": -1}, "7127": {"pro_comp_id": 4417, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MEK1_Q02750_474_lig_smina_out.mol2", "protac_path": "4417_protac.mol2", "smiles": "CC1=C(CC2=CC=CC(NCC3=CN(CCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)C(=O)OC2=CC(OC3=NC=CC=N3)=CC=C12", "label": -1}, "7128": {"pro_comp_id": 4417, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MEK2_P36507_474_lig_smina_out.mol2", "protac_path": "4417_protac.mol2", "smiles": "CC1=C(CC2=CC=CC(NCC3=CN(CCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)C(=O)OC2=CC(OC3=NC=CC=N3)=CC=C12", "label": -1}, "7129": {"pro_comp_id": 4418, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MEK1_Q02750_474_lig_smina_out.mol2", "protac_path": "4418_protac.mol2", "smiles": "CC1=C(CC2=CC=CC(NCC3=CN(CCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)C(=O)OC2=CC(OC3=NC=CC=N3)=CC=C12", "label": -1}, "7130": {"pro_comp_id": 4418, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MEK2_P36507_474_lig_smina_out.mol2", "protac_path": "4418_protac.mol2", "smiles": "CC1=C(CC2=CC=CC(NCC3=CN(CCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)C(=O)OC2=CC(OC3=NC=CC=N3)=CC=C12", "label": -1}, "7131": {"pro_comp_id": 4419, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MEK1_Q02750_474_lig_smina_out.mol2", "protac_path": "4419_protac.mol2", "smiles": "CC1=C(CC2=CC=CC(NCC3=CN(CCOCCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)C(=O)OC2=CC(OC3=NC=CC=N3)=CC=C12", "label": -1}, "7132": {"pro_comp_id": 4419, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MEK2_P36507_474_lig_smina_out.mol2", "protac_path": "4419_protac.mol2", "smiles": "CC1=C(CC2=CC=CC(NCC3=CN(CCOCCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)C(=O)OC2=CC(OC3=NC=CC=N3)=CC=C12", "label": -1}, "7133": {"pro_comp_id": 4420, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK1_Q02750_474_lig_smina_out.mol2", "protac_path": "4420_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCN3C=C(CNC4=CC=CC(CC5=C(C)C6=CC=C(OC7=NC=CC=N7)C=C6OC5=O)=C4F)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7134": {"pro_comp_id": 4420, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK2_P36507_474_lig_smina_out.mol2", "protac_path": "4420_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCN3C=C(CNC4=CC=CC(CC5=C(C)C6=CC=C(OC7=NC=CC=N7)C=C6OC5=O)=C4F)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7135": {"pro_comp_id": 4421, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK1_Q02750_474_lig_smina_out.mol2", "protac_path": "4421_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCOCCN3C=C(CNC4=CC=CC(CC5=C(C)C6=CC=C(OC7=NC=CC=N7)C=C6OC5=O)=C4F)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7136": {"pro_comp_id": 4421, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK2_P36507_474_lig_smina_out.mol2", "protac_path": "4421_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCOCCN3C=C(CNC4=CC=CC(CC5=C(C)C6=CC=C(OC7=NC=CC=N7)C=C6OC5=O)=C4F)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7137": {"pro_comp_id": 4422, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK1_Q02750_474_lig_smina_out.mol2", "protac_path": "4422_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCOCCOCCN3C=C(CNC4=CC=CC(CC5=C(C)C6=CC=C(OC7=NC=CC=N7)C=C6OC5=O)=C4F)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7138": {"pro_comp_id": 4422, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK2_P36507_474_lig_smina_out.mol2", "protac_path": "4422_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCOCCOCCN3C=C(CNC4=CC=CC(CC5=C(C)C6=CC=C(OC7=NC=CC=N7)C=C6OC5=O)=C4F)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7139": {"pro_comp_id": 4423, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK1_Q02750_474_lig_smina_out.mol2", "protac_path": "4423_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCOCCOCCOCCN3C=C(CNC4=CC=CC(CC5=C(C)C6=CC=C(OC7=NC=CC=N7)C=C6OC5=O)=C4F)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7140": {"pro_comp_id": 4423, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK2_P36507_474_lig_smina_out.mol2", "protac_path": "4423_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCOCCOCCOCCN3C=C(CNC4=CC=CC(CC5=C(C)C6=CC=C(OC7=NC=CC=N7)C=C6OC5=O)=C4F)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7141": {"pro_comp_id": 4424, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK1_Q02750_474_lig_smina_out.mol2", "protac_path": "4424_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCN3C=C(CNC4=CC=CC(CC5=C(C)C6=CC=C(OC7=NC=CC=N7)C=C6OC5=O)=C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7142": {"pro_comp_id": 4424, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK2_P36507_474_lig_smina_out.mol2", "protac_path": "4424_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCN3C=C(CNC4=CC=CC(CC5=C(C)C6=CC=C(OC7=NC=CC=N7)C=C6OC5=O)=C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7143": {"pro_comp_id": 4425, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK1_Q02750_474_lig_smina_out.mol2", "protac_path": "4425_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCOCCN3C=C(CNC4=CC=CC(CC5=C(C)C6=CC=C(OC7=NC=CC=N7)C=C6OC5=O)=C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7144": {"pro_comp_id": 4425, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK2_P36507_474_lig_smina_out.mol2", "protac_path": "4425_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCOCCN3C=C(CNC4=CC=CC(CC5=C(C)C6=CC=C(OC7=NC=CC=N7)C=C6OC5=O)=C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7145": {"pro_comp_id": 4426, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK1_Q02750_474_lig_smina_out.mol2", "protac_path": "4426_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCOCCOCCN3C=C(CNC4=CC=CC(CC5=C(C)C6=CC=C(OC7=NC=CC=N7)C=C6OC5=O)=C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7146": {"pro_comp_id": 4426, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK2_P36507_474_lig_smina_out.mol2", "protac_path": "4426_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCOCCOCCN3C=C(CNC4=CC=CC(CC5=C(C)C6=CC=C(OC7=NC=CC=N7)C=C6OC5=O)=C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7147": {"pro_comp_id": 4427, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK1_Q02750_474_lig_smina_out.mol2", "protac_path": "4427_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCOCCOCCOCCN3C=C(CNC4=CC=CC(CC5=C(C)C6=CC=C(OC7=NC=CC=N7)C=C6OC5=O)=C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7148": {"pro_comp_id": 4427, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK2_P36507_474_lig_smina_out.mol2", "protac_path": "4427_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCOCCOCCOCCN3C=C(CNC4=CC=CC(CC5=C(C)C6=CC=C(OC7=NC=CC=N7)C=C6OC5=O)=C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7149": {"pro_comp_id": 4428, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MEK1_Q02750_474_lig_smina_out.mol2", "protac_path": "4428_protac.mol2", "smiles": "CC1=C(CC2=CC=CC(NC(=O)CCCNC(=O)CCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2F)C(=O)OC2=CC(OC3=NC=CC=N3)=CC=C12", "label": -1}, "7150": {"pro_comp_id": 4428, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MEK2_P36507_474_lig_smina_out.mol2", "protac_path": "4428_protac.mol2", "smiles": "CC1=C(CC2=CC=CC(NC(=O)CCCNC(=O)CCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2F)C(=O)OC2=CC(OC3=NC=CC=N3)=CC=C12", "label": -1}, "7151": {"pro_comp_id": 4429, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MEK1_Q02750_474_lig_smina_out.mol2", "protac_path": "4429_protac.mol2", "smiles": "CC1=C(CC2=CC=CC(NC(=O)CCCCNC(=O)CCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2F)C(=O)OC2=CC(OC3=NC=CC=N3)=CC=C12", "label": -1}, "7152": {"pro_comp_id": 4429, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MEK2_P36507_474_lig_smina_out.mol2", "protac_path": "4429_protac.mol2", "smiles": "CC1=C(CC2=CC=CC(NC(=O)CCCCNC(=O)CCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2F)C(=O)OC2=CC(OC3=NC=CC=N3)=CC=C12", "label": -1}, "7153": {"pro_comp_id": 4430, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MEK1_Q02750_474_lig_smina_out.mol2", "protac_path": "4430_protac.mol2", "smiles": "CC1=C(CC2=CC=CC(NC(=O)CCCCCNC(=O)CCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2F)C(=O)OC2=CC(OC3=NC=CC=N3)=CC=C12", "label": -1}, "7154": {"pro_comp_id": 4430, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MEK2_P36507_474_lig_smina_out.mol2", "protac_path": "4430_protac.mol2", "smiles": "CC1=C(CC2=CC=CC(NC(=O)CCCCCNC(=O)CCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2F)C(=O)OC2=CC(OC3=NC=CC=N3)=CC=C12", "label": -1}, "7155": {"pro_comp_id": 4431, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MEK1_Q02750_474_lig_smina_out.mol2", "protac_path": "4431_protac.mol2", "smiles": "CC1=C(CC2=CC=CC(NC(=O)CCCCCCNC(=O)CCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2F)C(=O)OC2=CC(OC3=NC=CC=N3)=CC=C12", "label": -1}, "7156": {"pro_comp_id": 4431, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MEK2_P36507_474_lig_smina_out.mol2", "protac_path": "4431_protac.mol2", "smiles": "CC1=C(CC2=CC=CC(NC(=O)CCCCCCNC(=O)CCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2F)C(=O)OC2=CC(OC3=NC=CC=N3)=CC=C12", "label": -1}, "7157": {"pro_comp_id": 4432, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MEK1_Q02750_474_lig_smina_out.mol2", "protac_path": "4432_protac.mol2", "smiles": "CC1=C(CC2=CC=CC(NC(=O)CCCCCCCNC(=O)CCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2F)C(=O)OC2=CC(OC3=NC=CC=N3)=CC=C12", "label": -1}, "7158": {"pro_comp_id": 4432, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MEK2_P36507_474_lig_smina_out.mol2", "protac_path": "4432_protac.mol2", "smiles": "CC1=C(CC2=CC=CC(NC(=O)CCCCCCCNC(=O)CCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2F)C(=O)OC2=CC(OC3=NC=CC=N3)=CC=C12", "label": -1}, "7159": {"pro_comp_id": 4433, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK1_Q02750_474_lig_smina_out.mol2", "protac_path": "4433_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCC(=O)NCCCC(=O)NC3=CC=CC(CC4=C(C)C5=CC=C(OC6=NC=CC=N6)C=C5OC4=O)=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7160": {"pro_comp_id": 4433, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK2_P36507_474_lig_smina_out.mol2", "protac_path": "4433_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCC(=O)NCCCC(=O)NC3=CC=CC(CC4=C(C)C5=CC=C(OC6=NC=CC=N6)C=C5OC4=O)=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7161": {"pro_comp_id": 4434, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK1_Q02750_474_lig_smina_out.mol2", "protac_path": "4434_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCC(=O)NCCCCC(=O)NC3=CC=CC(CC4=C(C)C5=CC=C(OC6=NC=CC=N6)C=C5OC4=O)=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7162": {"pro_comp_id": 4434, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK2_P36507_474_lig_smina_out.mol2", "protac_path": "4434_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCC(=O)NCCCCC(=O)NC3=CC=CC(CC4=C(C)C5=CC=C(OC6=NC=CC=N6)C=C5OC4=O)=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7163": {"pro_comp_id": 4435, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK1_Q02750_474_lig_smina_out.mol2", "protac_path": "4435_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCC(=O)NCCCCCC(=O)NC3=CC=CC(CC4=C(C)C5=CC=C(OC6=NC=CC=N6)C=C5OC4=O)=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7164": {"pro_comp_id": 4435, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK2_P36507_474_lig_smina_out.mol2", "protac_path": "4435_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCC(=O)NCCCCCC(=O)NC3=CC=CC(CC4=C(C)C5=CC=C(OC6=NC=CC=N6)C=C5OC4=O)=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7165": {"pro_comp_id": 4436, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK1_Q02750_474_lig_smina_out.mol2", "protac_path": "4436_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCC(=O)NCCCCCCC(=O)NC3=CC=CC(CC4=C(C)C5=CC=C(OC6=NC=CC=N6)C=C5OC4=O)=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7166": {"pro_comp_id": 4436, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK2_P36507_474_lig_smina_out.mol2", "protac_path": "4436_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCC(=O)NCCCCCCC(=O)NC3=CC=CC(CC4=C(C)C5=CC=C(OC6=NC=CC=N6)C=C5OC4=O)=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7167": {"pro_comp_id": 4437, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK1_Q02750_474_lig_smina_out.mol2", "protac_path": "4437_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCC(=O)NCCCCCCCC(=O)NC3=CC=CC(CC4=C(C)C5=CC=C(OC6=NC=CC=N6)C=C5OC4=O)=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7168": {"pro_comp_id": 4437, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK2_P36507_474_lig_smina_out.mol2", "protac_path": "4437_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCC(=O)NCCCCCCCC(=O)NC3=CC=CC(CC4=C(C)C5=CC=C(OC6=NC=CC=N6)C=C5OC4=O)=C3F)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7169": {"pro_comp_id": 4438, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK1_Q02750_474_lig_smina_out.mol2", "protac_path": "4438_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCC(=O)NCCCC(=O)NC3=CC=CC(CC4=C(C)C5=CC=C(OC6=NC=CC=N6)C=C5OC4=O)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7170": {"pro_comp_id": 4438, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK2_P36507_474_lig_smina_out.mol2", "protac_path": "4438_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCC(=O)NCCCC(=O)NC3=CC=CC(CC4=C(C)C5=CC=C(OC6=NC=CC=N6)C=C5OC4=O)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7171": {"pro_comp_id": 4439, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK1_Q02750_474_lig_smina_out.mol2", "protac_path": "4439_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCC(=O)NCCCCCCC(=O)NC3=CC=CC(CC4=C(C)C5=CC=C(OC6=NC=CC=N6)C=C5OC4=O)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7172": {"pro_comp_id": 4439, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK2_P36507_474_lig_smina_out.mol2", "protac_path": "4439_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCC(=O)NCCCCCCC(=O)NC3=CC=CC(CC4=C(C)C5=CC=C(OC6=NC=CC=N6)C=C5OC4=O)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7173": {"pro_comp_id": 4440, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK1_Q02750_474_lig_smina_out.mol2", "protac_path": "4440_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCC(=O)NCCCCCCCCCCC(=O)NC3=CC=CC(CC4=C(C)C5=CC=C(OC6=NC=CC=N6)C=C5OC4=O)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7174": {"pro_comp_id": 4440, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK2_P36507_474_lig_smina_out.mol2", "protac_path": "4440_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCC(=O)NCCCCCCCCCCC(=O)NC3=CC=CC(CC4=C(C)C5=CC=C(OC6=NC=CC=N6)C=C5OC4=O)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7175": {"pro_comp_id": 4441, "tar_path": "MEK1_Q02750.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK1_Q02750_474_lig_smina_out.mol2", "protac_path": "4441_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCC(=O)NCCCCCCCCCCCC(=O)NC3=CC=CC(CC4=C(C)C5=CC=C(OC6=NC=CC=N6)C=C5OC4=O)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7176": {"pro_comp_id": 4441, "tar_path": "MEK2_P36507.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MEK2_P36507_474_lig_smina_out.mol2", "protac_path": "4441_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCC(=O)NCCCCCCCCCCCC(=O)NC3=CC=CC(CC4=C(C)C5=CC=C(OC6=NC=CC=N6)C=C5OC4=O)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7177": {"pro_comp_id": 4442, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "4442_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(C(=O)CCCCC(=O)N(CCS)CC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "7178": {"pro_comp_id": 4443, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "4443_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(C(=O)CCCCCCC(=O)N(CCS)CC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "7179": {"pro_comp_id": 4444, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "4444_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(C(=O)CCCCCCCCC(=O)N(CCS)CC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "7180": {"pro_comp_id": 4445, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "4445_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(C(=O)CCCCCCCCCCC(=O)N(CCS)CC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "7181": {"pro_comp_id": 4446, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "4446_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(C(=O)CCC(=O)N(CCS)CC(=O)NCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "7182": {"pro_comp_id": 4447, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "4447_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(C(=O)CCCCC(=O)N(CCS)CC(=O)NCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "7183": {"pro_comp_id": 4448, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "4448_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(C(=O)CCCCCCC(=O)N(CCS)CC(=O)NCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "7184": {"pro_comp_id": 4449, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "4449_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(C(=O)CCCCCCCCC(=O)N(CCS)CC(=O)NCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "7185": {"pro_comp_id": 4450, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "4450_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(C(=O)CCCCCCCCCCC(=O)N(CCS)CC(=O)NCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "7186": {"pro_comp_id": 4451, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_475_lig_smina_out.mol2", "protac_path": "4451_protac.mol2", "smiles": "C=CC(=O)N1CCN(C2=NC(=O)N(C3=CC=C(C(=O)NCCCC(=O)NC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)C=C3C(C)C)C3=CC(C4=CC=CC=C4Cl)=C(Cl)C=C23)[C@@H](C)C1", "label": -1}, "7187": {"pro_comp_id": 4452, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_475_lig_smina_out.mol2", "protac_path": "4452_protac.mol2", "smiles": "C=CC(=O)N1CCN(C2=NC(=O)N(C3=CC=C(C(=O)NCCCCC(=O)NC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)C=C3C(C)C)C3=CC(C4=CC=CC=C4Cl)=C(Cl)C=C23)[C@@H](C)C1", "label": -1}, "7188": {"pro_comp_id": 4453, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_475_lig_smina_out.mol2", "protac_path": "4453_protac.mol2", "smiles": "C=CC(=O)N1CCN(C2=NC(=O)N(C3=CC=C(C(=O)NCCCCCC(=O)NC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)C=C3C(C)C)C3=CC(C4=CC=CC=C4Cl)=C(Cl)C=C23)[C@@H](C)C1", "label": -1}, "7189": {"pro_comp_id": 4454, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_475_lig_smina_out.mol2", "protac_path": "4454_protac.mol2", "smiles": "C=CC(=O)N1CCN(C2=NC(=O)N(C3=CC=C(C(=O)NCCCCCCC(=O)NC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)C=C3C(C)C)C3=CC(C4=CC=CC=C4Cl)=C(Cl)C=C23)[C@@H](C)C1", "label": -1}, "7190": {"pro_comp_id": 4455, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_475_lig_smina_out.mol2", "protac_path": "4455_protac.mol2", "smiles": "C=CC(=O)N1CCN(C2=NC(=O)N(C3=CC=C(C(=O)NCCCCCCCC(=O)NC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)C=C3C(C)C)C3=CC(C4=CC=CC=C4Cl)=C(Cl)C=C23)[C@@H](C)C1", "label": -1}, "7191": {"pro_comp_id": 4456, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_475_lig_smina_out.mol2", "protac_path": "4456_protac.mol2", "smiles": "C=CC(=O)N1CCN(C2=NC(=O)N(C3=CC=C(C(=O)NCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3C(C)C)C3=CC(C4=CC=CC=C4Cl)=C(Cl)C=C23)[C@@H](C)C1", "label": -1}, "7192": {"pro_comp_id": 4457, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_475_lig_smina_out.mol2", "protac_path": "4457_protac.mol2", "smiles": "C=CC(=O)N1CCN(C2=NC(=O)N(C3=CC=C(C(=O)NCCCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3C(C)C)C3=CC(C4=CC=CC=C4Cl)=C(Cl)C=C23)[C@@H](C)C1", "label": -1}, "7193": {"pro_comp_id": 4458, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_475_lig_smina_out.mol2", "protac_path": "4458_protac.mol2", "smiles": "C=CC(=O)N1CCN(C2=NC(=O)N(C3=CC=C(C(=O)NCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3C(C)C)C3=CC(C4=CC=CC=C4Cl)=C(Cl)C=C23)[C@@H](C)C1", "label": -1}, "7194": {"pro_comp_id": 4459, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_475_lig_smina_out.mol2", "protac_path": "4459_protac.mol2", "smiles": "C=CC(=O)N1CCN(C2=NC(=O)N(C3=CC=C(C(=O)NCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3C(C)C)C3=CC(C4=CC=CC=C4Cl)=C(Cl)C=C23)[C@@H](C)C1", "label": -1}, "7195": {"pro_comp_id": 4460, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_475_lig_smina_out.mol2", "protac_path": "4460_protac.mol2", "smiles": "C=CC(=O)N1CCN(C2=NC(=O)N(C3=CC=C(C(=O)NCC4=CN(CCOCCOCCOCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)N=N4)C=C3C(C)C)C3=CC(C4=CC=CC=C4Cl)=C(Cl)C=C23)[C@@H](C)C1", "label": -1}, "7196": {"pro_comp_id": 4461, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "KRAS_G12C_P01116_475_lig_smina_out.mol2", "protac_path": "4461_protac.mol2", "smiles": "C=CC(=O)N1CCN(C2=NC(=O)N(C3=CC=C(C(=O)NCCCN4CCN(CCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3C(C)C)C3=CC(C4=CC=CC=C4Cl)=C(Cl)C=C23)[C@@H](C)C1", "label": -1}, "7197": {"pro_comp_id": 4462, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_476_lig_smina_out.mol2", "protac_path": "4462_protac.mol2", "smiles": "CNC(=O)C(CCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NC(=O)C1=CC=C(C2=CN(C)C(=O)C(C)=C2)C=C1OC(C)C", "label": -1}, "7198": {"pro_comp_id": 4463, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_476_lig_smina_out.mol2", "protac_path": "4463_protac.mol2", "smiles": "CNC(=O)[C@H](CNC(=O)C1=CC=C(C2=CN(C)C(=O)C(C)=C2)C=C1OC(C)C)NC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "7199": {"pro_comp_id": 4464, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_476_lig_smina_out.mol2", "protac_path": "4464_protac.mol2", "smiles": "CNC(=O)[C@@H](CC1=CC=C(CNC(=O)C2=CC=C(C3=CN(C)C(=O)C(C)=C3)C=C2OC(C)C)C=C1)NC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "7200": {"pro_comp_id": 4465, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_476_lig_smina_out.mol2", "protac_path": "4465_protac.mol2", "smiles": "CNC(=O)CN(CCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)C(=O)C1=CC=C(C2=CN(C)C(=O)C(C)=C2)C=C1OC(C)C", "label": -1}, "7201": {"pro_comp_id": 4466, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_476_lig_smina_out.mol2", "protac_path": "4466_protac.mol2", "smiles": "CNC(=O)C(CCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NC(=O)C1=CC2=CC(C3=CN(C)C(=O)C(C)=C3)=CC(C)=C2O1", "label": -1}, "7202": {"pro_comp_id": 4467, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_476_lig_smina_out.mol2", "protac_path": "4467_protac.mol2", "smiles": "CNC(=O)C(CCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NC(=O)C1=CC(C2=CN(C)C(=O)C(C)=C2)=CC=N1", "label": -1}, "7203": {"pro_comp_id": 4468, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_476_lig_smina_out.mol2", "protac_path": "4468_protac.mol2", "smiles": "CNC(=O)C(CCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NC(=O)C1=C(C2=CN(C)C(=O)C(C)=C2)C=CS1", "label": -1}, "7204": {"pro_comp_id": 4469, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_476_lig_smina_out.mol2", "protac_path": "4469_protac.mol2", "smiles": "CNC(=O)C(CCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NC(=O)C1=CC=C(C2=CN(C)C(=O)C=C2)C=C1OC(C)C", "label": -1}, "7205": {"pro_comp_id": 4470, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_476_lig_smina_out.mol2", "protac_path": "4470_protac.mol2", "smiles": "CNC(=O)C(CCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NC(=O)C1=CC=C(C2=CC=C3C(=C2)CCC(=O)N3C)C=C1OC(C)C", "label": -1}, "7206": {"pro_comp_id": 4471, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "GPX4_P36969_440_lig_smina_out.mol2", "protac_path": "4471_protac.mol2", "smiles": "COC(=O)[C@@H]1CC2=C([NH]C3=CC=CC=C23)[C@@H](C2=CC=C(C(=O)N3CCN(CCCCCCCN[C@@H](C(=O)N4C[C@@H](O)C[C@@H]4C(=O)N[C@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C=C2)N1C(=O)CCl", "label": -1}, "7207": {"pro_comp_id": 4472, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "GPX4_P36969_440_lig_smina_out.mol2", "protac_path": "4472_protac.mol2", "smiles": "COC(=O)[C@@H]1CC2=C([NH]C3=CC=CC=C23)[C@@H](C2=CC=C(C(=O)N3CCN(CCCCCCCCCN[C@@H](C(=O)N4C[C@@H](O)C[C@@H]4C(=O)N[C@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C=C2)N1C(=O)CCl", "label": -1}, "7208": {"pro_comp_id": 4473, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "GPX4_P36969_440_lig_smina_out.mol2", "protac_path": "4473_protac.mol2", "smiles": "COC(=O)[C@@H]1CC2=C([NH]C3=CC=CC=C23)[C@@H](C2=CC=C(C(=O)N3CCN(CCCCCCCCCCCN[C@@H](C(=O)N4C[C@@H](O)C[C@@H]4C(=O)N[C@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C=C2)N1C(=O)CCl", "label": -1}, "7209": {"pro_comp_id": 4474, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "GPX4_P36969_440_lig_smina_out.mol2", "protac_path": "4474_protac.mol2", "smiles": "COC(=O)[C@@H]1CC2=C([NH]C3=CC=CC=C23)[C@@H](C2=CC=C(C(=O)N3CCN(CCCCCCCCCCCCN[C@@H](C(=O)N4C[C@@H](O)C[C@@H]4C(=O)N[C@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C=C2)N1C(=O)CCl", "label": -1}, "7210": {"pro_comp_id": 4475, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "GPX4_P36969_440_lig_smina_out.mol2", "protac_path": "4475_protac.mol2", "smiles": "COC(=O)[C@@H]1CC2=C([NH]C3=CC=CC=C23)[C@@H](C2=CC=C(C(=O)N3CCN(CCCCCCCCCCCCCN[C@@H](C(=O)N4C[C@@H](O)C[C@@H]4C(=O)N[C@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C=C2)N1C(=O)CCl", "label": -1}, "7211": {"pro_comp_id": 4476, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "GPX4_P36969_440_lig_smina_out.mol2", "protac_path": "4476_protac.mol2", "smiles": "COC(=O)[C@@H]1CC2=C([NH]C3=CC=CC=C23)[C@@H](C2=CC=C(C(=O)N3CCN(CCCCCCCCCCCCCCN[C@@H](C(=O)N4C[C@@H](O)C[C@@H]4C(=O)N[C@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C=C2)N1C(=O)CCl", "label": -1}, "7212": {"pro_comp_id": 4477, "tar_path": "PIP4K2C_Q8TBX8.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PIP4K2C_Q8TBX8_254_lig_smina_out.mol2", "protac_path": "4477_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCC(=O)NC4=CC=C(C(=O)NC5=CC=CC(NC6=CC(C7=C[NH]C8=CC=CC=C78)=NC=N6)=C5)C=C4)=C3C2=O)C(=O)N1", "label": -1}, "7213": {"pro_comp_id": 4478, "tar_path": "PIP4K2C_Q8TBX8.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PIP4K2C_Q8TBX8_254_lig_smina_out.mol2", "protac_path": "4478_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCC(=O)NC4=CC=C(C(=O)NC5=CC=CC(NC6=CC(C7=C[NH]C8=CC=CC=C78)=NC=N6)=C5)C=C4)=C3C2=O)C(=O)N1", "label": -1}, "7214": {"pro_comp_id": 4479, "tar_path": "PIP4K2C_Q8TBX8.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PIP4K2C_Q8TBX8_254_lig_smina_out.mol2", "protac_path": "4479_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCCCC(=O)NC1=CC=C(C(=O)NC2=CC=CC(NC3=CC(C4=C[NH]C5=CC=CC=C45)=NC=N3)=C2)C=C1", "label": -1}, "7215": {"pro_comp_id": 4480, "tar_path": "PIP4K2C_Q8TBX8.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PIP4K2C_Q8TBX8_254_lig_smina_out.mol2", "protac_path": "4480_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCCC(=O)NC1=CC=CC(NC2=CC(C3=C[NH]C4=CC=CC=C34)=NC=N2)=C1", "label": -1}, "7216": {"pro_comp_id": 4481, "tar_path": "PIP4K2C_Q8TBX8.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PIP4K2C_Q8TBX8_254_lig_smina_out.mol2", "protac_path": "4481_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOCCOCCC(=O)NC1=CC=CC(NC2=CC(C3=C[NH]C4=CC=CC=C34)=NC=N2)=C1", "label": -1}, "7217": {"pro_comp_id": 4482, "tar_path": "PIP4K2C_Q8TBX8.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PIP4K2C_Q8TBX8_254_lig_smina_out.mol2", "protac_path": "4482_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOCCOCCOCCC(=O)NC1=CC=CC(NC2=CC(C3=C[NH]C4=CC=CC=C34)=NC=N2)=C1", "label": -1}, "7218": {"pro_comp_id": 4483, "tar_path": "PIP4K2C_Q8TBX8.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PIP4K2C_Q8TBX8_254_lig_smina_out.mol2", "protac_path": "4483_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOCCOCCOCCOCCC(=O)NC1=CC=CC(NC2=CC(C3=C[NH]C4=CC=CC=C34)=NC=N2)=C1", "label": -1}, "7219": {"pro_comp_id": 4484, "tar_path": "PIP4K2C_Q8TBX8.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PIP4K2C_Q8TBX8_254_lig_smina_out.mol2", "protac_path": "4484_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(C#CCCCC(=O)NC4=CC=CC(NC5=CC(C6=C[NH]C7=CC=CC=C67)=NC=N5)=C4)=C3C2=O)C(=O)N1", "label": -1}, "7220": {"pro_comp_id": 4485, "tar_path": "PIP4K2C_Q8TBX8.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PIP4K2C_Q8TBX8_254_lig_smina_out.mol2", "protac_path": "4485_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(C#CCCCCCC(=O)NC4=CC=CC(NC5=CC(C6=C[NH]C7=CC=CC=C67)=NC=N5)=C4)=C3C2=O)C(=O)N1", "label": -1}, "7221": {"pro_comp_id": 4486, "tar_path": "PIP4K2C_Q8TBX8.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PIP4K2C_Q8TBX8_254_lig_smina_out.mol2", "protac_path": "4486_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CC(=O)NC3=CC=C(C(=O)NC4=CC=CC(NC5=CC(C6=C[NH]C7=CC=CC=C67)=NC=N5)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7222": {"pro_comp_id": 4487, "tar_path": "PIP4K2C_Q8TBX8.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PIP4K2C_Q8TBX8_254_lig_smina_out.mol2", "protac_path": "4487_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCC(=O)NC3=CC=C(C(=O)NC4=CC=CC(NC5=CC(C6=C[NH]C7=CC=CC=C67)=NC=N5)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7223": {"pro_comp_id": 4488, "tar_path": "PIP4K2C_Q8TBX8.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PIP4K2C_Q8TBX8_254_lig_smina_out.mol2", "protac_path": "4488_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCC(=O)NC3=CC=C(C(=O)NC4=CC=CC(NC5=CC(C6=C[NH]C7=CC=CC=C67)=NC=N5)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7224": {"pro_comp_id": 4489, "tar_path": "PIP4K2C_Q8TBX8.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PIP4K2C_Q8TBX8_254_lig_smina_out.mol2", "protac_path": "4489_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC=CC(NC5=CC(C6=C[NH]C7=CC=CC=C67)=NC=N5)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7225": {"pro_comp_id": 4490, "tar_path": "PIP4K2C_Q8TBX8.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PIP4K2C_Q8TBX8_254_lig_smina_out.mol2", "protac_path": "4490_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC=CC(NC5=CC(C6=C[NH]C7=CC=CC=C67)=NC=N5)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7226": {"pro_comp_id": 4491, "tar_path": "PIP4K2C_Q8TBX8.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PIP4K2C_Q8TBX8_254_lig_smina_out.mol2", "protac_path": "4491_protac.mol2", "smiles": "CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)C1=CC=C(C2=C(C(=O)NCCCCCNC(=O)C3=CC=C(C(=O)NC4=CC=CC(NC5=CC(C6=C[NH]C7=CC=CC=C67)=NC=N5)=C4)C=C3)N=CS2)C=C1)C(C)(C)C", "label": -1}, "7227": {"pro_comp_id": 4492, "tar_path": "PIP4K2C_Q8TBX8.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PIP4K2C_Q8TBX8_254_lig_smina_out.mol2", "protac_path": "4492_protac.mol2", "smiles": "CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)C1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)SCCCCCNC(=O)NC1=CC=C(C(=O)NC2=CC=CC(NC3=CC(C4=C[NH]C5=CC=CC=C45)=NC=N3)=C2)C=C1", "label": -1}, "7228": {"pro_comp_id": 4493, "tar_path": "PIP4K2C_Q8TBX8.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PIP4K2C_Q8TBX8_254_lig_smina_out.mol2", "protac_path": "4493_protac.mol2", "smiles": "CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)C1=CC=C(C2=C(C)N=CS2)C=C1OCCCCCNC(=O)C1=CC=C(C(=O)NC2=CC=CC(NC3=CC(C4=C[NH]C5=CC=CC=C45)=NC=N3)=C2)C=C1)C(C)(C)C", "label": -1}, "7229": {"pro_comp_id": 4494, "tar_path": "PIP4K2C_Q8TBX8.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PIP4K2C_Q8TBX8_254_lig_smina_out.mol2", "protac_path": "4494_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCNC(=O)C3=CC=C(C(=O)NC4=CC=CC(NC5=CC(C6=C[NH]C7=CC=CC=C67)=NC=N5)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7230": {"pro_comp_id": 4495, "tar_path": "PIP4K2C_Q8TBX8.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PIP4K2C_Q8TBX8_254_lig_smina_out.mol2", "protac_path": "4495_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCNC(=O)C3=CC=C(C(=O)NC4=CC=CC(NC5=CC(C6=C[NH]C7=CC=CC=C67)=NC=N5)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7231": {"pro_comp_id": 4496, "tar_path": "PIP4K2C_Q8TBX8.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PIP4K2C_Q8TBX8_254_lig_smina_out.mol2", "protac_path": "4496_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCNC(=O)C3=CC=C(C(=O)NC4=CC=CC(NC5=CC(C6=C[NH]C7=CC=CC=C67)=NC=N5)=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7232": {"pro_comp_id": 4497, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4497_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCC(=O)NCC1=CC=C(CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7233": {"pro_comp_id": 4498, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4498_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCC(=O)NCCNC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7234": {"pro_comp_id": 4499, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4499_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCC(=O)NCCOC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7235": {"pro_comp_id": 4500, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4500_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)C1=CC=C(NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7236": {"pro_comp_id": 4501, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4501_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCNC(=O)C1=CC=C(COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7237": {"pro_comp_id": 4502, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4502_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)C1=CC=C(COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7238": {"pro_comp_id": 4503, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4503_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCNC(=O)C1=CC=C(COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7239": {"pro_comp_id": 4504, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4504_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCNC(=O)C1=CC=C(COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7240": {"pro_comp_id": 4505, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4505_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCNC(=O)C1=CC=C(COC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7241": {"pro_comp_id": 4506, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4506_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)C1=CC=C(COC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7242": {"pro_comp_id": 4507, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_477_lig_smina_out.mol2", "protac_path": "4507_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCN3CCN(S(=O)(=O)C4=CC=C(NC(=O)NCC5=CC=CN=C5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7243": {"pro_comp_id": 4508, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_477_lig_smina_out.mol2", "protac_path": "4508_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCN3CCN(S(=O)(=O)C4=CC=C(NC(=O)NCC5=CC=CN=C5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7244": {"pro_comp_id": 4509, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_477_lig_smina_out.mol2", "protac_path": "4509_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCN3CCN(S(=O)(=O)C4=CC=C(NC(=O)NCC5=CC=CN=C5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7245": {"pro_comp_id": 4510, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_477_lig_smina_out.mol2", "protac_path": "4510_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCN3CCN(S(=O)(=O)C4=CC=C(NC(=O)NCC5=CC=CN=C5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7246": {"pro_comp_id": 4511, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_477_lig_smina_out.mol2", "protac_path": "4511_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCN3CCN(S(=O)(=O)C4=CC=C(NC(=O)NCC5=CC=CN=C5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7247": {"pro_comp_id": 4512, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_477_lig_smina_out.mol2", "protac_path": "4512_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCN3CCN(S(=O)(=O)C4=CC=C(NC(=O)NCC5=CC=CN=C5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7248": {"pro_comp_id": 4513, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_477_lig_smina_out.mol2", "protac_path": "4513_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCN3CCN(S(=O)(=O)C4=CC=C(NC(=O)NCC5=CC=CN=C5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7249": {"pro_comp_id": 4514, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_477_lig_smina_out.mol2", "protac_path": "4514_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCN3CCN(S(=O)(=O)C4=CC=C(NC(=O)NCC5=CC=CN=C5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7250": {"pro_comp_id": 4515, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_477_lig_smina_out.mol2", "protac_path": "4515_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCN3CCN(S(=O)(=O)C4=CC=C(NC(=O)NCC5=CC=CN=C5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7251": {"pro_comp_id": 4516, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_477_lig_smina_out.mol2", "protac_path": "4516_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCN3CCN(S(=O)(=O)C4=CC=C(NC(=O)NCC5=CC=CN=C5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7252": {"pro_comp_id": 4517, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_477_lig_smina_out.mol2", "protac_path": "4517_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCN3CCN(S(=O)(=O)C4=CC=C(NC(=O)NCC5=CC=CN=C5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7253": {"pro_comp_id": 4518, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_477_lig_smina_out.mol2", "protac_path": "4518_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCN3C=C(CCN4CCN(S(=O)(=O)C5=CC=C(NC(=O)NCC6=CC=CN=C6)C=C5)CC4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7254": {"pro_comp_id": 4519, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_477_lig_smina_out.mol2", "protac_path": "4519_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCN3C=C(CCN4CCN(S(=O)(=O)C5=CC=C(NC(=O)NCC6=CC=CN=C6)C=C5)CC4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7255": {"pro_comp_id": 4520, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_477_lig_smina_out.mol2", "protac_path": "4520_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCN3C=C(CCN4CCN(S(=O)(=O)C5=CC=C(NC(=O)NCC6=CC=CN=C6)C=C5)CC4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7256": {"pro_comp_id": 4521, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_477_lig_smina_out.mol2", "protac_path": "4521_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCN3C=C(CCN4CCN(S(=O)(=O)C5=CC=C(NC(=O)NCC6=CC=CN=C6)C=C5)CC4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7257": {"pro_comp_id": 4522, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_477_lig_smina_out.mol2", "protac_path": "4522_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCN3C=C(CCN4CCN(S(=O)(=O)C5=CC=C(NC(=O)NCC6=CC=CN=C6)C=C5)CC4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7268": {"pro_comp_id": 4533, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_478_lig_smina_out.mol2", "protac_path": "4533_protac.mol2", "smiles": "COC(C)(C)CCC[C@@](C)(O)C1CC[C@]2(C)C1[C@H](O)CC1[C@@]3(C)CC[C@H](OCC(=O)NCCCCCOC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)CC5=C4)C(C)(C)C3CC[C@]12C", "label": -1}, "7269": {"pro_comp_id": 4534, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_478_lig_smina_out.mol2", "protac_path": "4534_protac.mol2", "smiles": "COC(C)(C)CCC[C@@](C)(O)C1CC[C@]2(C)C1[C@H](O)CC1[C@@]3(C)CC[C@H](OCC(=O)NCCCCCCCOC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)CC5=C4)C(C)(C)C3CC[C@]12C", "label": -1}, "7270": {"pro_comp_id": 4535, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_478_lig_smina_out.mol2", "protac_path": "4535_protac.mol2", "smiles": "COC(C)(C)CCC[C@@](C)(O)C1CC[C@]2(C)C1[C@H](O)CC1[C@@]3(C)CC[C@H](OCC(=O)NCCOCCOC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)CC5=C4)C(C)(C)C3CC[C@]12C", "label": -1}, "7271": {"pro_comp_id": 4536, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_478_lig_smina_out.mol2", "protac_path": "4536_protac.mol2", "smiles": "COC(C)(C)CCC[C@@](C)(O)C1CC[C@]2(C)C1[C@H](O)CC1[C@@]3(C)CC[C@H](OCC(=O)NCCOCCOCCOCCOC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)CC5=C4)C(C)(C)C3CC[C@]12C", "label": -1}, "7272": {"pro_comp_id": 4537, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_478_lig_smina_out.mol2", "protac_path": "4537_protac.mol2", "smiles": "COC(C)(C)CCC[C@@](C)(O)C1CC[C@]2(C)C1[C@H](O)CC1[C@@]3(C)CC[C@H](OCC(=O)N4CCC(CN5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)CC7=C6)CC5)CC4)C(C)(C)C3CC[C@]12C", "label": -1}, "7273": {"pro_comp_id": 4538, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MDM2_Q00987_478_lig_smina_out.mol2", "protac_path": "4538_protac.mol2", "smiles": "COC(C)(C)CCC[C@@](C)(O)C1CC[C@]2(C)C1[C@H](O)CC1[C@@]3(C)CC[C@H](OCC(=O)NCCCCCOC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C(C)(C)C3CC[C@]12C", "label": -1}, "7274": {"pro_comp_id": 4539, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MDM2_Q00987_478_lig_smina_out.mol2", "protac_path": "4539_protac.mol2", "smiles": "COC(C)(C)CCC[C@@](C)(O)C1CC[C@]2(C)C1[C@H](O)CC1[C@@]3(C)CC[C@H](OCC(=O)NCCCCCCCOC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C(C)(C)C3CC[C@]12C", "label": -1}, "7275": {"pro_comp_id": 4540, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MDM2_Q00987_478_lig_smina_out.mol2", "protac_path": "4540_protac.mol2", "smiles": "COC(C)(C)CCC[C@@](C)(O)C1CC[C@]2(C)C1[C@H](O)CC1[C@@]3(C)CC[C@H](OCC(=O)NCCOCCOC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C(C)(C)C3CC[C@]12C", "label": -1}, "7276": {"pro_comp_id": 4541, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MDM2_Q00987_478_lig_smina_out.mol2", "protac_path": "4541_protac.mol2", "smiles": "COC(C)(C)CCC[C@@](C)(O)C1CC[C@]2(C)C1[C@H](O)CC1[C@@]3(C)CC[C@H](OCC(=O)NCCOCCOCCOCCOC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C(C)(C)C3CC[C@]12C", "label": -1}, "7277": {"pro_comp_id": 4542, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MDM2_Q00987_478_lig_smina_out.mol2", "protac_path": "4542_protac.mol2", "smiles": "COC(C)(C)CCC[C@@](C)(O)C1CC[C@]2(C)C1[C@H](O)CC1[C@@]3(C)CC[C@H](OCC(=O)N4CCC(CN5CCN(C6=CC7=C(C=C6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)C(C)(C)C3CC[C@]12C", "label": -1}, "7278": {"pro_comp_id": 4543, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MDM2_Q00987_478_lig_smina_out.mol2", "protac_path": "4543_protac.mol2", "smiles": "COC(C)(C)CCCC(C)(O)C1CC[C@]2(C)C1[C@H](OCC(=O)N1CCC(CN3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)CC5=C4)CC3)CC1)CC1[C@@]3(C)CC[C@H](O)C(C)(C)C3CC[C@]12C", "label": -1}, "7279": {"pro_comp_id": 4544, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MDM2_Q00987_478_lig_smina_out.mol2", "protac_path": "4544_protac.mol2", "smiles": "COC(C)(C)CCCC(C)(O)C1CC[C@]2(C)C1[C@H](OCC(=O)NCCCCCOC1=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C1)CC1[C@@]3(C)CC[C@H](O)C(C)(C)C3CC[C@]12C", "label": -1}, "7280": {"pro_comp_id": 4545, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MDM2_Q00987_478_lig_smina_out.mol2", "protac_path": "4545_protac.mol2", "smiles": "COC(C)(C)CCCC(C)(O)C1CC[C@]2(C)C1[C@H](OCC(=O)N1CCC(CN3CCN(C4=CC5=C(C=C4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC1)CC1[C@@]3(C)CC[C@H](O)C(C)(C)C3CC[C@]12C", "label": -1}, "7281": {"pro_comp_id": 4546, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AURKA_O14965_479_lig_smina_out.mol2", "protac_path": "4546_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOCCOCCNC(=O)[C@]1(CC2=CC=CC(NC3=NC=CS3)=N2)CC[C@@H](OC2=CC=CC(Cl)=C2F)CC1", "label": -1}, "7282": {"pro_comp_id": 4547, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AURKA_O14965_479_lig_smina_out.mol2", "protac_path": "4547_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOCCOCCOCCNC(=O)[C@]1(CC2=CC=CC(NC3=NC=CS3)=N2)CC[C@@H](OC2=CC=CC(Cl)=C2F)CC1", "label": -1}, "7283": {"pro_comp_id": 4548, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AURKA_O14965_479_lig_smina_out.mol2", "protac_path": "4548_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(OCCOCCNC(=O)[C@]4(CC5=CC=CC(NC6=NC=CS6)=N5)CC[C@@H](OC5=CC=CC(Cl)=C5F)CC4)=C3C2=O)C(=O)N1", "label": -1}, "7284": {"pro_comp_id": 4549, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AURKA_O14965_479_lig_smina_out.mol2", "protac_path": "4549_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(OCCOCCOCCNC(=O)[C@]4(CC5=CC=CC(NC6=NC=CS6)=N5)CC[C@@H](OC5=CC=CC(Cl)=C5F)CC4)=C3C2=O)C(=O)N1", "label": -1}, "7285": {"pro_comp_id": 4550, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AURKA_O14965_479_lig_smina_out.mol2", "protac_path": "4550_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(OCCOCCOCCOCCNC(=O)[C@]4(CC5=CC=CC(NC6=NC=CS6)=N5)CC[C@@H](OC5=CC=CC(Cl)=C5F)CC4)=C3C2=O)C(=O)N1", "label": -1}, "7286": {"pro_comp_id": 4551, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AURKA_O14965_479_lig_smina_out.mol2", "protac_path": "4551_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(OCCOCCOCCOCCOCCNC(=O)[C@]4(CC5=CC=CC(NC6=NC=CS6)=N5)CC[C@@H](OC5=CC=CC(Cl)=C5F)CC4)=C3C2=O)C(=O)N1", "label": -1}, "7287": {"pro_comp_id": 4552, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AURKA_O14965_479_lig_smina_out.mol2", "protac_path": "4552_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(OCCOCCNC(=O)[C@]4(CC5=CC=CC(NC6=NC=CS6)=N5)CC[C@@H](OC5=CC=CC(Cl)=C5F)CC4)C=C3C2=O)C(=O)N1", "label": -1}, "7288": {"pro_comp_id": 4553, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AURKA_O14965_479_lig_smina_out.mol2", "protac_path": "4553_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(OCCOCCOCCNC(=O)[C@]4(CC5=CC=CC(NC6=NC=CS6)=N5)CC[C@@H](OC5=CC=CC(Cl)=C5F)CC4)C=C3C2=O)C(=O)N1", "label": -1}, "7289": {"pro_comp_id": 4554, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AURKA_O14965_479_lig_smina_out.mol2", "protac_path": "4554_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(OCCOCCOCCOCCNC(=O)[C@]4(CC5=CC=CC(NC6=NC=CS6)=N5)CC[C@@H](OC5=CC=CC(Cl)=C5F)CC4)C=C3C2=O)C(=O)N1", "label": -1}, "7290": {"pro_comp_id": 4555, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AURKA_O14965_479_lig_smina_out.mol2", "protac_path": "4555_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(OCCOCCOCCOCCOCCNC(=O)[C@]4(CC5=CC=CC(NC6=NC=CS6)=N5)CC[C@@H](OC5=CC=CC(Cl)=C5F)CC4)C=C3C2=O)C(=O)N1", "label": -1}, "7291": {"pro_comp_id": 4556, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_480_lig_smina_out.mol2", "protac_path": "4556_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3C=C(COC(=O)NCC4=CC=C(C(=O)NC5=CC=CC=C5N)C=C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7292": {"pro_comp_id": 4556, "tar_path": "HDAC2_Q92769.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC2_Q92769_480_lig_smina_out.mol2", "protac_path": "4556_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3C=C(COC(=O)NCC4=CC=C(C(=O)NC5=CC=CC=C5N)C=C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7293": {"pro_comp_id": 4556, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC3_O15379_480_lig_smina_out.mol2", "protac_path": "4556_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3C=C(COC(=O)NCC4=CC=C(C(=O)NC5=CC=CC=C5N)C=C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7294": {"pro_comp_id": 4557, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_481_lig_smina_out.mol2", "protac_path": "4557_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3C=C(COC(=O)NCC4=CC=C(C(=O)NC5=CC=C(F)C=C5N)C=C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7295": {"pro_comp_id": 4557, "tar_path": "HDAC2_Q92769.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC2_Q92769_481_lig_smina_out.mol2", "protac_path": "4557_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3C=C(COC(=O)NCC4=CC=C(C(=O)NC5=CC=C(F)C=C5N)C=C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7296": {"pro_comp_id": 4557, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC3_O15379_481_lig_smina_out.mol2", "protac_path": "4557_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3C=C(COC(=O)NCC4=CC=C(C(=O)NC5=CC=C(F)C=C5N)C=C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7297": {"pro_comp_id": 4558, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_480_lig_smina_out.mol2", "protac_path": "4558_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCN3C=C(COC(=O)NCC4=CC=C(C(=O)NC5=CC=CC=C5N)C=C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7298": {"pro_comp_id": 4558, "tar_path": "HDAC2_Q92769.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC2_Q92769_480_lig_smina_out.mol2", "protac_path": "4558_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCN3C=C(COC(=O)NCC4=CC=C(C(=O)NC5=CC=CC=C5N)C=C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7299": {"pro_comp_id": 4558, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC3_O15379_480_lig_smina_out.mol2", "protac_path": "4558_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCN3C=C(COC(=O)NCC4=CC=C(C(=O)NC5=CC=CC=C5N)C=C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7300": {"pro_comp_id": 4559, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_481_lig_smina_out.mol2", "protac_path": "4559_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCN3C=C(COC(=O)NCC4=CC=C(C(=O)NC5=CC=C(F)C=C5N)C=C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7301": {"pro_comp_id": 4559, "tar_path": "HDAC2_Q92769.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC2_Q92769_481_lig_smina_out.mol2", "protac_path": "4559_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCN3C=C(COC(=O)NCC4=CC=C(C(=O)NC5=CC=C(F)C=C5N)C=C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7302": {"pro_comp_id": 4559, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC3_O15379_481_lig_smina_out.mol2", "protac_path": "4559_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCN3C=C(COC(=O)NCC4=CC=C(C(=O)NC5=CC=C(F)C=C5N)C=C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7303": {"pro_comp_id": 4560, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_480_lig_smina_out.mol2", "protac_path": "4560_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCN3C=C(COC(=O)NCC4=CC=C(C(=O)NC5=CC=CC=C5N)C=C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7304": {"pro_comp_id": 4560, "tar_path": "HDAC2_Q92769.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC2_Q92769_480_lig_smina_out.mol2", "protac_path": "4560_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCN3C=C(COC(=O)NCC4=CC=C(C(=O)NC5=CC=CC=C5N)C=C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7305": {"pro_comp_id": 4560, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC3_O15379_480_lig_smina_out.mol2", "protac_path": "4560_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCN3C=C(COC(=O)NCC4=CC=C(C(=O)NC5=CC=CC=C5N)C=C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7306": {"pro_comp_id": 4561, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_481_lig_smina_out.mol2", "protac_path": "4561_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCN3C=C(COC(=O)NCC4=CC=C(C(=O)NC5=CC=C(F)C=C5N)C=C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7307": {"pro_comp_id": 4561, "tar_path": "HDAC2_Q92769.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC2_Q92769_481_lig_smina_out.mol2", "protac_path": "4561_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCN3C=C(COC(=O)NCC4=CC=C(C(=O)NC5=CC=C(F)C=C5N)C=C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7308": {"pro_comp_id": 4561, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC3_O15379_481_lig_smina_out.mol2", "protac_path": "4561_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCN3C=C(COC(=O)NCC4=CC=C(C(=O)NC5=CC=C(F)C=C5N)C=C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7309": {"pro_comp_id": 4562, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_480_lig_smina_out.mol2", "protac_path": "4562_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCN3C=C(COC(=O)NCC4=CC=C(C(=O)NC5=CC=CC=C5N)C=C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7310": {"pro_comp_id": 4562, "tar_path": "HDAC2_Q92769.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC2_Q92769_480_lig_smina_out.mol2", "protac_path": "4562_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCN3C=C(COC(=O)NCC4=CC=C(C(=O)NC5=CC=CC=C5N)C=C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7311": {"pro_comp_id": 4562, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC3_O15379_480_lig_smina_out.mol2", "protac_path": "4562_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCN3C=C(COC(=O)NCC4=CC=C(C(=O)NC5=CC=CC=C5N)C=C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7312": {"pro_comp_id": 4563, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_481_lig_smina_out.mol2", "protac_path": "4563_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCN3C=C(COC(=O)NCC4=CC=C(C(=O)NC5=CC=C(F)C=C5N)C=C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7313": {"pro_comp_id": 4563, "tar_path": "HDAC2_Q92769.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC2_Q92769_481_lig_smina_out.mol2", "protac_path": "4563_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCN3C=C(COC(=O)NCC4=CC=C(C(=O)NC5=CC=C(F)C=C5N)C=C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7314": {"pro_comp_id": 4563, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC3_O15379_481_lig_smina_out.mol2", "protac_path": "4563_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCN3C=C(COC(=O)NCC4=CC=C(C(=O)NC5=CC=C(F)C=C5N)C=C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7315": {"pro_comp_id": 4564, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_480_lig_smina_out.mol2", "protac_path": "4564_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCN3C=C(CCCOC(=O)NCC4=CC=C(C(=O)NC5=CC=CC=C5N)C=C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7316": {"pro_comp_id": 4564, "tar_path": "HDAC2_Q92769.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC2_Q92769_480_lig_smina_out.mol2", "protac_path": "4564_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCN3C=C(CCCOC(=O)NCC4=CC=C(C(=O)NC5=CC=CC=C5N)C=C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7317": {"pro_comp_id": 4564, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC3_O15379_480_lig_smina_out.mol2", "protac_path": "4564_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCN3C=C(CCCOC(=O)NCC4=CC=C(C(=O)NC5=CC=CC=C5N)C=C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7318": {"pro_comp_id": 4565, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_481_lig_smina_out.mol2", "protac_path": "4565_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCN3C=C(CCCOC(=O)NCC4=CC=C(C(=O)NC5=CC=C(F)C=C5N)C=C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7319": {"pro_comp_id": 4565, "tar_path": "HDAC2_Q92769.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC2_Q92769_481_lig_smina_out.mol2", "protac_path": "4565_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCN3C=C(CCCOC(=O)NCC4=CC=C(C(=O)NC5=CC=C(F)C=C5N)C=C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7320": {"pro_comp_id": 4565, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC3_O15379_481_lig_smina_out.mol2", "protac_path": "4565_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCN3C=C(CCCOC(=O)NCC4=CC=C(C(=O)NC5=CC=C(F)C=C5N)C=C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7321": {"pro_comp_id": 4566, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_480_lig_smina_out.mol2", "protac_path": "4566_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCN3C=C(COC(=O)NCC4=CC=C(C(=O)NC5=CC=CC=C5N)C=C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7322": {"pro_comp_id": 4566, "tar_path": "HDAC2_Q92769.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC2_Q92769_480_lig_smina_out.mol2", "protac_path": "4566_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCN3C=C(COC(=O)NCC4=CC=C(C(=O)NC5=CC=CC=C5N)C=C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7323": {"pro_comp_id": 4566, "tar_path": "HDAC3_O15379.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC3_O15379_480_lig_smina_out.mol2", "protac_path": "4566_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCN3C=C(COC(=O)NCC4=CC=C(C(=O)NC5=CC=CC=C5N)C=C4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7327": {"pro_comp_id": 4568, "tar_path": "LDHA_P00338.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "LDHA_P00338_482_lig_smina_out.mol2", "protac_path": "4568_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCC(=O)NCCCCC#CC3=CC=CC(C4=NN(C5=NC(C(=O)O)=CS5)C(CC5CC5)=C4CC4=CC=C(S(N)(=O)=O)C=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7328": {"pro_comp_id": 4569, "tar_path": "LDHA_P00338.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "LDHA_P00338_482_lig_smina_out.mol2", "protac_path": "4569_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCC(=O)NCCCCC#CC3=CC=CC(C4=NN(C5=NC(C(=O)O)=CS5)C(CC5CC5)=C4CC4=CC=C(S(N)(=O)=O)C=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7329": {"pro_comp_id": 4570, "tar_path": "LDHA_P00338.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "LDHA_P00338_482_lig_smina_out.mol2", "protac_path": "4570_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCC(=O)NCCCCC#CC3=CC=CC(C4=NN(C5=NC(C(=O)O)=CS5)C(CC5CC5)=C4CC4=CC=C(S(N)(=O)=O)C=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7330": {"pro_comp_id": 4571, "tar_path": "LDHA_P00338.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "LDHA_P00338_482_lig_smina_out.mol2", "protac_path": "4571_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCC(=O)NCCCCC#CC3=CC=CC(C4=NN(C5=NC(C(=O)O)=CS5)C(CC5CC5)=C4CC4=CC=C(S(N)(=O)=O)C=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7331": {"pro_comp_id": 4572, "tar_path": "LDHA_P00338.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "LDHA_P00338_482_lig_smina_out.mol2", "protac_path": "4572_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCC(=O)NCCCCC#CC3=CC=CC(C4=NN(C5=NC(C(=O)O)=CS5)C(CC5CC5)=C4CC4=CC=C(S(N)(=O)=O)C=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7332": {"pro_comp_id": 4573, "tar_path": "LDHA_P00338.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "LDHA_P00338_482_lig_smina_out.mol2", "protac_path": "4573_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCC(=O)NCCCCC#CC3=CC=CC(C4=NN(C5=NC(C(=O)O)=CS5)C(CC5CC5)=C4CC4=CC=C(S(N)(=O)=O)C=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7333": {"pro_comp_id": 4574, "tar_path": "LDHA_P00338.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "LDHA_P00338_482_lig_smina_out.mol2", "protac_path": "4574_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCC(=O)NCCCCC#CC3=CC=CC(C4=NN(C5=NC(C(=O)O)=CS5)C(CC5CC5)=C4CC4=CC=C(S(N)(=O)=O)C=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7334": {"pro_comp_id": 4575, "tar_path": "LDHA_P00338.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "LDHA_P00338_482_lig_smina_out.mol2", "protac_path": "4575_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCC(=O)NCCCCC#CC3=CC=CC(C4=NN(C5=NC(C(=O)O)=CS5)C(CC5CC5)=C4CC4=CC=C(S(N)(=O)=O)C=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7335": {"pro_comp_id": 4576, "tar_path": "LDHA_P00338.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "LDHA_P00338_482_lig_smina_out.mol2", "protac_path": "4576_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCC(=O)NCCCCC#CC3=CC=CC(C4=NN(C5=NC(C(=O)O)=CS5)C(CC5CC5)=C4CC4=CC=C(S(N)(=O)=O)C=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7336": {"pro_comp_id": 4577, "tar_path": "LDHA_P00338.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "LDHA_P00338_482_lig_smina_out.mol2", "protac_path": "4577_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCC(=O)NCCCCC#CC3=CC=CC(C4=NN(C5=NC(C(=O)O)=CS5)C(CC5CC5)=C4CC4=CC=C(S(N)(=O)=O)C=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7337": {"pro_comp_id": 4577, "tar_path": "LDHB_P07195.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "LDHB_P07195_482_lig_smina_out.mol2", "protac_path": "4577_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCC(=O)NCCCCC#CC3=CC=CC(C4=NN(C5=NC(C(=O)O)=CS5)C(CC5CC5)=C4CC4=CC=C(S(N)(=O)=O)C=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7338": {"pro_comp_id": 4578, "tar_path": "LDHA_P00338.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "LDHA_P00338_482_lig_smina_out.mol2", "protac_path": "4578_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCCC(=O)NCCCCC#CC3=CC=CC(C4=NN(C5=NC(C(=O)O)=CS5)C(CC5CC5)=C4CC4=CC=C(S(N)(=O)=O)C=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7339": {"pro_comp_id": 4579, "tar_path": "LDHA_P00338.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "LDHA_P00338_482_lig_smina_out.mol2", "protac_path": "4579_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCC(=O)NCCCCC#CC3=CC=CC(C4=NN(C5=NC(C(=O)O)=CS5)C(CC5CC5)=C4CC4=CC=C(S(N)(=O)=O)C=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7340": {"pro_comp_id": 4580, "tar_path": "LDHA_P00338.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "LDHA_P00338_482_lig_smina_out.mol2", "protac_path": "4580_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCC(=O)NCCCCC#CC3=CC=CC(C4=NN(C5=NC(C(=O)O)=CS5)C(CC5CC5)=C4CC4=CC=C(S(N)(=O)=O)C=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7341": {"pro_comp_id": 4581, "tar_path": "LDHA_P00338.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "LDHA_P00338_482_lig_smina_out.mol2", "protac_path": "4581_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCC(=O)NCCCCC#CC3=CC=CC(C4=NN(C5=NC(C(=O)O)=CS5)C(CC5CC5)=C4CC4=CC=C(S(N)(=O)=O)C=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7342": {"pro_comp_id": 4582, "tar_path": "LDHA_P00338.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "LDHA_P00338_482_lig_smina_out.mol2", "protac_path": "4582_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCC(=O)NCCCCC#CC3=CC=CC(C4=NN(C5=NC(C(=O)O)=CS5)C(CC5CC5)=C4CC4=CC=C(S(N)(=O)=O)C=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7343": {"pro_comp_id": 4583, "tar_path": "LDHA_P00338.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "LDHA_P00338_482_lig_smina_out.mol2", "protac_path": "4583_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCC(=O)NCCCCC#CC3=CC=CC(C4=NN(C5=NC(C(=O)O)=CS5)C(CC5CC5)=C4CC4=CC=C(S(N)(=O)=O)C=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7344": {"pro_comp_id": 4584, "tar_path": "LDHA_P00338.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "LDHA_P00338_482_lig_smina_out.mol2", "protac_path": "4584_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCC(=O)NCCCCC#CC3=CC=CC(C4=NN(C5=NC(C(=O)O)=CS5)C(CC5CC5)=C4CC4=CC=C(S(N)(=O)=O)C=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7345": {"pro_comp_id": 4585, "tar_path": "LDHA_P00338.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "LDHA_P00338_482_lig_smina_out.mol2", "protac_path": "4585_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCC(=O)NCCCCC#CC3=CC=CC(C4=NN(C5=NC(C(=O)O)=CS5)C(CC5CC5)=C4CC4=CC=C(S(N)(=O)=O)C=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7346": {"pro_comp_id": 4586, "tar_path": "LDHA_P00338.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "LDHA_P00338_482_lig_smina_out.mol2", "protac_path": "4586_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCC(=O)NCCCCC#CC3=CC=CC(C4=NN(C5=NC(C(=O)O)=CS5)C(CC5CC5)=C4CC4=CC=C(S(N)(=O)=O)C=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7347": {"pro_comp_id": 4587, "tar_path": "LDHA_P00338.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "LDHA_P00338_482_lig_smina_out.mol2", "protac_path": "4587_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCC(=O)NCCCCC#CC3=CC=CC(C4=NN(C5=NC(C(=O)O)=CS5)C(CC5CC5)=C4CC4=CC=C(S(N)(=O)=O)C=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7348": {"pro_comp_id": 4588, "tar_path": "SMAD3_P84022.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMAD3_P84022_483_lig_smina_out.mol2", "protac_path": "4588_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCC(=O)NC(C3=CC=CN=C3)C3=CC4=CC=CC=C4O3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7349": {"pro_comp_id": 4589, "tar_path": "SMAD3_P84022.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMAD3_P84022_483_lig_smina_out.mol2", "protac_path": "4589_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCC(=O)NC(C3=CC=CN=C3)C3=CC4=CC=CC=C4O3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7350": {"pro_comp_id": 4590, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FLT3-ITD_P36888_484_lig_smina_out.mol2", "protac_path": "4590_protac.mol2", "smiles": "CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(CC5CCN(C(=O)CCOCCOCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1", "label": -1}, "7351": {"pro_comp_id": 4591, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FLT3-ITD_P36888_484_lig_smina_out.mol2", "protac_path": "4591_protac.mol2", "smiles": "CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(CC5CCN(C(=O)CCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1", "label": -1}, "7352": {"pro_comp_id": 4592, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FLT3-ITD_P36888_484_lig_smina_out.mol2", "protac_path": "4592_protac.mol2", "smiles": "CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(CC5CCN(C(=O)CCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1", "label": -1}, "7353": {"pro_comp_id": 4593, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FLT3-ITD_P36888_484_lig_smina_out.mol2", "protac_path": "4593_protac.mol2", "smiles": "CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(CC5CCN(C(=O)CCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1", "label": -1}, "7354": {"pro_comp_id": 4594, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FLT3-ITD_P36888_485_lig_smina_out.mol2", "protac_path": "4594_protac.mol2", "smiles": "CC1(COC2=CC=C3C(=C2)N=CN3C2=CC=C3C=CC=C(N4CCC(N)CC4)C3=N2)CN(C(=O)CCOCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1", "label": -1}, "7355": {"pro_comp_id": 4595, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "FLT3-ITD_P36888_485_lig_smina_out.mol2", "protac_path": "4595_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCC(=O)N3CC(C)(COC4=CC=C5C(=C4)N=CN5C4=CC=C5C=CC=C(N6CCC(N)CC6)C5=N4)C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7357": {"pro_comp_id": 4597, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "FLT3-ITD_P36888_484_lig_smina_out.mol2", "protac_path": "4597_protac.mol2", "smiles": "CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(CC5CCN(C(=O)CCOCCOCCOCCOCCOCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1", "label": -1}, "7359": {"pro_comp_id": 4599, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4599_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)OC1=CC=C3N=C(C4N=C(C(=O)NCCOCCOCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CS4)SC3=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7360": {"pro_comp_id": 4600, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_486_lig_smina_out.mol2", "protac_path": "4600_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCC4=CN(CCCOC5=CC=C(CN6C=CC7=CC=C(C(=O)NO)C=C76)C=C5)N=N4)=C3C2=O)C(=O)N1", "label": -1}, "7361": {"pro_comp_id": 4601, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_486_lig_smina_out.mol2", "protac_path": "4601_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCC4=CN(CCCCOC5=CC=C(CN6C=CC7=CC=C(C(=O)NO)C=C76)C=C5)N=N4)=C3C2=O)C(=O)N1", "label": -1}, "7362": {"pro_comp_id": 4602, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_486_lig_smina_out.mol2", "protac_path": "4602_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCC4=CN(CCCCCOC5=CC=C(CN6C=CC7=CC=C(C(=O)NO)C=C76)C=C5)N=N4)=C3C2=O)C(=O)N1", "label": -1}, "7363": {"pro_comp_id": 4603, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_486_lig_smina_out.mol2", "protac_path": "4603_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCC4=CN(CCCCCCOC5=CC=C(CN6C=CC7=CC=C(C(=O)NO)C=C76)C=C5)N=N4)=C3C2=O)C(=O)N1", "label": -1}, "7364": {"pro_comp_id": 4604, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_486_lig_smina_out.mol2", "protac_path": "4604_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCC4=CN(CCOCCOC5=CC=C(CN6C=CC7=CC=C(C(=O)NO)C=C76)C=C5)N=N4)=C3C2=O)C(=O)N1", "label": -1}, "7365": {"pro_comp_id": 4605, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_486_lig_smina_out.mol2", "protac_path": "4605_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCC4=CN(CCOCCOCCOC5=CC=C(CN6C=CC7=CC=C(C(=O)NO)C=C76)C=C5)N=N4)=C3C2=O)C(=O)N1", "label": -1}, "7366": {"pro_comp_id": 4606, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_486_lig_smina_out.mol2", "protac_path": "4606_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCC4=CN(CCOCCOCCOCCOC5=CC=C(CN6C=CC7=CC=C(C(=O)NO)C=C76)C=C5)N=N4)=C3C2=O)C(=O)N1", "label": -1}, "7367": {"pro_comp_id": 4607, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_486_lig_smina_out.mol2", "protac_path": "4607_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCC4=CN(CCOCCOCCOCCOCCOC5=CC=C(CN6C=CC7=CC=C(C(=O)NO)C=C76)C=C5)N=N4)=C3C2=O)C(=O)N1", "label": -1}, "7368": {"pro_comp_id": 4608, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_486_lig_smina_out.mol2", "protac_path": "4608_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCC4=CN(CCCCCOC5=CC=C(CN6C=CC7=CC=C(C(=O)NO)C=C76)C=C5)N=N4)=C3C2=O)C(=O)N1", "label": -1}, "7369": {"pro_comp_id": 4609, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_486_lig_smina_out.mol2", "protac_path": "4609_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCC4=CN(CCOCCOC5=CC=C(CN6C=CC7=CC=C(C(=O)NO)C=C76)C=C5)N=N4)=C3C2=O)C(=O)N1", "label": -1}, "7370": {"pro_comp_id": 4610, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_486_lig_smina_out.mol2", "protac_path": "4610_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCOC3=CC=C(CN4C=CC5=CC=C(C(=O)NO)C=C54)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7371": {"pro_comp_id": 4611, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_486_lig_smina_out.mol2", "protac_path": "4611_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCOC3=CC=C(CN4C=CC5=CC=C(C(=O)NO)C=C54)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7372": {"pro_comp_id": 4612, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_486_lig_smina_out.mol2", "protac_path": "4612_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCOC3=CC=C(CN4C=CC5=CC=C(C(=O)NO)C=C54)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7373": {"pro_comp_id": 4613, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_486_lig_smina_out.mol2", "protac_path": "4613_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCOC3=CC=C(CN4C=CC5=CC=C(C(=O)NO)C=C54)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7374": {"pro_comp_id": 4614, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_486_lig_smina_out.mol2", "protac_path": "4614_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOC3=CC=C(CN4C=CC5=CC=C(C(=O)NO)C=C54)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7375": {"pro_comp_id": 4615, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_486_lig_smina_out.mol2", "protac_path": "4615_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOC3=CC=C(CN4C=CC5=CC=C(C(=O)NO)C=C54)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7376": {"pro_comp_id": 4616, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_486_lig_smina_out.mol2", "protac_path": "4616_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOC3=CC=C(CN4C=CC5=CC=C(C(=O)NO)C=C54)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7377": {"pro_comp_id": 4617, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_486_lig_smina_out.mol2", "protac_path": "4617_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOC3=CC=C(CN4C=CC5=CC=C(C(=O)NO)C=C54)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7378": {"pro_comp_id": 4618, "tar_path": "STAT3_P40763.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT3_P40763_487_lig_smina_out.mol2", "protac_path": "4618_protac.mol2", "smiles": "CC(=O)O[C@@H]1C[C@@H](O)[C@@]23CO[C@H](OC(=O)CCC(=O)N4CC(CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6)C4)[C@]1(C)[C@H]2C[C@@H](O)[C@]1(C)[C@H]3C(=O)[C@H](OC(C)=O)[C@@]2(C)[C@H](C3=COC=C3)C[C@@H]3O[C@@]312", "label": -1}, "7379": {"pro_comp_id": 4619, "tar_path": "STAT3_P40763.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT3_P40763_487_lig_smina_out.mol2", "protac_path": "4619_protac.mol2", "smiles": "CC(=O)O[C@@H]1C[C@@H](O)[C@@]23CO[C@H](OC(=O)CC(=O)N4CC(CNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C4)[C@]1(C)[C@H]2C[C@@H](O)[C@]1(C)[C@H]3C(=O)[C@H](OC(C)=O)[C@@]2(C)[C@H](C3=COC=C3)C[C@@H]3O[C@@]312", "label": -1}, "7380": {"pro_comp_id": 4620, "tar_path": "STAT3_P40763.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT3_P40763_487_lig_smina_out.mol2", "protac_path": "4620_protac.mol2", "smiles": "CC(=O)O[C@@H]1C[C@@H](O)[C@@]23CO[C@H](OC(=O)CCC(=O)N4CC(CN5CC(CNC6=CC=CC7=C6CN(C6CCC(=O)NC6=O)C7=O)C5)C4)[C@]1(C)[C@H]2C[C@@H](O)[C@]1(C)[C@H]3C(=O)[C@H](OC(C)=O)[C@@]2(C)[C@H](C3=COC=C3)C[C@@H]3O[C@@]312", "label": -1}, "7381": {"pro_comp_id": 4621, "tar_path": "STAT3_P40763.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT3_P40763_487_lig_smina_out.mol2", "protac_path": "4621_protac.mol2", "smiles": "CC(=O)O[C@@H]1C[C@@H](O)[C@@]23CO[C@H](OC(=O)CCC(=O)N4CCC(CNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C4)[C@]1(C)[C@H]2C[C@@H](O)[C@]1(C)[C@H]3C(=O)[C@H](OC(C)=O)[C@@]2(C)[C@H](C3=COC=C3)C[C@@H]3O[C@@]312", "label": -1}, "7382": {"pro_comp_id": 4622, "tar_path": "STAT3_P40763.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT3_P40763_487_lig_smina_out.mol2", "protac_path": "4622_protac.mol2", "smiles": "CC(=O)O[C@@H]1C[C@@H](O)[C@@]23CO[C@H](OC(=O)CCC(=O)N4CCC(CNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)CC4)[C@]1(C)[C@H]2C[C@@H](O)[C@]1(C)[C@H]3C(=O)[C@H](OC(C)=O)[C@@]2(C)[C@H](C3=COC=C3)C[C@@H]3O[C@@]312", "label": -1}, "7383": {"pro_comp_id": 4623, "tar_path": "STAT3_P40763.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "STAT3_P40763_487_lig_smina_out.mol2", "protac_path": "4623_protac.mol2", "smiles": "CC(=O)O[C@@H]1C[C@@H](O)[C@@]23CO[C@H](OC(=O)CCC(=O)NCCCCC4=CC=C5CN(C6CCC(=O)NC6=O)C(=O)C5=C4)[C@]1(C)[C@H]2C[C@@H](O)[C@]1(C)[C@H]3C(=O)[C@H](OC(C)=O)[C@@]2(C)[C@H](C3=COC=C3)C[C@@H]3O[C@@]312", "label": -1}, "7384": {"pro_comp_id": 4624, "tar_path": "PDGFR-beta_P09619.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PDGFRB_P09619_430_lig_smina_out.mol2", "protac_path": "4624_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCNC(=O)C3=CC(OC4=CC=C(NC(=O)NC5=CC=C(Cl)C(C(F)(F)F)=C5)C=C4)=CC=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7385": {"pro_comp_id": 4625, "tar_path": "PDGFR-beta_P09619.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "PDGFRB_P09619_430_lig_smina_out.mol2", "protac_path": "4625_protac.mol2", "smiles": "O=C1CCC(N2CC3=C(NC(=O)CCCNC(=O)C4=CC(OC5=CC=C(NC(=O)NC6=CC=C(Cl)C(C(F)(F)F)=C6)C=C5)=CC=N4)C=CC=C3C2=O)C(=O)N1", "label": -1}, "7386": {"pro_comp_id": 4626, "tar_path": "PDGFR-beta_P09619.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PDGFRB_P09619_430_lig_smina_out.mol2", "protac_path": "4626_protac.mol2", "smiles": "O=C(CNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCNC(=O)C1=CC(OC2=CC=C(NC(=O)NC3=CC=C(Cl)C(C(F)(F)F)=C3)C=C2)=CC=N1", "label": -1}, "7387": {"pro_comp_id": 4627, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_488_lig_smina_out.mol2", "protac_path": "4627_protac.mol2", "smiles": "CC(C)N1C=C(C2=CC=NC(NC[C@H](C)NC(=O)CCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=N2)C(C2=CC(Cl)=CC(NS(C)(=O)=O)=C2F)=N1", "label": -1}, "7388": {"pro_comp_id": 4628, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_488_lig_smina_out.mol2", "protac_path": "4628_protac.mol2", "smiles": "CC(C)N1C=C(C2=CC=NC(NC[C@H](C)NC(=O)CCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=N2)C(C2=CC(Cl)=CC(NS(C)(=O)=O)=C2F)=N1", "label": -1}, "7389": {"pro_comp_id": 4629, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_488_lig_smina_out.mol2", "protac_path": "4629_protac.mol2", "smiles": "CC(C)N1C=C(C2=CC=NC(NC[C@H](C)NC(=O)CCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=N2)C(C2=CC(Cl)=CC(NS(C)(=O)=O)=C2F)=N1", "label": -1}, "7390": {"pro_comp_id": 4630, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_488_lig_smina_out.mol2", "protac_path": "4630_protac.mol2", "smiles": "CC(C)N1C=C(C2=CC=NC(NC[C@H](C)NC(=O)CCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=N2)C(C2=CC(Cl)=CC(NS(C)(=O)=O)=C2F)=N1", "label": -1}, "7391": {"pro_comp_id": 4631, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_488_lig_smina_out.mol2", "protac_path": "4631_protac.mol2", "smiles": "CC(C)N1C=C(C2=CC=NC(NC[C@H](C)NC(=O)CCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=N2)C(C2=CC(Cl)=CC(NS(C)(=O)=O)=C2F)=N1", "label": -1}, "7392": {"pro_comp_id": 4632, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_488_lig_smina_out.mol2", "protac_path": "4632_protac.mol2", "smiles": "CC(C)N1C=C(C2=CC=NC(NC[C@H](C)NC(=O)CCOCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=N2)C(C2=CC(Cl)=CC(NS(C)(=O)=O)=C2F)=N1", "label": -1}, "7396": {"pro_comp_id": 4636, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_488_lig_smina_out.mol2", "protac_path": "4636_protac.mol2", "smiles": "CC(C)N1C=C(C2=CC=NC(NC[C@H](C)NC(=O)CCOCCOCCOCC(=O)NC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)=N2)C(C2=CC(Cl)=CC(NS(C)(=O)=O)=C2F)=N1", "label": -1}, "7397": {"pro_comp_id": 4637, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_488_lig_smina_out.mol2", "protac_path": "4637_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCC(=O)N[C@@H](C)CNC3=NC=CC(C4=CN(C(C)C)N=C4C4=CC(Cl)=CC(NS(C)(=O)=O)=C4F)=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7398": {"pro_comp_id": 4638, "tar_path": "KEAP1_Q14145.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "KEAP1_Q14145_489_lig_smina_out.mol2", "protac_path": "4638_protac.mol2", "smiles": "CC1=CC=C(C(CC(=O)O)C2=CC(OCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C3C(=C2)N=NN3C)C=C1CN1C[C@@H](C)OC2=CC=CC=C2S1(=O)=O", "label": -1}, "7399": {"pro_comp_id": 4639, "tar_path": "KEAP1_Q14145.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "KEAP1_Q14145_489_lig_smina_out.mol2", "protac_path": "4639_protac.mol2", "smiles": "CC1=CC=C(C(CC(=O)O)C2=CC(OCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C3C(=C2)N=NN3C)C=C1CN1C[C@@H](C)OC2=CC=CC=C2S1(=O)=O", "label": -1}, "7400": {"pro_comp_id": 4640, "tar_path": "KEAP1_Q14145.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "KEAP1_Q14145_489_lig_smina_out.mol2", "protac_path": "4640_protac.mol2", "smiles": "CC1=CC=C(C(CC(=O)O)C2=CC(OC(=O)CCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C3C(=C2)N=NN3C)C=C1CN1C[C@@H](C)OC2=CC=CC=C2S1(=O)=O", "label": -1}, "7401": {"pro_comp_id": 4641, "tar_path": "KEAP1_Q14145.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "KEAP1_Q14145_489_lig_smina_out.mol2", "protac_path": "4641_protac.mol2", "smiles": "CC1=CC=C(C(CC(=O)O)C2=CC(OCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C3C(=C2)N=NN3C)C=C1CN1C[C@@H](C)OC2=CC=CC=C2S1(=O)=O", "label": -1}, "7402": {"pro_comp_id": 4642, "tar_path": "KEAP1_Q14145.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "KEAP1_Q14145_489_lig_smina_out.mol2", "protac_path": "4642_protac.mol2", "smiles": "CC1=CC=C(C(CC(=O)O)C2=CC(OCCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C3C(=C2)N=NN3C)C=C1CN1C[C@@H](C)OC2=CC=CC=C2S1(=O)=O", "label": -1}, "7403": {"pro_comp_id": 4643, "tar_path": "KEAP1_Q14145.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "KEAP1_Q14145_489_lig_smina_out.mol2", "protac_path": "4643_protac.mol2", "smiles": "CC1=CC=C(C(CC(=O)O)C2=CC(OCCCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C3C(=C2)N=NN3C)C=C1CN1C[C@@H](C)OC2=CC=CC=C2S1(=O)=O", "label": -1}, "7404": {"pro_comp_id": 4644, "tar_path": "KEAP1_Q14145.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "KEAP1_Q14145_489_lig_smina_out.mol2", "protac_path": "4644_protac.mol2", "smiles": "CC1=CC=C(C(CC(=O)O)C2=CC(OCCCCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C3C(=C2)N=NN3C)C=C1CN1C[C@@H](C)OC2=CC=CC=C2S1(=O)=O", "label": -1}, "7405": {"pro_comp_id": 4645, "tar_path": "KEAP1_Q14145.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "KEAP1_Q14145_489_lig_smina_out.mol2", "protac_path": "4645_protac.mol2", "smiles": "CC1=CC=C(C(CC(=O)O)C2=CC(OCCCCCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C3C(=C2)N=NN3C)C=C1CN1C[C@@H](C)OC2=CC=CC=C2S1(=O)=O", "label": -1}, "7406": {"pro_comp_id": 4646, "tar_path": "KEAP1_Q14145.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "KEAP1_Q14145_489_lig_smina_out.mol2", "protac_path": "4646_protac.mol2", "smiles": "CC1=CC=C(C(CC(=O)O)C2=CC(OCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C3C(=C2)N=NN3C)C=C1CN1C[C@@H](C)OC2=CC=CC=C2S1(=O)=O", "label": -1}, "7407": {"pro_comp_id": 4647, "tar_path": "KEAP1_Q14145.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "KEAP1_Q14145_489_lig_smina_out.mol2", "protac_path": "4647_protac.mol2", "smiles": "CC1=CC=C(C(CC(=O)O)C2=CC(OCCOCCOCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C3C(=C2)N=NN3C)C=C1CN1C[C@@H](C)OC2=CC=CC=C2S1(=O)=O", "label": -1}, "7408": {"pro_comp_id": 4648, "tar_path": "KEAP1_Q14145.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "KEAP1_Q14145_489_lig_smina_out.mol2", "protac_path": "4648_protac.mol2", "smiles": "CC1=CC=C(C(CC(=O)O)C2=CC(OCCOCCOCNC(=O)CCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C3C(=C2)N=NN3C)C=C1CN1C[C@@H](C)OC2=CC=CC=C2S1(=O)=O", "label": -1}, "7409": {"pro_comp_id": 4649, "tar_path": "KEAP1_Q14145.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "KEAP1_Q14145_489_lig_smina_out.mol2", "protac_path": "4649_protac.mol2", "smiles": "CC1=CC=C(C(CC(=O)O)C2=CC(OCCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C3C(=C2)N=NN3C)C=C1CN1C[C@@H](C)OC2=CC=CC=C2S1(=O)=O", "label": -1}, "7410": {"pro_comp_id": 4650, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_264_lig_smina_out.mol2", "protac_path": "4650_protac.mol2", "smiles": "O=C(CCCCCCNC(=O)C1=CC=C(NC(=O)COCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)NO", "label": -1}, "7411": {"pro_comp_id": 4650, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_264_lig_smina_out.mol2", "protac_path": "4650_protac.mol2", "smiles": "O=C(CCCCCCNC(=O)C1=CC=C(NC(=O)COCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)NO", "label": -1}, "7412": {"pro_comp_id": 4651, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_264_lig_smina_out.mol2", "protac_path": "4651_protac.mol2", "smiles": "O=C(CCCCCCNC(=O)C1=CC=C(NC(=O)CCOCCOCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)NO", "label": -1}, "7413": {"pro_comp_id": 4651, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_264_lig_smina_out.mol2", "protac_path": "4651_protac.mol2", "smiles": "O=C(CCCCCCNC(=O)C1=CC=C(NC(=O)CCOCCOCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)NO", "label": -1}, "7414": {"pro_comp_id": 4652, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_264_lig_smina_out.mol2", "protac_path": "4652_protac.mol2", "smiles": "O=C(CCCCCCNC(=O)C1=CC=C(NC(=O)CCOCCOCCOCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)NO", "label": -1}, "7415": {"pro_comp_id": 4652, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_264_lig_smina_out.mol2", "protac_path": "4652_protac.mol2", "smiles": "O=C(CCCCCCNC(=O)C1=CC=C(NC(=O)CCOCCOCCOCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)NO", "label": -1}, "7416": {"pro_comp_id": 4653, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_264_lig_smina_out.mol2", "protac_path": "4653_protac.mol2", "smiles": "O=C(CCCCCCNC(=O)C1=CC=C(NC(=O)CCOCCOCCOCCOCCNC(=O)CNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)NO", "label": -1}, "7417": {"pro_comp_id": 4653, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_264_lig_smina_out.mol2", "protac_path": "4653_protac.mol2", "smiles": "O=C(CCCCCCNC(=O)C1=CC=C(NC(=O)CCOCCOCCOCCOCCNC(=O)CNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)NO", "label": -1}, "7418": {"pro_comp_id": 4655, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_264_lig_smina_out.mol2", "protac_path": "4655_protac.mol2", "smiles": "O=C(CCCCCCNC(=O)C1=CC=C(NC(=O)COCCOCCNC(=O)[C@H](CCCCNC(=O)C2=CC=C3C(=C2)C(=O)OC32C3=CC=C(O)C=C3OC3=CC(O)=CC=C32)NC(=O)COCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)NO", "label": -1}, "7419": {"pro_comp_id": 4655, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_264_lig_smina_out.mol2", "protac_path": "4655_protac.mol2", "smiles": "O=C(CCCCCCNC(=O)C1=CC=C(NC(=O)COCCOCCNC(=O)[C@H](CCCCNC(=O)C2=CC=C3C(=C2)C(=O)OC32C3=CC=C(O)C=C3OC3=CC(O)=CC=C32)NC(=O)COCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)NO", "label": -1}, "7420": {"pro_comp_id": 4656, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_490_lig_smina_out.mol2", "protac_path": "4656_protac.mol2", "smiles": "CC1=NC2=CC(NC(=O)CCOCCOCCOCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=CC=C2N1CC1=CC=C(C(=O)NO)C=C1F", "label": -1}, "7421": {"pro_comp_id": 4656, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_490_lig_smina_out.mol2", "protac_path": "4656_protac.mol2", "smiles": "CC1=NC2=CC(NC(=O)CCOCCOCCOCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=CC=C2N1CC1=CC=C(C(=O)NO)C=C1F", "label": -1}, "7422": {"pro_comp_id": 4657, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_490_lig_smina_out.mol2", "protac_path": "4657_protac.mol2", "smiles": "CC1=NC2=CC(NC(=O)CCOCCOCCOCCOCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=CC=C2N1CC1=CC=C(C(=O)NO)C=C1F", "label": -1}, "7423": {"pro_comp_id": 4657, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_490_lig_smina_out.mol2", "protac_path": "4657_protac.mol2", "smiles": "CC1=NC2=CC(NC(=O)CCOCCOCCOCCOCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=CC=C2N1CC1=CC=C(C(=O)NO)C=C1F", "label": -1}, "7424": {"pro_comp_id": 4658, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_490_lig_smina_out.mol2", "protac_path": "4658_protac.mol2", "smiles": "CC1=NC2=CC(NC(=O)CCOCCOCCOCCOCCNC(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=CC=C2N1CC1=CC=C(C(=O)NO)C=C1F", "label": -1}, "7425": {"pro_comp_id": 4658, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_490_lig_smina_out.mol2", "protac_path": "4658_protac.mol2", "smiles": "CC1=NC2=CC(NC(=O)CCOCCOCCOCCOCCNC(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=CC=C2N1CC1=CC=C(C(=O)NO)C=C1F", "label": -1}, "7426": {"pro_comp_id": 4659, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_490_lig_smina_out.mol2", "protac_path": "4659_protac.mol2", "smiles": "CC1=NC2=CC(NC(=O)CCCCCCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=CC=C2N1CC1=CC=C(C(=O)NO)C=C1F", "label": -1}, "7427": {"pro_comp_id": 4659, "tar_path": "HDAC1_Q13547.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HDAC1_Q13547_490_lig_smina_out.mol2", "protac_path": "4659_protac.mol2", "smiles": "CC1=NC2=CC(NC(=O)CCCCCCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=CC=C2N1CC1=CC=C(C(=O)NO)C=C1F", "label": -1}, "7428": {"pro_comp_id": 4660, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "4660_protac.mol2", "smiles": "COC1=CC2=C(N[C@H](C)C3=CC=CC=C3)N=C(C)N=C2C=C1OCC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "7429": {"pro_comp_id": 4661, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "4661_protac.mol2", "smiles": "COC1=CC2=C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)N=C(C)N=C2C=C1OCC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "7430": {"pro_comp_id": 4662, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "4662_protac.mol2", "smiles": "COC1=CC2=C(N[C@H](C)C3=CC=CC=C3)N=C(C)N=C2C=C1OCCCCC(=O)NCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "7431": {"pro_comp_id": 4663, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "4663_protac.mol2", "smiles": "COC1=CC2=C(N[C@H](C)C3=CC=CC(C(F)(F)F)=C3)N=C(C)N=C2C=C1OCCCCC(=O)NCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "7432": {"pro_comp_id": 4664, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "4664_protac.mol2", "smiles": "COC1=CC2=C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)N=C(C)N=C2C=C1OCCCCC(=O)NCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "7433": {"pro_comp_id": 4665, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "4665_protac.mol2", "smiles": "COC1=CC2=C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)N=C(C)N=C2C=C1OC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O", "label": -1}, "7434": {"pro_comp_id": 4666, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "4666_protac.mol2", "smiles": "COC1=CC2=C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)N=C(C)N=C2C=C1OCC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O", "label": -1}, "7435": {"pro_comp_id": 4667, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "4667_protac.mol2", "smiles": "COC1=CC2=C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)N=C(C)N=C2C=C1OCCCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)C1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C", "label": -1}, "7436": {"pro_comp_id": 4668, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "4668_protac.mol2", "smiles": "COC1=CC2=C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)N=C(C)N=C2C=C1OCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "7437": {"pro_comp_id": 4669, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "4669_protac.mol2", "smiles": "COC1=CC2=C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)N=C(C)N=C2C=C1OCCOCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "7438": {"pro_comp_id": 4670, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "4670_protac.mol2", "smiles": "COC1=CC2=C(N[C@H](C)C3=CC=CC=C3)N=CN=C2C=C1OCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "7439": {"pro_comp_id": 4671, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "4671_protac.mol2", "smiles": "COC1=CC2=C(N[C@H](C)C3=CC=CC(C(F)(F)F)=C3)N=CN=C2C=C1OCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "7440": {"pro_comp_id": 4672, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "4672_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC=CC(C(F)(F)F)=C3)=C2C=C1C1(O)CCN(C(=O)CCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "7441": {"pro_comp_id": 4673, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "4673_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC=CC(C(F)(F)F)=C3)=C2C=C1C1(O)CCN(C(=O)CNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "7442": {"pro_comp_id": 4674, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "4674_protac.mol2", "smiles": "COC1=CC2=C(N[C@H](C)C3=CC=CC=C3)N=C(C)N=C2C=C1OCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "7443": {"pro_comp_id": 4675, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "4675_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "7444": {"pro_comp_id": 4675, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "4675_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "7445": {"pro_comp_id": 4676, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "4676_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "7446": {"pro_comp_id": 4676, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "4676_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "7447": {"pro_comp_id": 4677, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "4677_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "7448": {"pro_comp_id": 4677, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "4677_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "7449": {"pro_comp_id": 4678, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "4678_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "7450": {"pro_comp_id": 4678, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "4678_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "7451": {"pro_comp_id": 4679, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "4679_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "7452": {"pro_comp_id": 4679, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "4679_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "7453": {"pro_comp_id": 4680, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "4680_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "7454": {"pro_comp_id": 4680, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "4680_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "7455": {"pro_comp_id": 4681, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "4681_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CCCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "7456": {"pro_comp_id": 4681, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "4681_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CCCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "7457": {"pro_comp_id": 4682, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "4682_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CCCCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "7458": {"pro_comp_id": 4682, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "4682_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CCCCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "7459": {"pro_comp_id": 4683, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "4683_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CCCCCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "7460": {"pro_comp_id": 4683, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "4683_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CCCCCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "7461": {"pro_comp_id": 4684, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_492_lig_smina_out.mol2", "protac_path": "4684_protac.mol2", "smiles": "CCCN1C(=O)C(C2=CC=C(C(=O)NCC3=CC=CN=C3)C=C2)=NC2=CC=C(NC(=O)CCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C=C21", "label": -1}, "7462": {"pro_comp_id": 4685, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_492_lig_smina_out.mol2", "protac_path": "4685_protac.mol2", "smiles": "CCCN1C(=O)C(C2=CC=C(C(=O)NCC3=CC=CN=C3)C=C2)=NC2=CC=C(NC(=O)CCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C=C21", "label": -1}, "7463": {"pro_comp_id": 4686, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_492_lig_smina_out.mol2", "protac_path": "4686_protac.mol2", "smiles": "CCCN1C(=O)C(C2=CC=C(C(=O)NCC3=CC=CN=C3)C=C2)=NC2=CC=C(NC(=O)CCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C=C21", "label": -1}, "7464": {"pro_comp_id": 4687, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_492_lig_smina_out.mol2", "protac_path": "4687_protac.mol2", "smiles": "CCCN1C(=O)C(C2=CC=C(C(=O)NCC3=CC=CN=C3)C=C2)=NC2=CC=C(NC(=O)CCCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C=C21", "label": -1}, "7465": {"pro_comp_id": 4688, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_492_lig_smina_out.mol2", "protac_path": "4688_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCN3C(=O)C(C4=CC=C(C(=O)NCC5=CC=CN=C5)C=C4)=NC4=CC=CC=C43)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7466": {"pro_comp_id": 4689, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_492_lig_smina_out.mol2", "protac_path": "4689_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCN3C(=O)C(C4=CC=C(C(=O)NCC5=CC=CN=C5)C=C4)=NC4=CC=CC=C43)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7467": {"pro_comp_id": 4690, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_492_lig_smina_out.mol2", "protac_path": "4690_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCN3C(=O)C(C4=CC=C(C(=O)NCC5=CC=CN=C5)C=C4)=NC4=CC=CC=C43)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7468": {"pro_comp_id": 4691, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_492_lig_smina_out.mol2", "protac_path": "4691_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCN3C(=O)C(C4=CC=C(C(=O)NCC5=CC=CN=C5)C=C4)=NC4=CC=CC=C43)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7469": {"pro_comp_id": 4692, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_492_lig_smina_out.mol2", "protac_path": "4692_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCN3C(=O)C(C4=CC=C(C(=O)NCC5=CC=CN=C5)C=C4)=NC4=CC=CC=C43)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7470": {"pro_comp_id": 4693, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_492_lig_smina_out.mol2", "protac_path": "4693_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCN3C(=O)C(C4=CC=C(C(=O)NCC5=CC=CN=C5)C=C4)=NC4=CC=CC=C43)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7472": {"pro_comp_id": 4695, "tar_path": "mTOR_P42345.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "mTOR_P42345_493_lig_smina_out.mol2", "protac_path": "4695_protac.mol2", "smiles": "NC1=NC2=CC(C3=NN(CC4=CN(CCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)=CC=C2O1", "label": -1}, "7473": {"pro_comp_id": 4696, "tar_path": "mTOR_P42345.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "mTOR_P42345_493_lig_smina_out.mol2", "protac_path": "4696_protac.mol2", "smiles": "NC1=NC2=CC(C3=NN(CCOCCOCCC(=O)NCCCCCC(=O)NC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=NC=NC(N)=C34)=CC=C2O1", "label": -1}, "7474": {"pro_comp_id": 4697, "tar_path": "mTOR_P42345.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "mTOR_P42345_493_lig_smina_out.mol2", "protac_path": "4697_protac.mol2", "smiles": "NC1=NC2=CC(C3=NN(CCCCNC(=O)CCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=NC=NC(N)=C34)=CC=C2O1", "label": -1}, "7475": {"pro_comp_id": 4698, "tar_path": "PAK1_Q13153.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PAK1_Q13153_253_lig_smina_out.mol2", "protac_path": "4698_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCC(=O)N4CC[C@@H](NC5=NC6=CC(F)=CC=C6N(CC(F)F)C6=CC=C(Cl)C=C56)C4)=C3C2=O)C(=O)N1", "label": -1}, "7478": {"pro_comp_id": 4699, "tar_path": "PAK1_Q13153.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PAK1_Q13153_253_lig_smina_out.mol2", "protac_path": "4699_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCC(=O)N4CC[C@H](NC5=NC6=CC(F)=CC=C6N(CC(F)F)C6=CC=C(Cl)C=C56)C4)=C3C2=O)C(=O)N1", "label": -1}, "7481": {"pro_comp_id": 4700, "tar_path": "PAK1_Q13153.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PAK1_Q13153_253_lig_smina_out.mol2", "protac_path": "4700_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCC(=O)N1CC[C@H](NC2=NC3=CC(F)=CC=C3N(CC(F)F)C3=CC=C(Cl)C=C23)C1", "label": -1}, "7484": {"pro_comp_id": 4701, "tar_path": "PAK1_Q13153.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PAK1_Q13153_253_lig_smina_out.mol2", "protac_path": "4701_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCC(=O)N4CC[C@H](NC5=NC6=CC(F)=CC=C6N(CC(F)F)C6=CC=C(Cl)C=C56)C4)=C3C2=O)C(=O)N1", "label": -1}, "7487": {"pro_comp_id": 4702, "tar_path": "PAK1_Q13153.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PAK1_Q13153_253_lig_smina_out.mol2", "protac_path": "4702_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCNC(=O)N4CC[C@@H](NC5=NC6=CC(F)=CC=C6N(CC(F)F)C6=CC=C(Cl)C=C56)C4)=C3C2=O)C(=O)N1", "label": -1}, "7490": {"pro_comp_id": 4703, "tar_path": "PAK1_Q13153.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PAK1_Q13153_253_lig_smina_out.mol2", "protac_path": "4703_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOCCNC(=O)N4CC[C@H](NC5=NC6=CC(F)=CC=C6N(CC(F)F)C6=CC=C(Cl)C=C56)C4)=C3C2=O)C(=O)N1", "label": -1}, "7493": {"pro_comp_id": 4704, "tar_path": "PAK1_Q13153.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PAK1_Q13153_253_lig_smina_out.mol2", "protac_path": "4704_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCNC(=O)N4CC[C@H](NC5=NC6=CC(F)=CC=C6N(CC(F)F)C6=CC=C(Cl)C=C56)C4)=C3C2=O)C(=O)N1", "label": -1}, "7496": {"pro_comp_id": 4705, "tar_path": "PAK1_Q13153.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PAK1_Q13153_253_lig_smina_out.mol2", "protac_path": "4705_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCCNC(=O)N4CC[C@H](NC5=NC6=CC(F)=CC=C6N(CC(F)F)C6=CC=C(Cl)C=C56)C4)=C3C2=O)C(=O)N1", "label": -1}, "7499": {"pro_comp_id": 4706, "tar_path": "PAK1_Q13153.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PAK1_Q13153_253_lig_smina_out.mol2", "protac_path": "4706_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCNC(=O)N3CC[C@H](NC4=NC5=CC(F)=CC=C5N(CC(F)F)C5=CC=C(Cl)C=C45)C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7502": {"pro_comp_id": 4707, "tar_path": "PAK1_Q13153.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PAK1_Q13153_253_lig_smina_out.mol2", "protac_path": "4707_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCNC(=O)N3CC[C@H](NC4=NC5=CC(F)=CC=C5N(CC(F)F)C5=CC=C(Cl)C=C45)C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7505": {"pro_comp_id": 4708, "tar_path": "PAK1_Q13153.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PAK1_Q13153_494_lig_smina_out.mol2", "protac_path": "4708_protac.mol2", "smiles": "CC1=CC=C(CO)C=C1N(CC1=CC=CC=C1C#N)C1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C(S(C)(=O)=O)=C2)=NC=C1F", "label": -1}, "7508": {"pro_comp_id": 4709, "tar_path": "PAK1_Q13153.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PAK1_Q13153_494_lig_smina_out.mol2", "protac_path": "4709_protac.mol2", "smiles": "CC1=CC=C(CO)C=C1N(CC1=CC=CC=C1C#N)C1=NC(NC2=CC=C(N3CCN(C(=O)CCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C(S(C)(=O)=O)=C2)=NC=C1F", "label": -1}, "7511": {"pro_comp_id": 4710, "tar_path": "PAK1_Q13153.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PAK1_Q13153_494_lig_smina_out.mol2", "protac_path": "4710_protac.mol2", "smiles": "CC1=CC=C(CO)C=C1N(CC1=CC=CC=C1C#N)C1=NC(NC2=CC=C(N3CCN(CCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C(S(C)(=O)=O)=C2)=NC=C1F", "label": -1}, "7514": {"pro_comp_id": 4711, "tar_path": "TYK2_P29597.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "TYK2_P29597_495_lig_smina_out.mol2", "protac_path": "4711_protac.mol2", "smiles": "CNC(=O)C1=CN=C(NC2=CC=C(C(=O)NCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C=N2)C=C1NC1=CC=CC(C(=O)NC)=C1OC", "label": -1}, "7515": {"pro_comp_id": 4712, "tar_path": "TYK2_P29597.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "TYK2_P29597_495_lig_smina_out.mol2", "protac_path": "4712_protac.mol2", "smiles": "CNC(=O)C1=CN=C(NC2=CC=C(C(=O)NCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C=N2)C=C1NC1=CC=CC(C(=O)NC)=C1OC", "label": -1}, "7516": {"pro_comp_id": 4713, "tar_path": "TYK2_P29597.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "TYK2_P29597_495_lig_smina_out.mol2", "protac_path": "4713_protac.mol2", "smiles": "CNC(=O)C1=CN=C(NC2=CC=C(C(=O)NCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C=N2)C=C1NC1=CC=CC(C(=O)NC)=C1OC", "label": -1}, "7517": {"pro_comp_id": 4714, "tar_path": "TYK2_P29597.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "TYK2_P29597_495_lig_smina_out.mol2", "protac_path": "4714_protac.mol2", "smiles": "CNC(=O)C1=CN=C(NC2=CC=C(C(=O)NCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C=N2)C=C1NC1=CC=CC(C(=O)NC)=C1OC", "label": -1}, "7518": {"pro_comp_id": 4715, "tar_path": "TYK2_P29597.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "TYK2_P29597_495_lig_smina_out.mol2", "protac_path": "4715_protac.mol2", "smiles": "CNC(=O)C1=CN=C(NC2=CC=C(C(=O)NCCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C=N2)C=C1NC1=CC=CC(C(=O)NC)=C1OC", "label": -1}, "7519": {"pro_comp_id": 4716, "tar_path": "TYK2_P29597.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "TYK2_P29597_495_lig_smina_out.mol2", "protac_path": "4716_protac.mol2", "smiles": "CNC(=O)C1=CN=C(NC2=CC=C(C(=O)NCCCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C=N2)C=C1NC1=CC=CC(C(=O)NC)=C1OC", "label": -1}, "7520": {"pro_comp_id": 4717, "tar_path": "TYK2_P29597.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "TYK2_P29597_495_lig_smina_out.mol2", "protac_path": "4717_protac.mol2", "smiles": "CNC(=O)C1=CN=C(NC2=CC=C(C(=O)NCCCCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C=N2)C=C1NC1=CC=CC(C(=O)NC)=C1OC", "label": -1}, "7521": {"pro_comp_id": 4718, "tar_path": "TYK2_P29597.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "TYK2_P29597_495_lig_smina_out.mol2", "protac_path": "4718_protac.mol2", "smiles": "CNC(=O)C1=CC=CC(NC2=CC(NC3=CC=C(C(=O)NCCCCCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=N3)=NC=C2C(N)=O)=C1OC", "label": -1}, "7522": {"pro_comp_id": 4718, "tar_path": "JAK1_P23458.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "JAK1_P23458_495_lig_smina_out.mol2", "protac_path": "4718_protac.mol2", "smiles": "CNC(=O)C1=CC=CC(NC2=CC(NC3=CC=C(C(=O)NCCCCCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=N3)=NC=C2C(N)=O)=C1OC", "label": -1}, "7523": {"pro_comp_id": 4719, "tar_path": "TYK2_P29597.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "TYK2_P29597_495_lig_smina_out.mol2", "protac_path": "4719_protac.mol2", "smiles": "CNC(=O)C1=CN=C(NC2=CC=C(C(=O)NCCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C=N2)C=C1NC1=CC=CC(C2=NN(C)C=N2)=C1OC", "label": -1}, "7524": {"pro_comp_id": 4719, "tar_path": "JAK1_P23458.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "JAK1_P23458_495_lig_smina_out.mol2", "protac_path": "4719_protac.mol2", "smiles": "CNC(=O)C1=CN=C(NC2=CC=C(C(=O)NCCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C=N2)C=C1NC1=CC=CC(C2=NN(C)C=N2)=C1OC", "label": -1}, "7525": {"pro_comp_id": 4720, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4720_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(OCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7526": {"pro_comp_id": 4721, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4721_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(OCCOCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7527": {"pro_comp_id": 4722, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4722_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(OCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7528": {"pro_comp_id": 4723, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4723_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(OCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7529": {"pro_comp_id": 4724, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4724_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(OCCOCCOCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7530": {"pro_comp_id": 4725, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4725_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(OCCOCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7531": {"pro_comp_id": 4726, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4726_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(OCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7532": {"pro_comp_id": 4727, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4727_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(OCCCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7533": {"pro_comp_id": 4728, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4728_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(OCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7534": {"pro_comp_id": 4729, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4729_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(OCCCCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7535": {"pro_comp_id": 4730, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4730_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(OC2CCN(C(=O)CCOCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7536": {"pro_comp_id": 4731, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4731_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(OC2CCN(C(=O)CCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7537": {"pro_comp_id": 4732, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4732_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(OC2CCN(C(=O)CCOCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7538": {"pro_comp_id": 4733, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4733_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(OC2CCN(C(=O)CCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7539": {"pro_comp_id": 4734, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4734_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(OC2CCN(C(=O)CCOCCOCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7540": {"pro_comp_id": 4735, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4735_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(Cl)C(OCCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7541": {"pro_comp_id": 4736, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4736_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(Cl)C(OCCCCCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7542": {"pro_comp_id": 4737, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4737_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(Cl)C(OCCOCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7543": {"pro_comp_id": 4738, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4738_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(Cl)C(OCCOCCOCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7544": {"pro_comp_id": 4739, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4739_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(OC2CCN(C(=O)CCOCCOCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7545": {"pro_comp_id": 4740, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4740_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(Cl)C(OCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7546": {"pro_comp_id": 4741, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4741_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(Cl)C(OCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7547": {"pro_comp_id": 4742, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4742_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(Cl)C(OCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7548": {"pro_comp_id": 4743, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4743_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(Cl)C(OCCOCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7549": {"pro_comp_id": 4744, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4744_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(Cl)C(OCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7550": {"pro_comp_id": 4745, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4745_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(Cl)C(OCCCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7551": {"pro_comp_id": 4746, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4746_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOC3=CC=C(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7552": {"pro_comp_id": 4747, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4747_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCOC3=CC=C(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7553": {"pro_comp_id": 4748, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4748_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCOCCOC3=CC=C(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)C=C3)=C2)SC=N1", "label": -1}, "7554": {"pro_comp_id": 4749, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4749_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCOCCOCCOC3=CC=C(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)C=C3)=C2)SC=N1", "label": -1}, "7555": {"pro_comp_id": 4750, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4750_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCCCOC3=CC=C(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)C=C3)=C2)SC=N1", "label": -1}, "7556": {"pro_comp_id": 4751, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4751_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCCCCCCOC3=CC=C(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)C=C3)=C2)SC=N1", "label": -1}, "7557": {"pro_comp_id": 4752, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4752_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(OC2CN(C(=O)CCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7558": {"pro_comp_id": 4753, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4753_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(OC2CN(C(=O)CCOCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7559": {"pro_comp_id": 4754, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4754_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(OC2CN(C(=O)CCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7560": {"pro_comp_id": 4755, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4755_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(OC2CN(C(=O)CCOCCOCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7561": {"pro_comp_id": 4756, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4756_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOC3=CC(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)=CC=C3Cl)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7562": {"pro_comp_id": 4757, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4757_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCOC3=CC(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)=CC=C3Cl)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7563": {"pro_comp_id": 4758, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4758_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCOCCOC3=CC(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)=CC=C3Cl)=C2)SC=N1", "label": -1}, "7564": {"pro_comp_id": 4759, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4759_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCOCCOCCOC3=CC(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)=CC=C3Cl)=C2)SC=N1", "label": -1}, "7565": {"pro_comp_id": 4760, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4760_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(Cl)C(OCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7566": {"pro_comp_id": 4761, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4761_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(Cl)C(OCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7567": {"pro_comp_id": 4762, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4762_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCCOC3=CC(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)=CC=C3Cl)=C2)SC=N1", "label": -1}, "7568": {"pro_comp_id": 4763, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4763_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCCCCCOC3=CC(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)=CC=C3Cl)=C2)SC=N1", "label": -1}, "7569": {"pro_comp_id": 4764, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4764_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCCCCCCCCOC3=CC(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)=CC=C3Cl)=C2)SC=N1", "label": -1}, "7570": {"pro_comp_id": 4765, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4765_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCOCCC(=O)N3CC(OC4=CC=C(NC(=O)[C@H](C)[C@H]5CC[C@@H](C6=CC=NC7=CC=C(F)C=C76)CC5)C=C4)C3)=C2)SC=N1", "label": -1}, "7571": {"pro_comp_id": 4766, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4766_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCOCCOCCC(=O)N3CC(OC4=CC=C(NC(=O)[C@H](C)[C@H]5CC[C@@H](C6=CC=NC7=CC=C(F)C=C76)CC5)C=C4)C3)=C2)SC=N1", "label": -1}, "7572": {"pro_comp_id": 4767, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4767_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCOCCC(=O)N3CCC(OC4=CC=C(NC(=O)[C@H](C)[C@H]5CC[C@@H](C6=CC=NC7=CC=C(F)C=C76)CC5)C=C4)CC3)=C2)SC=N1", "label": -1}, "7573": {"pro_comp_id": 4768, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4768_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCOCCOCCC(=O)N3CCC(OC4=CC=C(NC(=O)[C@H](C)[C@H]5CC[C@@H](C6=CC=NC7=CC=C(F)C=C76)CC5)C=C4)CC3)=C2)SC=N1", "label": -1}, "7574": {"pro_comp_id": 4769, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4769_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCCOC3=CC(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)=CC=C3Cl)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7575": {"pro_comp_id": 4770, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4770_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCCCCCOC3=CC(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)=CC=C3Cl)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7576": {"pro_comp_id": 4771, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4771_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCCCCCCCCOC3=CC(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)=CC=C3Cl)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7577": {"pro_comp_id": 4772, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4772_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(Cl)C(OCCCCCCCCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7578": {"pro_comp_id": 4773, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4773_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(OC2CN(C(=O)CCOCCOCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7579": {"pro_comp_id": 4774, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4774_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(OCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7580": {"pro_comp_id": 4775, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4775_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(OCCOCCOCCOCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7581": {"pro_comp_id": 4776, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4776_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCOCCOC3=CC=C(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7582": {"pro_comp_id": 4777, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4777_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(OCCOCCOCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7583": {"pro_comp_id": 4778, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4778_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCOCCOCCOCCOC3=CC=C(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)C=C3)=C2)SC=N1", "label": -1}, "7584": {"pro_comp_id": 4779, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4779_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(OCCCCCCCCCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7585": {"pro_comp_id": 4780, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4780_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(OCCCCCCCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7586": {"pro_comp_id": 4781, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4781_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(OC2CN(CCCOCCOCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7587": {"pro_comp_id": 4782, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4782_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(Cl)C(OCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7588": {"pro_comp_id": 4783, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4783_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(Cl)C(OCCOCCOCCOCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7589": {"pro_comp_id": 4784, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4784_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCOCCOC3=CC(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)=CC=C3Cl)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7590": {"pro_comp_id": 4785, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4785_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(Cl)C(OCCOCCOCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7591": {"pro_comp_id": 4786, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4786_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCOCCOCCOCCOC3=CC(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)=CC=C3Cl)=C2)SC=N1", "label": -1}, "7592": {"pro_comp_id": 4787, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4787_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(Cl)C(OCCOCCOCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7593": {"pro_comp_id": 4788, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4788_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(Cl)C(OCCOCCOCCOCCOCCOCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7594": {"pro_comp_id": 4789, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4789_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCOCCOCCOCCOC3=CC(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)=CC=C3Cl)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7595": {"pro_comp_id": 4790, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4790_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(Cl)C(OCCOCCOCCOCCOCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7596": {"pro_comp_id": 4791, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4791_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCOCCOCCOCCOCCOCCOC3=CC(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)=CC=C3Cl)=C2)SC=N1", "label": -1}, "7597": {"pro_comp_id": 4792, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4792_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCCCCCCCCCOC3=CC=C(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)C=C3)=C2)SC=N1", "label": -1}, "7598": {"pro_comp_id": 4793, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4793_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(OC2CN(C(=O)CCOCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7601": {"pro_comp_id": 4796, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4796_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(OC2CCN(CCCOCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7602": {"pro_comp_id": 4797, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4797_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(OC2CCN(CCCOCCOCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7603": {"pro_comp_id": 4798, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4798_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(Cl)C(OCCCCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7604": {"pro_comp_id": 4799, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4799_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(Cl)C(OCCCCCCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7605": {"pro_comp_id": 4800, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4800_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCCCOC3=CC=C(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7606": {"pro_comp_id": 4801, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4801_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCCCCCCOC3=CC=C(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7607": {"pro_comp_id": 4802, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4802_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(OCCCCCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7608": {"pro_comp_id": 4803, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4803_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(OCCOCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7609": {"pro_comp_id": 4804, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4804_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(OCCOCCOCCOCCOCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7610": {"pro_comp_id": 4805, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4805_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCOCCOCCOC3=CC=C(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7611": {"pro_comp_id": 4806, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4806_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(OCCOCCOCCOCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7612": {"pro_comp_id": 4807, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4807_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCOCCOCCOCCOCCOC3=CC=C(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)C=C3)=C2)SC=N1", "label": -1}, "7613": {"pro_comp_id": 4808, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4808_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(OCCOCCOCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7614": {"pro_comp_id": 4809, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4809_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(OCCOCCOCCOCCOCCOCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7615": {"pro_comp_id": 4810, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4810_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCOCCOCCOCCOC3=CC=CC(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7616": {"pro_comp_id": 4811, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4811_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(OCCOCCOCCOCCOCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7617": {"pro_comp_id": 4812, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4812_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCOCCOCCOCCOCCOCCOC3=CC=C(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)C=C3)=C2)SC=N1", "label": -1}, "7618": {"pro_comp_id": 4813, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4813_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(OC2CCN(CCCOCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7619": {"pro_comp_id": 4814, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4814_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCOCCCN3CCC(OC4=CC=C(NC(=O)[C@H](C)[C@H]5CC[C@@H](C6=CC=NC7=CC=C(F)C=C76)CC5)C=C4)CC3)=C2)SC=N1", "label": -1}, "7620": {"pro_comp_id": 4815, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4815_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(OC2CCN(CCCOCCOCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7621": {"pro_comp_id": 4816, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4816_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCOCCOCCCN3CCC(OC4=CC=C(NC(=O)[C@H](C)[C@H]5CC[C@@H](C6=CC=NC7=CC=C(F)C=C76)CC5)C=C4)CC3)=C2)SC=N1", "label": -1}, "7622": {"pro_comp_id": 4817, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4817_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(Cl)C(OCCOCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7623": {"pro_comp_id": 4818, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4818_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(Cl)C(OCCOCCOCCOCCOCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7624": {"pro_comp_id": 4819, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4819_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCOCCOCCOC3=CC(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)=CC=C3Cl)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7625": {"pro_comp_id": 4820, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4820_protac.mol2", "smiles": "C[C@@H](C(=O)NC1=CC=C(Cl)C(OCCOCCOCCOCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1", "label": -1}, "7626": {"pro_comp_id": 4821, "tar_path": "IDO1_P14902.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "IDO1_P14902_496_lig_smina_out.mol2", "protac_path": "4821_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCOCCOCCOCCOCCOC3=CC(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)=CC=C3Cl)=C2)SC=N1", "label": -1}, "7627": {"pro_comp_id": 4822, "tar_path": "XIAP_P98170.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "XIAP_P98170_497_lig_smina_out.mol2", "protac_path": "4822_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C", "label": -1}, "7628": {"pro_comp_id": 4822, "tar_path": "cIAP1_Q13490.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "cIAP1_Q13490_497_lig_smina_out.mol2", "protac_path": "4822_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C", "label": -1}, "7629": {"pro_comp_id": 4822, "tar_path": "cIAP2_Q13489.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "cIAP2_Q13489_497_lig_smina_out.mol2", "protac_path": "4822_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C", "label": -1}, "7630": {"pro_comp_id": 4823, "tar_path": "XIAP_P98170.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "XIAP_P98170_497_lig_smina_out.mol2", "protac_path": "4823_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C", "label": -1}, "7631": {"pro_comp_id": 4823, "tar_path": "cIAP1_Q13490.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "cIAP1_Q13490_497_lig_smina_out.mol2", "protac_path": "4823_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C", "label": -1}, "7632": {"pro_comp_id": 4823, "tar_path": "cIAP2_Q13489.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "cIAP2_Q13489_497_lig_smina_out.mol2", "protac_path": "4823_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C", "label": -1}, "7633": {"pro_comp_id": 4824, "tar_path": "XIAP_P98170.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "XIAP_P98170_497_lig_smina_out.mol2", "protac_path": "4824_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCNC(=O)C3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C", "label": -1}, "7634": {"pro_comp_id": 4824, "tar_path": "cIAP1_Q13490.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "cIAP1_Q13490_497_lig_smina_out.mol2", "protac_path": "4824_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCNC(=O)C3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C", "label": -1}, "7635": {"pro_comp_id": 4824, "tar_path": "cIAP2_Q13489.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "cIAP2_Q13489_497_lig_smina_out.mol2", "protac_path": "4824_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCNC(=O)C3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C", "label": -1}, "7636": {"pro_comp_id": 4825, "tar_path": "XIAP_P98170.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "XIAP_P98170_497_lig_smina_out.mol2", "protac_path": "4825_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCNC(=O)C3CCN(C4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C", "label": -1}, "7637": {"pro_comp_id": 4825, "tar_path": "cIAP1_Q13490.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "cIAP1_Q13490_497_lig_smina_out.mol2", "protac_path": "4825_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCNC(=O)C3CCN(C4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C", "label": -1}, "7638": {"pro_comp_id": 4825, "tar_path": "cIAP2_Q13489.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "cIAP2_Q13489_497_lig_smina_out.mol2", "protac_path": "4825_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCNC(=O)C3CCN(C4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C", "label": -1}, "7639": {"pro_comp_id": 4826, "tar_path": "XIAP_P98170.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "XIAP_P98170_497_lig_smina_out.mol2", "protac_path": "4826_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCNC(=O)C3CN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C", "label": -1}, "7640": {"pro_comp_id": 4826, "tar_path": "cIAP1_Q13490.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "cIAP1_Q13490_497_lig_smina_out.mol2", "protac_path": "4826_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCNC(=O)C3CN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C", "label": -1}, "7641": {"pro_comp_id": 4826, "tar_path": "cIAP2_Q13489.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "cIAP2_Q13489_497_lig_smina_out.mol2", "protac_path": "4826_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCNC(=O)C3CN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C", "label": -1}, "7642": {"pro_comp_id": 4827, "tar_path": "XIAP_P98170.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "XIAP_P98170_497_lig_smina_out.mol2", "protac_path": "4827_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCNC(=O)CNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C", "label": -1}, "7643": {"pro_comp_id": 4827, "tar_path": "cIAP1_Q13490.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "cIAP1_Q13490_497_lig_smina_out.mol2", "protac_path": "4827_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCNC(=O)CNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C", "label": -1}, "7644": {"pro_comp_id": 4827, "tar_path": "cIAP2_Q13489.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "cIAP2_Q13489_497_lig_smina_out.mol2", "protac_path": "4827_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCNC(=O)CNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C", "label": -1}, "7645": {"pro_comp_id": 4828, "tar_path": "XIAP_P98170.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "XIAP_P98170_497_lig_smina_out.mol2", "protac_path": "4828_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCNC(=O)COC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C", "label": -1}, "7646": {"pro_comp_id": 4828, "tar_path": "cIAP1_Q13490.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "cIAP1_Q13490_497_lig_smina_out.mol2", "protac_path": "4828_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCNC(=O)COC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C", "label": -1}, "7647": {"pro_comp_id": 4828, "tar_path": "cIAP2_Q13489.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "cIAP2_Q13489_497_lig_smina_out.mol2", "protac_path": "4828_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCNC(=O)COC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C", "label": -1}, "7648": {"pro_comp_id": 4829, "tar_path": "XIAP_P98170.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "XIAP_P98170_497_lig_smina_out.mol2", "protac_path": "4829_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCNC(=O)C3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C", "label": -1}, "7649": {"pro_comp_id": 4829, "tar_path": "cIAP1_Q13490.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "cIAP1_Q13490_497_lig_smina_out.mol2", "protac_path": "4829_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCNC(=O)C3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C", "label": -1}, "7650": {"pro_comp_id": 4829, "tar_path": "cIAP2_Q13489.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "cIAP2_Q13489_497_lig_smina_out.mol2", "protac_path": "4829_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCNC(=O)C3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C", "label": -1}, "7651": {"pro_comp_id": 4830, "tar_path": "XIAP_P98170.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "XIAP_P98170_497_lig_smina_out.mol2", "protac_path": "4830_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCOCCNC(=O)C3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C", "label": -1}, "7652": {"pro_comp_id": 4830, "tar_path": "cIAP1_Q13490.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "cIAP1_Q13490_497_lig_smina_out.mol2", "protac_path": "4830_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCOCCNC(=O)C3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C", "label": -1}, "7653": {"pro_comp_id": 4830, "tar_path": "cIAP2_Q13489.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "cIAP2_Q13489_497_lig_smina_out.mol2", "protac_path": "4830_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCOCCNC(=O)C3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C", "label": -1}, "7654": {"pro_comp_id": 4831, "tar_path": "XIAP_P98170.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "XIAP_P98170_497_lig_smina_out.mol2", "protac_path": "4831_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCCCCNC(=O)C3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C", "label": -1}, "7655": {"pro_comp_id": 4831, "tar_path": "cIAP1_Q13490.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "cIAP1_Q13490_497_lig_smina_out.mol2", "protac_path": "4831_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCCCCNC(=O)C3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C", "label": -1}, "7656": {"pro_comp_id": 4831, "tar_path": "cIAP2_Q13489.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "cIAP2_Q13489_497_lig_smina_out.mol2", "protac_path": "4831_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCCCCNC(=O)C3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C", "label": -1}, "7657": {"pro_comp_id": 4832, "tar_path": "XIAP_P98170.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "XIAP_P98170_497_lig_smina_out.mol2", "protac_path": "4832_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCCCCNC(=O)C3CN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C", "label": -1}, "7658": {"pro_comp_id": 4832, "tar_path": "cIAP1_Q13490.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "cIAP1_Q13490_497_lig_smina_out.mol2", "protac_path": "4832_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCCCCNC(=O)C3CN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C", "label": -1}, "7659": {"pro_comp_id": 4832, "tar_path": "cIAP2_Q13489.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "cIAP2_Q13489_497_lig_smina_out.mol2", "protac_path": "4832_protac.mol2", "smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCCCCNC(=O)C3CN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C", "label": -1}, "7660": {"pro_comp_id": 4833, "tar_path": "MAFF_Q9ULX9.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MAFF_Q9ULX9_498_lig_smina_out.mol2", "protac_path": "4833_protac.mol2", "smiles": "C=C1CC[C@H]2[C@@H](/C=C(\\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)C3[C@H]1OCC1=CN(CCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N1)C2(C)C", "label": -1}, "7661": {"pro_comp_id": 4834, "tar_path": "MAFF_Q9ULX9.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MAFF_Q9ULX9_498_lig_smina_out.mol2", "protac_path": "4834_protac.mol2", "smiles": "C=C1CC[C@H]2[C@@H](/C=C(\\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)C3[C@H]1OCC1=CN(CCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N1)C2(C)C", "label": -1}, "7662": {"pro_comp_id": 4835, "tar_path": "MAFF_Q9ULX9.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MAFF_Q9ULX9_498_lig_smina_out.mol2", "protac_path": "4835_protac.mol2", "smiles": "C=C1CC[C@H]2[C@@H](/C=C(\\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)C3[C@H]1OCC1=CN(CCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N1)C2(C)C", "label": -1}, "7663": {"pro_comp_id": 4836, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_499_lig_smina_out.mol2", "protac_path": "4836_protac.mol2", "smiles": "CN1CCN([C@@H]2CCCN(C3=CN=C(C(N)=O)C(NC4=CC=C(C5CCN(C[C@H]6CCN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)C6)CC5)C=C4)=N3)C2)C1=O", "label": -1}, "7664": {"pro_comp_id": 4836, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_499_lig_smina_out.mol2", "protac_path": "4836_protac.mol2", "smiles": "CN1CCN([C@@H]2CCCN(C3=CN=C(C(N)=O)C(NC4=CC=C(C5CCN(C[C@H]6CCN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)C6)CC5)C=C4)=N3)C2)C1=O", "label": -1}, "7665": {"pro_comp_id": 4836, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_Q06187_499_lig_smina_out.mol2", "protac_path": "4836_protac.mol2", "smiles": "CN1CCN([C@@H]2CCCN(C3=CN=C(C(N)=O)C(NC4=CC=C(C5CCN(C[C@H]6CCN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)C6)CC5)C=C4)=N3)C2)C1=O", "label": -1}, "7666": {"pro_comp_id": 4837, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_348_lig_smina_out.mol2", "protac_path": "4837_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](C3=CC(N4CCC(CN5CCC(O[C@H]6C[C@H](OC7=CC(N8C9CCC8CN(C8=CC(C%10=CC=CC=C%10O)=NN=C8N)C9)=CC=N7)C6)CC5)CC4)=NO3)C(C)C)C=C2)SC=N1", "label": -1}, "7668": {"pro_comp_id": 4837, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_348_lig_smina_out.mol2", "protac_path": "4837_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](C3=CC(N4CCC(CN5CCC(O[C@H]6C[C@H](OC7=CC(N8C9CCC8CN(C8=CC(C%10=CC=CC=C%10O)=NN=C8N)C9)=CC=N7)C6)CC5)CC4)=NO3)C(C)C)C=C2)SC=N1", "label": -1}, "7674": {"pro_comp_id": 4842, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "FLT3_P36888_162_lig_smina_out.mol2", "protac_path": "4842_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCNC(=O)C3=C(C)[NH]C(/C=C4\\C(=O)NC5=CC=C(F)C=C45)=C3C)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7675": {"pro_comp_id": 4843, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "FLT3_P36888_162_lig_smina_out.mol2", "protac_path": "4843_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCNC(=O)C3=C(C)[NH]C(/C=C4\\C(=O)NC5=CC=C(F)C=C45)=C3C)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7676": {"pro_comp_id": 4844, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "FLT3_P36888_162_lig_smina_out.mol2", "protac_path": "4844_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCNC(=O)C3=C(C)[NH]C(/C=C4\\C(=O)NC5=CC=C(F)C=C45)=C3C)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7677": {"pro_comp_id": 4845, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "FLT3_P36888_162_lig_smina_out.mol2", "protac_path": "4845_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCNC(=O)C3=C(C)[NH]C(/C=C4\\C(=O)NC5=CC=C(F)C=C45)=C3C)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7678": {"pro_comp_id": 4846, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "FLT3_P36888_162_lig_smina_out.mol2", "protac_path": "4846_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCNC(=O)C3=C(C)[NH]C(/C=C4\\C(=O)NC5=CC=C(F)C=C45)=C3C)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7679": {"pro_comp_id": 4847, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "FLT3_P36888_162_lig_smina_out.mol2", "protac_path": "4847_protac.mol2", "smiles": "CCN(CCNC(=O)C1=C(C)[NH]C(/C=C2\\C(=O)NC3=CC=C(F)C=C23)=C1C)CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C", "label": -1}, "7680": {"pro_comp_id": 4848, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "FLT3_P36888_162_lig_smina_out.mol2", "protac_path": "4848_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CN3CCN(C(=O)C4=C(C)[NH]C(/C=C5\\C(=O)NC6=CC=C(F)C=C56)=C4C)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7681": {"pro_comp_id": 4849, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "FLT3_P36888_162_lig_smina_out.mol2", "protac_path": "4849_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCC(=O)NC3=C(C)[NH]C(/C=C4\\C(=O)NC5=CC=C(F)C=C45)=C3C)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7682": {"pro_comp_id": 4850, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "FLT3_P36888_162_lig_smina_out.mol2", "protac_path": "4850_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCC(=O)NC3=C(C)[NH]C(/C=C4\\C(=O)NC5=CC=C(F)C=C45)=C3C)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7683": {"pro_comp_id": 4851, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "FLT3_P36888_162_lig_smina_out.mol2", "protac_path": "4851_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CNCC(=O)NC3=C(C)[NH]C(/C=C4\\C(=O)NC5=CC=C(F)C=C45)=C3C)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7684": {"pro_comp_id": 4852, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "FLT3_P36888_162_lig_smina_out.mol2", "protac_path": "4852_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCC(=O)NC3=C(C)[NH]C(/C=C4\\C(=O)NC5=CC=C(F)C=C45)=C3C)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7685": {"pro_comp_id": 4853, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "FLT3_P36888_162_lig_smina_out.mol2", "protac_path": "4853_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C3=C(C)[NH]C(/C=C4\\C(=O)NC5=CC=C(F)C=C45)=C3C)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7686": {"pro_comp_id": 4854, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4854_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7687": {"pro_comp_id": 4854, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4854_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7688": {"pro_comp_id": 4854, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "4854_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7689": {"pro_comp_id": 4854, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "4854_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7690": {"pro_comp_id": 4854, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "4854_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7691": {"pro_comp_id": 4854, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "4854_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7692": {"pro_comp_id": 4855, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4855_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC(=O)NCC(=O)NCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7693": {"pro_comp_id": 4855, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4855_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC(=O)NCC(=O)NCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7694": {"pro_comp_id": 4855, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "4855_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC(=O)NCC(=O)NCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7695": {"pro_comp_id": 4855, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "4855_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC(=O)NCC(=O)NCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7696": {"pro_comp_id": 4855, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "4855_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC(=O)NCC(=O)NCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7697": {"pro_comp_id": 4855, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "4855_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC(=O)NCC(=O)NCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7698": {"pro_comp_id": 4856, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4856_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7699": {"pro_comp_id": 4856, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4856_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7700": {"pro_comp_id": 4856, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "4856_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7701": {"pro_comp_id": 4856, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "4856_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7702": {"pro_comp_id": 4856, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "4856_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7703": {"pro_comp_id": 4856, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "4856_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7704": {"pro_comp_id": 4857, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4857_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCOCCOCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7705": {"pro_comp_id": 4857, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4857_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCOCCOCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7706": {"pro_comp_id": 4857, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "4857_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCOCCOCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7707": {"pro_comp_id": 4857, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "4857_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCOCCOCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7708": {"pro_comp_id": 4857, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "4857_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCOCCOCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7709": {"pro_comp_id": 4857, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "4857_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCOCCOCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7710": {"pro_comp_id": 4858, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4858_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCOCCOCCOCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7711": {"pro_comp_id": 4858, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4858_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCOCCOCCOCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7712": {"pro_comp_id": 4858, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "4858_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCOCCOCCOCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7713": {"pro_comp_id": 4858, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "4858_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCOCCOCCOCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7714": {"pro_comp_id": 4858, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "4858_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCOCCOCCOCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7715": {"pro_comp_id": 4858, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "4858_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCOCCOCCOCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7716": {"pro_comp_id": 4859, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4859_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCOCCOCCOCCOCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7717": {"pro_comp_id": 4859, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4859_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCOCCOCCOCCOCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7718": {"pro_comp_id": 4859, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "4859_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCOCCOCCOCCOCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7719": {"pro_comp_id": 4859, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "4859_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCOCCOCCOCCOCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7720": {"pro_comp_id": 4859, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "4859_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCOCCOCCOCCOCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7721": {"pro_comp_id": 4859, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "4859_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCOCCOCCOCCOCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7722": {"pro_comp_id": 4860, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4860_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCC(=O)NCCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7723": {"pro_comp_id": 4860, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4860_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCC(=O)NCCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7724": {"pro_comp_id": 4860, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "4860_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCC(=O)NCCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7725": {"pro_comp_id": 4860, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "4860_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCC(=O)NCCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7726": {"pro_comp_id": 4860, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "4860_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCC(=O)NCCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7727": {"pro_comp_id": 4860, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "4860_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCC(=O)NCCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7728": {"pro_comp_id": 4861, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4861_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCC(=O)NCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7729": {"pro_comp_id": 4861, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4861_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCC(=O)NCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7730": {"pro_comp_id": 4861, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "4861_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCC(=O)NCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7731": {"pro_comp_id": 4861, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "4861_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCC(=O)NCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7732": {"pro_comp_id": 4861, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "4861_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCC(=O)NCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7733": {"pro_comp_id": 4861, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "4861_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCC(=O)NCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7734": {"pro_comp_id": 4862, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4862_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC(=O)NCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7735": {"pro_comp_id": 4862, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4862_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC(=O)NCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7736": {"pro_comp_id": 4862, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "4862_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC(=O)NCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7737": {"pro_comp_id": 4862, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "4862_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC(=O)NCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7738": {"pro_comp_id": 4862, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "4862_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC(=O)NCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7739": {"pro_comp_id": 4862, "tar_path": "BRD3_Q15059.pdb", "e3_ligase_path": "KLHL20_Q9Y2M5.pdb", "e3_lig_path": "KLHL20_Q9Y2M5_94_lig_smina_out.mol2", "war_path": "BRD3_Q15059_18_lig_smina_out.mol2", "protac_path": "4862_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC(=O)NCC(=O)NC1CSCC3=CC=CC(=C3)CSCC(C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7740": {"pro_comp_id": 4863, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4863_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)N(C)CC(=O)NCCCOC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7741": {"pro_comp_id": 4864, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4864_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)N(C)CC(=O)NCCCCOC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7742": {"pro_comp_id": 4865, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4865_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)N(C)CC(=O)NCCCCCOC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7743": {"pro_comp_id": 4866, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4866_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)N(C)CC(=O)NCCOCCOC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7744": {"pro_comp_id": 4867, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4867_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)N(C)CC(=O)NCCOCCOCCOC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7745": {"pro_comp_id": 4868, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4868_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC(=O)NCCCOC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7746": {"pro_comp_id": 4869, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4869_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC(=O)NCCCCOC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7747": {"pro_comp_id": 4870, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4870_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC(=O)NCCCCCOC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7748": {"pro_comp_id": 4871, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4871_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC(=O)NCCOCCOC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7749": {"pro_comp_id": 4872, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4872_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC(=O)NCCOCCOCCOC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7750": {"pro_comp_id": 4873, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4873_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)N1CCN(CC(=O)NCCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7751": {"pro_comp_id": 4874, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4874_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)N1CCN(CC(=O)NCCCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7752": {"pro_comp_id": 4875, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4875_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)N1CCN(CC(=O)NCCCCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7753": {"pro_comp_id": 4876, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4876_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)N1CCN(CC(=O)NCCOCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7754": {"pro_comp_id": 4877, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4877_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)N1CCN(CC(=O)NCCOCCOCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7755": {"pro_comp_id": 4878, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4878_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)OCC(=O)NCCCCOC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7756": {"pro_comp_id": 4879, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4879_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CNC(=O)CN(C)C(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7757": {"pro_comp_id": 4880, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4880_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CNC(=O)CN3CCN(C(=O)C[C@@H]4N=C(C5=CC=C(Cl)C=C5)C5=C(SC(C)=C5C)N5C(C)=NN=C45)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7758": {"pro_comp_id": 4881, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4881_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCNC(=O)CN3CCN(C(=O)C[C@@H]4N=C(C5=CC=C(Cl)C=C5)C5=C(SC(C)=C5C)N5C(C)=NN=C45)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7759": {"pro_comp_id": 4882, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "NAMPT_P43490_415_lig_smina_out.mol2", "protac_path": "4882_protac.mol2", "smiles": "O=C(/C=C/C1=CC=CN=C1)NCCCCC1CCN(C(=O)C2=CC=C(N3CCN(C(=O)CCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)CC1", "label": -1}, "7760": {"pro_comp_id": 4883, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "NAMPT_P43490_415_lig_smina_out.mol2", "protac_path": "4883_protac.mol2", "smiles": "O=C(/C=C/C1=CC=CN=C1)NCCCCC1CCN(C(=O)C2=CC=C(N3CCN(C(=O)CCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)CC1", "label": -1}, "7761": {"pro_comp_id": 4884, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "NAMPT_P43490_415_lig_smina_out.mol2", "protac_path": "4884_protac.mol2", "smiles": "O=C(/C=C/C1=CC=CN=C1)NCCCCC1CCN(C(=O)C2=CC=C(N3CCN(C(=O)CCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)CC1", "label": -1}, "7762": {"pro_comp_id": 4885, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "NAMPT_P43490_415_lig_smina_out.mol2", "protac_path": "4885_protac.mol2", "smiles": "O=C(/C=C/C1=CC=CN=C1)NCCCCC1CCN(C(=O)C2=CC=C(N3CCN(C(=O)CCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)CC1", "label": -1}, "7763": {"pro_comp_id": 4886, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "NAMPT_P43490_415_lig_smina_out.mol2", "protac_path": "4886_protac.mol2", "smiles": "O=C(/C=C/C1=CC=CN=C1)NCCCCC1CCN(C(=O)C2=CC=C(N3CCN(C(=O)CCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)CC1", "label": -1}, "7764": {"pro_comp_id": 4887, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "NAMPT_P43490_415_lig_smina_out.mol2", "protac_path": "4887_protac.mol2", "smiles": "O=C(/C=C/C1=CC=CN=C1)NCCCCC1CCN(C(=O)C2=CC=C(N3CCN(C(=O)CCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)CC1", "label": -1}, "7765": {"pro_comp_id": 4888, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "NAMPT_P43490_415_lig_smina_out.mol2", "protac_path": "4888_protac.mol2", "smiles": "O=C(/C=C/C1=CC=CN=C1)NCCCCC1CCN(C(=O)C2=CC=C(N3CCN(C(=O)CNC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)CC1", "label": -1}, "7766": {"pro_comp_id": 4889, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "NAMPT_P43490_415_lig_smina_out.mol2", "protac_path": "4889_protac.mol2", "smiles": "O=C(/C=C/C1=CC=CN=C1)NCCCCC1CCN(C(=O)C2=CC=C(N3CCN(C(=O)CCCNC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)CC1", "label": -1}, "7767": {"pro_comp_id": 4890, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "NAMPT_P43490_415_lig_smina_out.mol2", "protac_path": "4890_protac.mol2", "smiles": "O=C(/C=C/C1=CC=CN=C1)NCCCCC1CCN(C(=O)C2=CC=C(N3CCN(C(=O)CCCCCNC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)CC1", "label": -1}, "7768": {"pro_comp_id": 4891, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "NAMPT_P43490_415_lig_smina_out.mol2", "protac_path": "4891_protac.mol2", "smiles": "O=C(/C=C/C1=CC=CN=C1)NCCCCC1CCN(C(=O)C2=CC=C(N3CCN(C(=O)CCCCCCNC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)CC1", "label": -1}, "7769": {"pro_comp_id": 4892, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "NAMPT_P43490_415_lig_smina_out.mol2", "protac_path": "4892_protac.mol2", "smiles": "O=C(/C=C/C1=CC=CN=C1)NCCCCC1CCN(C(=O)C2=CC=C(N3CCN(CCCCCC#CC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)CC1", "label": -1}, "7770": {"pro_comp_id": 4893, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "NAMPT_P43490_415_lig_smina_out.mol2", "protac_path": "4893_protac.mol2", "smiles": "O=C(/C=C/C1=CC=CN=C1)NCCCCC1CCN(C(=O)C2=CC=C(N3CCN(CCCCCCC#CC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)CC1", "label": -1}, "7771": {"pro_comp_id": 4894, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MDM2_Q00987_500_lig_smina_out.mol2", "protac_path": "4894_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCC(=O)N3CCN(S(=O)(=O)C[C@@H](N4C(=O)[C@@](C)(CC(=O)O)C[C@H](C5=CC=CC(Cl)=C5)[C@H]4C4=CC=C(Cl)C=C4)C(C)(C)C)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7772": {"pro_comp_id": 4895, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MDM2_Q00987_500_lig_smina_out.mol2", "protac_path": "4895_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCC(=O)N3CCN(S(=O)(=O)C[C@@H](N4C(=O)[C@@](C)(CC(=O)O)C[C@H](C5=CC=CC(Cl)=C5)[C@H]4C4=CC=C(Cl)C=C4)C(C)(C)C)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7773": {"pro_comp_id": 4896, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MDM2_Q00987_500_lig_smina_out.mol2", "protac_path": "4896_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCC(=O)N3CCN(S(=O)(=O)C[C@@H](N4C(=O)[C@@](C)(CC(=O)O)C[C@H](C5=CC=CC(Cl)=C5)[C@H]4C4=CC=C(Cl)C=C4)C(C)(C)C)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7774": {"pro_comp_id": 4897, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MDM2_Q00987_500_lig_smina_out.mol2", "protac_path": "4897_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCC(=O)N3CCN(S(=O)(=O)C[C@@H](N4C(=O)[C@@](C)(CC(=O)O)C[C@H](C5=CC=CC(Cl)=C5)[C@H]4C4=CC=C(Cl)C=C4)C(C)(C)C)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7775": {"pro_comp_id": 4898, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MDM2_Q00987_500_lig_smina_out.mol2", "protac_path": "4898_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCC(=O)N3CCN(S(=O)(=O)C[C@@H](N4C(=O)[C@@](C)(CC(=O)O)C[C@H](C5=CC=CC(Cl)=C5)[C@H]4C4=CC=C(Cl)C=C4)C(C)(C)C)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7776": {"pro_comp_id": 4899, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MDM2_Q00987_500_lig_smina_out.mol2", "protac_path": "4899_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCC(=O)N3CCN(S(=O)(=O)C[C@@H](N4C(=O)[C@@](C)(CC(=O)O)C[C@H](C5=CC=CC(Cl)=C5)[C@H]4C4=CC=C(Cl)C=C4)C(C)(C)C)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7777": {"pro_comp_id": 4900, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MDM2_Q00987_500_lig_smina_out.mol2", "protac_path": "4900_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCC(=O)N3CCN(S(=O)(=O)C[C@@H](N4C(=O)[C@@](C)(CC(=O)O)C[C@H](C5=CC=CC(Cl)=C5)[C@H]4C4=CC=C(Cl)C=C4)C(C)(C)C)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7778": {"pro_comp_id": 4901, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MDM2_Q00987_500_lig_smina_out.mol2", "protac_path": "4901_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCC(=O)N3CCN(S(=O)(=O)C[C@@H](N4C(=O)[C@@](C)(CC(=O)O)C[C@H](C5=CC=CC(Cl)=C5)[C@H]4C4=CC=C(Cl)C=C4)C(C)(C)C)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7779": {"pro_comp_id": 4902, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MDM2_Q00987_500_lig_smina_out.mol2", "protac_path": "4902_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCC(=O)N3CCN(S(=O)(=O)C[C@@H](N4C(=O)[C@@](C)(CC(=O)O)C[C@H](C5=CC=CC(Cl)=C5)[C@H]4C4=CC=C(Cl)C=C4)C(C)(C)C)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7780": {"pro_comp_id": 4903, "tar_path": "MDM2_Q00987.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "MDM2_Q00987_500_lig_smina_out.mol2", "protac_path": "4903_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCC(=O)N3CCN(S(=O)(=O)C[C@@H](N4C(=O)[C@@](C)(CC(=O)O)C[C@H](C5=CC=CC(Cl)=C5)[C@H]4C4=CC=C(Cl)C=C4)C(C)(C)C)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7781": {"pro_comp_id": 4904, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "MDM2_Q00987.pdb", "e3_lig_path": "MDM2_Q00987_46_lig_smina_out.mol2", "war_path": "PARP1_P09874_21_lig_smina_out.mol2", "protac_path": "4904_protac.mol2", "smiles": "COC1=CC=C(C2=N[C@@H](C3=CC=C(Cl)C=C3)[C@@H](C3=CC=C(Cl)C=C3)N2C(=O)N2CCN(CC(=O)NCCOCCOCCOCCC(=O)N3CCC[C@@H](C4=CC=C(N5C=C6C=CC=C(C(N)=O)C6=N5)C=C4)C3)C(=O)C2)C(OC(C)C)=C1", "label": -1}, "7825": {"pro_comp_id": 4938, "tar_path": "AIMP2_Q13155.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AIMP2_Q13155_501_lig_smina_out.mol2", "protac_path": "4938_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(OCCOCCOCC4=CN(CC5=CC=C(S(=O)(=O)N[C@@H](CC6=C[NH]C7=CC=CC=C67)C(=O)NC6=CC=C(N7CCOCC7)C=C6)C=C5)N=N4)=C3C2=O)C(=O)N1", "label": -1}, "7826": {"pro_comp_id": 4939, "tar_path": "AIMP2_Q13155.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AIMP2_Q13155_501_lig_smina_out.mol2", "protac_path": "4939_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(OCCOCCOCCOCC4=CN(CC5=CC=C(S(=O)(=O)N[C@@H](CC6=C[NH]C7=CC=CC=C67)C(=O)NC6=CC=C(N7CCOCC7)C=C6)C=C5)N=N4)=C3C2=O)C(=O)N1", "label": -1}, "7827": {"pro_comp_id": 4940, "tar_path": "AIMP2_Q13155.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AIMP2_Q13155_501_lig_smina_out.mol2", "protac_path": "4940_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(OCCOCCOCCOCCOCC4=CN(CC5=CC=C(S(=O)(=O)N[C@@H](CC6=C[NH]C7=CC=CC=C67)C(=O)NC6=CC=C(N7CCOCC7)C=C6)C=C5)N=N4)=C3C2=O)C(=O)N1", "label": -1}, "7828": {"pro_comp_id": 4941, "tar_path": "AIMP2_Q13155.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AIMP2_Q13155_501_lig_smina_out.mol2", "protac_path": "4941_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(OCCOCCOCCOCCOCCOCC4=CN(CC5=CC=C(S(=O)(=O)N[C@@H](CC6=C[NH]C7=CC=CC=C67)C(=O)NC6=CC=C(N7CCOCC7)C=C6)C=C5)N=N4)=C3C2=O)C(=O)N1", "label": -1}, "7829": {"pro_comp_id": 4942, "tar_path": "AIMP2_Q13155.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AIMP2_Q13155_501_lig_smina_out.mol2", "protac_path": "4942_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CCOCC4=CN(CC5=CC=C(S(=O)(=O)N[C@@H](CC6=C[NH]C7=CC=CC=C67)C(=O)NC6=CC=C(N7CCOCC7)C=C6)C=C5)N=N4)=C3C2=O)C(=O)N1", "label": -1}, "7830": {"pro_comp_id": 4943, "tar_path": "AIMP2_Q13155.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AIMP2_Q13155_501_lig_smina_out.mol2", "protac_path": "4943_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CCOCCOCC4=CN(CC5=CC=C(S(=O)(=O)N[C@@H](CC6=C[NH]C7=CC=CC=C67)C(=O)NC6=CC=C(N7CCOCC7)C=C6)C=C5)N=N4)=C3C2=O)C(=O)N1", "label": -1}, "7831": {"pro_comp_id": 4944, "tar_path": "AIMP2_Q13155.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AIMP2_Q13155_501_lig_smina_out.mol2", "protac_path": "4944_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CCOCCOCCOCC4=CN(CC5=CC=C(S(=O)(=O)N[C@@H](CC6=C[NH]C7=CC=CC=C67)C(=O)NC6=CC=C(N7CCOCC7)C=C6)C=C5)N=N4)=C3C2=O)C(=O)N1", "label": -1}, "7832": {"pro_comp_id": 4945, "tar_path": "AIMP2_Q13155.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AIMP2_Q13155_501_lig_smina_out.mol2", "protac_path": "4945_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CCOCCOCCOCCOCC4=CN(CC5=CC=C(S(=O)(=O)N[C@@H](CC6=C[NH]C7=CC=CC=C67)C(=O)NC6=CC=C(N7CCOCC7)C=C6)C=C5)N=N4)=C3C2=O)C(=O)N1", "label": -1}, "7833": {"pro_comp_id": 4946, "tar_path": "AIMP2_Q13155.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AIMP2_Q13155_501_lig_smina_out.mol2", "protac_path": "4946_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CCOCCOCCOCCOCCOCC4=CN(CC5=CC=C(S(=O)(=O)N[C@@H](CC6=C[NH]C7=CC=CC=C67)C(=O)NC6=CC=C(N7CCOCC7)C=C6)C=C5)N=N4)=C3C2=O)C(=O)N1", "label": -1}, "7834": {"pro_comp_id": 4947, "tar_path": "AIMP2_Q13155.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AIMP2_Q13155_501_lig_smina_out.mol2", "protac_path": "4947_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CCOCCOCCOCCOCCOCCOCC4=CN(CC5=CC=C(S(=O)(=O)N[C@@H](CC6=C[NH]C7=CC=CC=C67)C(=O)NC6=CC=C(N7CCOCC7)C=C6)C=C5)N=N4)=C3C2=O)C(=O)N1", "label": -1}, "7835": {"pro_comp_id": 4948, "tar_path": "AIMP2_Q13155.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AIMP2_Q13155_501_lig_smina_out.mol2", "protac_path": "4948_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCNC(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)NC2=CC=C(N3CCOCC3)C=C2)C=C1", "label": -1}, "7836": {"pro_comp_id": 4949, "tar_path": "AIMP2_Q13155.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AIMP2_Q13155_501_lig_smina_out.mol2", "protac_path": "4949_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOCCOCCNC(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)NC2=CC=C(N3CCOCC3)C=C2)C=C1", "label": -1}, "7837": {"pro_comp_id": 4950, "tar_path": "AIMP2_Q13155.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AIMP2_Q13155_501_lig_smina_out.mol2", "protac_path": "4950_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)COCCNC(=O)C4=CC=C(S(=O)(=O)N[C@@H](CC5=C[NH]C6=CC=CC=C56)C(=O)NC5=CC=C(N6CCOCC6)C=C5)C=C4)=C3C2=O)C(=O)N1", "label": -1}, "7838": {"pro_comp_id": 4951, "tar_path": "AIMP2_Q13155.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AIMP2_Q13155_501_lig_smina_out.mol2", "protac_path": "4951_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)COCCOCCNC(=O)C4=CC=C(S(=O)(=O)N[C@@H](CC5=C[NH]C6=CC=CC=C56)C(=O)NC5=CC=C(N6CCOCC6)C=C5)C=C4)=C3C2=O)C(=O)N1", "label": -1}, "7839": {"pro_comp_id": 4952, "tar_path": "AIMP2_Q13155.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AIMP2_Q13155_501_lig_smina_out.mol2", "protac_path": "4952_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)COCCOCCOCCNC(=O)C4=CC=C(S(=O)(=O)N[C@@H](CC5=C[NH]C6=CC=CC=C56)C(=O)NC5=CC=C(N6CCOCC6)C=C5)C=C4)=C3C2=O)C(=O)N1", "label": -1}, "7840": {"pro_comp_id": 4953, "tar_path": "AIMP2_Q13155.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AIMP2_Q13155_501_lig_smina_out.mol2", "protac_path": "4953_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)COCCOCCOCCOCCOCCNC(=O)C4=CC=C(S(=O)(=O)N[C@@H](CC5=C[NH]C6=CC=CC=C56)C(=O)NC5=CC=C(N6CCOCC6)C=C5)C=C4)=C3C2=O)C(=O)N1", "label": -1}, "7841": {"pro_comp_id": 4954, "tar_path": "AIMP2_Q13155.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AIMP2_Q13155_501_lig_smina_out.mol2", "protac_path": "4954_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCNC(=O)C4=CC=C(S(=O)(=O)N[C@@H](CC5=C[NH]C6=CC=CC=C56)C(=O)NC5=CC=C(N6CCOCC6)C=C5)C=C4)=C3C2=O)C(=O)N1", "label": -1}, "7842": {"pro_comp_id": 4955, "tar_path": "AIMP2_Q13155.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AIMP2_Q13155_501_lig_smina_out.mol2", "protac_path": "4955_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCNC(=O)C4=CC=C(S(=O)(=O)N[C@@H](CC5=C[NH]C6=CC=CC=C56)C(=O)NC5=CC=C(N6CCOCC6)C=C5)C=C4)=C3C2=O)C(=O)N1", "label": -1}, "7843": {"pro_comp_id": 4956, "tar_path": "AIMP2_Q13155.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AIMP2_Q13155_501_lig_smina_out.mol2", "protac_path": "4956_protac.mol2", "smiles": "O=C(CCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCC1=CC=C(S(=O)(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)NC2=CC=C(N3CCOCC3)C=C2)C=C1", "label": -1}, "7844": {"pro_comp_id": 4957, "tar_path": "AIMP2_Q13155.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AIMP2_Q13155_501_lig_smina_out.mol2", "protac_path": "4957_protac.mol2", "smiles": "O=C(CCCCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCC1=CC=C(S(=O)(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)NC2=CC=C(N3CCOCC3)C=C2)C=C1", "label": -1}, "7845": {"pro_comp_id": 4958, "tar_path": "AIMP2_Q13155.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AIMP2_Q13155_501_lig_smina_out.mol2", "protac_path": "4958_protac.mol2", "smiles": "O=C(CCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCC1=CC=C(S(=O)(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)NC2=CC=C(N3CCOCC3)C=C2)C=C1", "label": -1}, "7846": {"pro_comp_id": 4959, "tar_path": "AIMP2_Q13155.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AIMP2_Q13155_501_lig_smina_out.mol2", "protac_path": "4959_protac.mol2", "smiles": "O=C(CCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCC1=CC=C(S(=O)(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)NC2=CC=C(N3CCOCC3)C=C2)C=C1", "label": -1}, "7847": {"pro_comp_id": 4960, "tar_path": "AIMP2_Q13155.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AIMP2_Q13155_501_lig_smina_out.mol2", "protac_path": "4960_protac.mol2", "smiles": "O=C(CCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCC1=CC=C(S(=O)(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)NC2=CC=C(N3CCOCC3)C=C2)C=C1", "label": -1}, "7848": {"pro_comp_id": 4961, "tar_path": "AIMP2_Q13155.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AIMP2_Q13155_501_lig_smina_out.mol2", "protac_path": "4961_protac.mol2", "smiles": "CC1=CC=C(S(=O)(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)NC2=CC=C(N3CCN(C(=O)CCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)C=C1", "label": -1}, "7849": {"pro_comp_id": 4962, "tar_path": "AIMP2_Q13155.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AIMP2_Q13155_501_lig_smina_out.mol2", "protac_path": "4962_protac.mol2", "smiles": "CC1=CC=C(S(=O)(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)NC2=CC=C(N3CCN(C(=O)CCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)C=C1", "label": -1}, "7850": {"pro_comp_id": 4963, "tar_path": "AIMP2_Q13155.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AIMP2_Q13155_501_lig_smina_out.mol2", "protac_path": "4963_protac.mol2", "smiles": "CC1=CC=C(S(=O)(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)NC2=CC=C(N3CCN(C(=O)CCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)C=C1", "label": -1}, "7851": {"pro_comp_id": 4964, "tar_path": "AIMP2_Q13155.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AIMP2_Q13155_501_lig_smina_out.mol2", "protac_path": "4964_protac.mol2", "smiles": "CC1=CC=C(S(=O)(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)NC2=CC=C(N3CCN(C(=O)CCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)C=C1", "label": -1}, "7852": {"pro_comp_id": 4965, "tar_path": "AIMP2_Q13155.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AIMP2_Q13155_501_lig_smina_out.mol2", "protac_path": "4965_protac.mol2", "smiles": "CC1=CC=C(S(=O)(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)NC2=CC=C(N3CCN(C(=O)CCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)C=C1", "label": -1}, "7853": {"pro_comp_id": 4966, "tar_path": "AIMP2_Q13155.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AIMP2_Q13155_501_lig_smina_out.mol2", "protac_path": "4966_protac.mol2", "smiles": "CC1=CC=C(S(=O)(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)NC2=CC=C(N3CCN(CCC(=O)NC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)C=C1", "label": -1}, "7854": {"pro_comp_id": 4967, "tar_path": "AIMP2_Q13155.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AIMP2_Q13155_501_lig_smina_out.mol2", "protac_path": "4967_protac.mol2", "smiles": "CC1=CC=C(S(=O)(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)NC2=CC=C(N3CCN(CCCC(=O)NC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)C=C1", "label": -1}, "7855": {"pro_comp_id": 4968, "tar_path": "AIMP2_Q13155.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AIMP2_Q13155_501_lig_smina_out.mol2", "protac_path": "4968_protac.mol2", "smiles": "CC1=CC=C(S(=O)(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)NC2=CC=C(N3CCN(CCCCC(=O)NC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)C=C1", "label": -1}, "7856": {"pro_comp_id": 4969, "tar_path": "AIMP2_Q13155.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AIMP2_Q13155_501_lig_smina_out.mol2", "protac_path": "4969_protac.mol2", "smiles": "CC1=CC=C(S(=O)(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)NC2=CC=C(N3CCN(CCCCCC(=O)NC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)C=C1", "label": -1}, "7857": {"pro_comp_id": 4970, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_C481Y_Q06187_502_lig_smina_out.mol2", "protac_path": "4970_protac.mol2", "smiles": "CC1=CC=CC(C)=C1NC1=NN(C)C2=NC(NC3=CC=C4CCN(CC5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4=C3)=NC=C12", "label": -1}, "7858": {"pro_comp_id": 4970, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_C481Y_Q06187_502_lig_smina_out.mol2", "protac_path": "4970_protac.mol2", "smiles": "CC1=CC=CC(C)=C1NC1=NN(C)C2=NC(NC3=CC=C4CCN(CC5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4=C3)=NC=C12", "label": -1}, "7859": {"pro_comp_id": 4970, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_C481Y_Q06187_502_lig_smina_out.mol2", "protac_path": "4970_protac.mol2", "smiles": "CC1=CC=CC(C)=C1NC1=NN(C)C2=NC(NC3=CC=C4CCN(CC5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4=C3)=NC=C12", "label": -1}, "7860": {"pro_comp_id": 4970, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_C481Y_Q06187_502_lig_smina_out.mol2", "protac_path": "4970_protac.mol2", "smiles": "CC1=CC=CC(C)=C1NC1=NN(C)C2=NC(NC3=CC=C4CCN(CC5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4=C3)=NC=C12", "label": -1}, "7861": {"pro_comp_id": 4970, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_C481Y_Q06187_502_lig_smina_out.mol2", "protac_path": "4970_protac.mol2", "smiles": "CC1=CC=CC(C)=C1NC1=NN(C)C2=NC(NC3=CC=C4CCN(CC5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4=C3)=NC=C12", "label": -1}, "7862": {"pro_comp_id": 4970, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_C481Y_Q06187_502_lig_smina_out.mol2", "protac_path": "4970_protac.mol2", "smiles": "CC1=CC=CC(C)=C1NC1=NN(C)C2=NC(NC3=CC=C4CCN(CC5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4=C3)=NC=C12", "label": -1}, "7863": {"pro_comp_id": 4970, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_C481Y_Q06187_502_lig_smina_out.mol2", "protac_path": "4970_protac.mol2", "smiles": "CC1=CC=CC(C)=C1NC1=NN(C)C2=NC(NC3=CC=C4CCN(CC5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4=C3)=NC=C12", "label": -1}, "7864": {"pro_comp_id": 4970, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BTK_C481Y_Q06187_502_lig_smina_out.mol2", "protac_path": "4970_protac.mol2", "smiles": "CC1=CC=CC(C)=C1NC1=NN(C)C2=NC(NC3=CC=C4CCN(CC5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4=C3)=NC=C12", "label": -1}, "7865": {"pro_comp_id": 4971, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_BD2_O60885_503_lig_smina_out.mol2", "protac_path": "4971_protac.mol2", "smiles": "CC1=CC=C(C(C)C)C=C1OC1=NC=CC(C2=C(C3=CC=C(C(F)(F)F)C=C3)N=CN2C2CCN(CCOCCOCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=N1", "label": -1}, "7866": {"pro_comp_id": 4971, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_BD2_O60885_503_lig_smina_out.mol2", "protac_path": "4971_protac.mol2", "smiles": "CC1=CC=C(C(C)C)C=C1OC1=NC=CC(C2=C(C3=CC=C(C(F)(F)F)C=C3)N=CN2C2CCN(CCOCCOCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=N1", "label": -1}, "7867": {"pro_comp_id": 4971, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_BD2_O60885_503_lig_smina_out.mol2", "protac_path": "4971_protac.mol2", "smiles": "CC1=CC=C(C(C)C)C=C1OC1=NC=CC(C2=C(C3=CC=C(C(F)(F)F)C=C3)N=CN2C2CCN(CCOCCOCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=N1", "label": -1}, "7868": {"pro_comp_id": 4972, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_95_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4972_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCCCCC(=O)NCC(=O)N[C@H]1CCC(=O)NC1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7869": {"pro_comp_id": 4973, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_95_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4973_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCCCCC(=O)N[C@@H](C)C(=O)N[C@H]1CCC(=O)NC1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7870": {"pro_comp_id": 4974, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_95_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4974_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCCCCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCC(=O)NC1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7871": {"pro_comp_id": 4975, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_95_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4975_protac.mol2", "smiles": "CC[C@@H](C)[C@H](NC(=O)CCCCCCCCNC(=O)C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C2=C(SC(C)=C2C)N2C(C)=NN=C12)C(=O)N[C@H]1CCC(=O)NC1=O", "label": -1}, "7872": {"pro_comp_id": 4976, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_95_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4976_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCCCCC(=O)N[C@H](C(=O)N[C@H]1CCC(=O)NC1=O)C(C)C)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7873": {"pro_comp_id": 4977, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_95_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4977_protac.mol2", "smiles": "CSCC[C@H](NC(=O)CCCCCCCCNC(=O)C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C2=C(SC(C)=C2C)N2C(C)=NN=C12)C(=O)N[C@H]1CCC(=O)NC1=O", "label": -1}, "7874": {"pro_comp_id": 4978, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_95_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4978_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCCCCC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCC(=O)NC1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7875": {"pro_comp_id": 4979, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_95_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4979_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCCCCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@H]1CCC(=O)NC1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7876": {"pro_comp_id": 4980, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_95_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4980_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCCCCC(=O)N[C@@H](CC1=C[NH]C3=CC=CC=C13)C(=O)N[C@H]1CCC(=O)NC1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7877": {"pro_comp_id": 4981, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_95_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4981_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCCCCC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@H]1CCC(=O)NC1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7878": {"pro_comp_id": 4982, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_95_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4982_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCCCCC(=O)N[C@@H](CC1=C[NH]C=N1)C(=O)N[C@H]1CCC(=O)NC1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7879": {"pro_comp_id": 4983, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_95_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4983_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@H]1CCC(=O)NC1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7880": {"pro_comp_id": 4984, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_95_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4984_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCCCCC(=O)N[C@H](C(=O)N[C@H]1CCC(=O)NC1=O)[C@@H](C)O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7881": {"pro_comp_id": 4985, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_95_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4985_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCCCCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CCC(=O)NC1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7882": {"pro_comp_id": 4986, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_95_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4986_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NC1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7883": {"pro_comp_id": 4987, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_95_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4987_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCC(=O)NC1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7884": {"pro_comp_id": 4988, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_95_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4988_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NC1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7885": {"pro_comp_id": 4989, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_95_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4989_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCCCCC(=O)N[C@@H](CS)C(=O)N[C@H]1CCC(=O)NC1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7886": {"pro_comp_id": 4990, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_96_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4990_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCCCCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@H]1CC(=O)NC1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7887": {"pro_comp_id": 4991, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_96_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4991_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCCCCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CC(=O)NC1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7888": {"pro_comp_id": 4992, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_96_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "4992_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCCCCC(=O)N[C@@H](CC1=C[NH]C=N1)C(=O)N[C@H]1CC(=O)NC1=O)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "7889": {"pro_comp_id": 4993, "tar_path": "VEGFR-2_P35968.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "VEGFR-2_P35968_504_lig_smina_out.mol2", "protac_path": "4993_protac.mol2", "smiles": "CC1=CC=C(NC(=O)CN2C=C(C3=CC=C4C(NC(=O)CCCCCCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)=N[NH]C4=C3)C=N2)C=C1C(F)(F)F", "label": -1}, "7890": {"pro_comp_id": 4994, "tar_path": "VEGFR-2_P35968.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "VEGFR-2_P35968_504_lig_smina_out.mol2", "protac_path": "4994_protac.mol2", "smiles": "CC1=CC=C(NC(=O)CN2C=C(C3=CC=C4C(NC(=O)C5=CC=C(NC(=O)CCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)C=C5)=N[NH]C4=C3)C=N2)C=C1C(F)(F)F", "label": -1}, "7891": {"pro_comp_id": 4995, "tar_path": "VEGFR-2_P35968.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "VEGFR-2_P35968_504_lig_smina_out.mol2", "protac_path": "4995_protac.mol2", "smiles": "CC1=CC=C(NC(=O)CN2C=C(C3=CC=C4C(NC(=O)C5=CC=C(NC(=O)CCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)C=C5)=N[NH]C4=C3)C=N2)C=C1C(F)(F)F", "label": -1}, "7892": {"pro_comp_id": 4996, "tar_path": "VEGFR-2_P35968.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "VEGFR-2_P35968_504_lig_smina_out.mol2", "protac_path": "4996_protac.mol2", "smiles": "CC1=CC=C(NC(=O)CN2C=C(C3=CC=C4C(NC(=O)C5=CC=C(NC(=O)CCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)C=C5)=N[NH]C4=C3)C=N2)C=C1C(F)(F)F", "label": -1}, "7893": {"pro_comp_id": 4997, "tar_path": "VEGFR-2_P35968.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "VEGFR-2_P35968_504_lig_smina_out.mol2", "protac_path": "4997_protac.mol2", "smiles": "CC1=CC=C(NC(=O)CN2C=C(C3=CC=C4C(NC(=O)C5=CC=C(NC(=O)CCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)C=C5)=N[NH]C4=C3)C=N2)C=C1C(F)(F)F", "label": -1}, "7894": {"pro_comp_id": 4998, "tar_path": "VEGFR-2_P35968.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "VEGFR-2_P35968_504_lig_smina_out.mol2", "protac_path": "4998_protac.mol2", "smiles": "CC1=CC=C(NC(=O)CN2C=C(C3=CC=C4C(NC(=O)C5=CC=C(NC(=O)CCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)C=C5)=N[NH]C4=C3)C=N2)C=C1C(F)(F)F", "label": -1}, "7895": {"pro_comp_id": 4999, "tar_path": "VEGFR-2_P35968.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "VEGFR-2_P35968_504_lig_smina_out.mol2", "protac_path": "4999_protac.mol2", "smiles": "CC1=CC=C(NC(=O)CN2C=C(C3=CC=C4C(NC(=O)C5=CC=C(NC(=O)CCCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)C=C5)=N[NH]C4=C3)C=N2)C=C1C(F)(F)F", "label": -1}, "7896": {"pro_comp_id": 5000, "tar_path": "VEGFR-2_P35968.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "VEGFR-2_P35968_504_lig_smina_out.mol2", "protac_path": "5000_protac.mol2", "smiles": "CC1=CC=C(NC(=O)CN2C=C(C3=CC=C4C(NC(=O)C5=CC=C(NC(=O)CCCCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)C=C5)=N[NH]C4=C3)C=N2)C=C1C(F)(F)F", "label": -1}, "7897": {"pro_comp_id": 5001, "tar_path": "VEGFR-2_P35968.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "VEGFR-2_P35968_504_lig_smina_out.mol2", "protac_path": "5001_protac.mol2", "smiles": "CC1=CC=C(NC(=O)CN2C=C(C3=CC=C4C(NC(=O)C5=CC=C(NC(=O)CCCCCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)C=C5)=N[NH]C4=C3)C=N2)C=C1C(F)(F)F", "label": -1}, "7898": {"pro_comp_id": 5002, "tar_path": "VEGFR-2_P35968.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "VEGFR-2_P35968_504_lig_smina_out.mol2", "protac_path": "5002_protac.mol2", "smiles": "CC1=CC=C(NC(=O)CN2C=C(C3=CC=C4C(NC(=O)C5=CC=C(NC(=O)CCCCC(=O)N6CCN(CCCC(=O)N[C@H](C(=O)N7C[C@H](O)C[C@H]7C(=O)NCC7=CC=C(C8=C(C)N=CS8)C=C7)C(C)(C)C)CC6)C=C5)=N[NH]C4=C3)C=N2)C=C1C(F)(F)F", "label": -1}, "7899": {"pro_comp_id": 5003, "tar_path": "VEGFR-2_P35968.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "VEGFR-2_P35968_504_lig_smina_out.mol2", "protac_path": "5003_protac.mol2", "smiles": "CC1=CC=C(NC(=O)CN2C=C(C3=CC=C4C(NC(=O)C5=CC=C(NC(=O)CCCCC(=O)N6CCN(CCCCC(=O)N[C@H](C(=O)N7C[C@H](O)C[C@H]7C(=O)NCC7=CC=C(C8=C(C)N=CS8)C=C7)C(C)(C)C)CC6)C=C5)=N[NH]C4=C3)C=N2)C=C1C(F)(F)F", "label": -1}, "7900": {"pro_comp_id": 5004, "tar_path": "VEGFR-2_P35968.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "VEGFR-2_P35968_504_lig_smina_out.mol2", "protac_path": "5004_protac.mol2", "smiles": "CC1=CC=C(NC(=O)CN2C=C(C3=CC=C4C(NC(=O)C5=CC=C(NC(=O)CCCCC(=O)N6CCN(CCCCCC(=O)N[C@H](C(=O)N7C[C@H](O)C[C@H]7C(=O)NCC7=CC=C(C8=C(C)N=CS8)C=C7)C(C)(C)C)CC6)C=C5)=N[NH]C4=C3)C=N2)C=C1C(F)(F)F", "label": -1}, "7901": {"pro_comp_id": 5005, "tar_path": "VEGFR-2_P35968.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "VEGFR-2_P35968_504_lig_smina_out.mol2", "protac_path": "5005_protac.mol2", "smiles": "CC1=CC=C(NC(=O)CN2C=C(C3=CC=C4C(NC(=O)C5=CC=C(NC(=O)CCCCC(=O)N6CCN(CCCCCCC(=O)N[C@H](C(=O)N7C[C@H](O)C[C@H]7C(=O)NCC7=CC=C(C8=C(C)N=CS8)C=C7)C(C)(C)C)CC6)C=C5)=N[NH]C4=C3)C=N2)C=C1C(F)(F)F", "label": -1}, "7902": {"pro_comp_id": 5006, "tar_path": "VEGFR-2_P35968.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "VEGFR-2_P35968_504_lig_smina_out.mol2", "protac_path": "5006_protac.mol2", "smiles": "CC1=CC=C(NC(=O)CN2C=C(C3=CC=C4C(NC(=O)C5=CC=C(NC(=O)CCCCC(=O)N6CCN(CCCCCCCC(=O)N[C@H](C(=O)N7C[C@H](O)C[C@H]7C(=O)NCC7=CC=C(C8=C(C)N=CS8)C=C7)C(C)(C)C)CC6)C=C5)=N[NH]C4=C3)C=N2)C=C1C(F)(F)F", "label": -1}, "7903": {"pro_comp_id": 5007, "tar_path": "VEGFR-2_P35968.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "VEGFR-2_P35968_504_lig_smina_out.mol2", "protac_path": "5007_protac.mol2", "smiles": "CC1=CC=C(NC(=O)CN2C=C(C3=CC=C4C(NC(=O)C5=CC=C(N6CCN(CCCCC(=O)N[C@H](C(=O)N7C[C@H](O)C[C@H]7C(=O)NCC7=CC=C(C8=C(C)N=CS8)C=C7)C(C)(C)C)CC6)C=C5)=N[NH]C4=C3)C=N2)C=C1C(F)(F)F", "label": -1}, "7904": {"pro_comp_id": 5008, "tar_path": "VEGFR-2_P35968.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "VEGFR-2_P35968_504_lig_smina_out.mol2", "protac_path": "5008_protac.mol2", "smiles": "CC1=CC=C(NC(=O)CN2C=C(C3=CC=C4C(NC(=O)C5=CC=C(N6CCN(CCCCCC(=O)N[C@H](C(=O)N7C[C@H](O)C[C@H]7C(=O)NCC7=CC=C(C8=C(C)N=CS8)C=C7)C(C)(C)C)CC6)C=C5)=N[NH]C4=C3)C=N2)C=C1C(F)(F)F", "label": -1}, "7905": {"pro_comp_id": 5009, "tar_path": "VEGFR-2_P35968.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "VEGFR-2_P35968_504_lig_smina_out.mol2", "protac_path": "5009_protac.mol2", "smiles": "CC1=CC=C(NC(=O)CN2C=C(C3=CC=C4C(NC(=O)C5=CC=C(N6CCN(CCCCCCC(=O)N[C@H](C(=O)N7C[C@H](O)C[C@H]7C(=O)NCC7=CC=C(C8=C(C)N=CS8)C=C7)C(C)(C)C)CC6)C=C5)=N[NH]C4=C3)C=N2)C=C1C(F)(F)F", "label": -1}, "7906": {"pro_comp_id": 5010, "tar_path": "VEGFR-2_P35968.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "VEGFR-2_P35968_504_lig_smina_out.mol2", "protac_path": "5010_protac.mol2", "smiles": "CC1=CC=C(NC(=O)CN2C=C(C3=CC=C4C(NC(=O)C5=CC=C(N6CCN(CCCCCCCC(=O)N[C@H](C(=O)N7C[C@H](O)C[C@H]7C(=O)NCC7=CC=C(C8=C(C)N=CS8)C=C7)C(C)(C)C)CC6)C=C5)=N[NH]C4=C3)C=N2)C=C1C(F)(F)F", "label": -1}, "7907": {"pro_comp_id": 5011, "tar_path": "VEGFR-2_P35968.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "VEGFR-2_P35968_504_lig_smina_out.mol2", "protac_path": "5011_protac.mol2", "smiles": "CC1=CC=C(NC(=O)CN2C=C(C3=CC=C4C(NC(=O)C5=CC=C(N6CCN(C(=O)CCCCC(=O)N[C@H](C(=O)N7C[C@H](O)C[C@H]7C(=O)NCC7=CC=C(C8=C(C)N=CS8)C=C7)C(C)(C)C)CC6)C=C5)=N[NH]C4=C3)C=N2)C=C1C(F)(F)F", "label": -1}, "7908": {"pro_comp_id": 5012, "tar_path": "VEGFR-2_P35968.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "VEGFR-2_P35968_504_lig_smina_out.mol2", "protac_path": "5012_protac.mol2", "smiles": "CC1=CC=C(NC(=O)CN2C=C(C3=CC=C4C(NC(=O)C5=CC=C(N6CCN(C(=O)CCCCCCC(=O)N[C@H](C(=O)N7C[C@H](O)C[C@H]7C(=O)NCC7=CC=C(C8=C(C)N=CS8)C=C7)C(C)(C)C)CC6)C=C5)=N[NH]C4=C3)C=N2)C=C1C(F)(F)F", "label": -1}, "7909": {"pro_comp_id": 5013, "tar_path": "VEGFR-2_P35968.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "VEGFR-2_P35968_504_lig_smina_out.mol2", "protac_path": "5013_protac.mol2", "smiles": "CC1=CC=C(NC(=O)CN2C=C(C3=CC=C4C(NC(=O)C5=CC=C(N6CCN(C(=O)CCCCCCCCC(=O)N[C@H](C(=O)N7C[C@H](O)C[C@H]7C(=O)NCC7=CC=C(C8=C(C)N=CS8)C=C7)C(C)(C)C)CC6)C=C5)=N[NH]C4=C3)C=N2)C=C1C(F)(F)F", "label": -1}, "7910": {"pro_comp_id": 5014, "tar_path": "VEGFR-2_P35968.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "VEGFR-2_P35968_504_lig_smina_out.mol2", "protac_path": "5014_protac.mol2", "smiles": "CC1=CC=C(NC(=O)CN2C=C(C3=CC=C4C(NC(=O)C5=CC=C(N6CCN(C(=O)CCCCCCCCCCC(=O)N[C@H](C(=O)N7C[C@H](O)C[C@H]7C(=O)NCC7=CC=C(C8=C(C)N=CS8)C=C7)C(C)(C)C)CC6)C=C5)=N[NH]C4=C3)C=N2)C=C1C(F)(F)F", "label": -1}, "7911": {"pro_comp_id": 5015, "tar_path": "VEGFR-2_P35968.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "VEGFR-2_P35968_504_lig_smina_out.mol2", "protac_path": "5015_protac.mol2", "smiles": "CC1=CC=C(NC(=O)CN2C=C(C3=CC=C4C(NC(=O)C5=CC=C(N)C=C5)=NN(C(=O)CCCCCCCCC(=O)N[C@@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)C4=C3)C=N2)C=C1C(F)(F)F", "label": -1}, "7912": {"pro_comp_id": 5016, "tar_path": "VEGFR-2_P35968.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "VEGFR-2_P35968_504_lig_smina_out.mol2", "protac_path": "5016_protac.mol2", "smiles": "CC1=CC=C(NC(=O)CN2C=C(C3=CC=C4C(NC(=O)C5=CC=C(N)C=C5)=NN(C(=O)CCCCCCCCCCC(=O)N[C@@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)C4=C3)C=N2)C=C1C(F)(F)F", "label": -1}, "7913": {"pro_comp_id": 5017, "tar_path": "NTMT1_Q9BV86.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_29_lig_smina_out.mol2", "war_path": "NTMT1_Q9BV86_505_lig_smina_out.mol2", "protac_path": "5017_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)C(OCCNC(=O)C3=CC=CC=C3NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CCCN3C(=O)CC3=CC=CC4=CC=CC=C34)=C2)SC=N1", "label": -1}, "7914": {"pro_comp_id": 5018, "tar_path": "NTMT1_Q9BV86.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_29_lig_smina_out.mol2", "war_path": "NTMT1_Q9BV86_505_lig_smina_out.mol2", "protac_path": "5018_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)C(OCCOCCNC(=O)C3=CC=CC=C3NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CCCN3C(=O)CC3=CC=CC4=CC=CC=C34)=C2)SC=N1", "label": -1}, "7915": {"pro_comp_id": 5019, "tar_path": "NTMT1_Q9BV86.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_29_lig_smina_out.mol2", "war_path": "NTMT1_Q9BV86_505_lig_smina_out.mol2", "protac_path": "5019_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)C(OCCOCCOCCOCCNC(=O)C3=CC=CC=C3NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CCCN3C(=O)CC3=CC=CC4=CC=CC=C34)=C2)SC=N1", "label": -1}, "7916": {"pro_comp_id": 5020, "tar_path": "ERK5_Q13164.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MAPK7_Q13164_506_lig_smina_out.mol2", "protac_path": "5020_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3CCN(C(=O)C4=CC=C(NC5=NC=C6C(=N5)N(C5CCCC5)C5=CC=CC=C5C(=O)N6C)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7917": {"pro_comp_id": 5021, "tar_path": "ERK5_Q13164.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MAPK7_Q13164_507_lig_smina_out.mol2", "protac_path": "5021_protac.mol2", "smiles": "CCC(C)N1C2=CC=CC=C2C(=O)N(C)C2=CN=C(NC3=CC=C(C(=O)N4CCN(CCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=C3)N=C21", "label": -1}, "7918": {"pro_comp_id": 5022, "tar_path": "ERK5_Q13164.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "MAPK7_Q13164_508_lig_smina_out.mol2", "protac_path": "5022_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3CCN(C4=CC=C5C(C6CCN(C(=O)C7=CC=C(OC(F)(F)F)C=C7N)CC6)=NC=NC5=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7919": {"pro_comp_id": 5023, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_509_lig_smina_out.mol2", "protac_path": "5023_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCCN3CCC(C4=CC=C5C(=C4)N(C4CCCC4)C4=NC(=O)C6=C(Br)C=CC=C6N54)CC3)=C2)SC=N1", "label": -1}, "7920": {"pro_comp_id": 5023, "tar_path": "SMARCA4_P51532.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "SMARCA4_P51532_509_lig_smina_out.mol2", "protac_path": "5023_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCCN3CCC(C4=CC=C5C(=C4)N(C4CCCC4)C4=NC(=O)C6=C(Br)C=CC=C6N54)CC3)=C2)SC=N1", "label": -1}, "7921": {"pro_comp_id": 5024, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_509_lig_smina_out.mol2", "protac_path": "5024_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](CCCN3CCC(C4=CC=C5C(=C4)N(C4CCCC4)C4=NC(=O)C6=C(Br)C=CC=C6N54)CC3)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7922": {"pro_comp_id": 5024, "tar_path": "SMARCA4_P51532.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "SMARCA4_P51532_509_lig_smina_out.mol2", "protac_path": "5024_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](CCCN3CCC(C4=CC=C5C(=C4)N(C4CCCC4)C4=NC(=O)C6=C(Br)C=CC=C6N54)CC3)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7923": {"pro_comp_id": 5025, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_509_lig_smina_out.mol2", "protac_path": "5025_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](COCCN3CCC(C4=CC=C5C(=C4)N(C4CCCC4)C4=NC(=O)C6=C(Br)C=CC=C6N54)CC3)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7924": {"pro_comp_id": 5025, "tar_path": "SMARCA4_P51532.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "SMARCA4_P51532_509_lig_smina_out.mol2", "protac_path": "5025_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](COCCN3CCC(C4=CC=C5C(=C4)N(C4CCCC4)C4=NC(=O)C6=C(Br)C=CC=C6N54)CC3)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7925": {"pro_comp_id": 5026, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_509_lig_smina_out.mol2", "protac_path": "5026_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](CO[C@H](C)CN3CCC(C4=CC=C5C(=C4)N(C4CCCC4)C4=NC(=O)C6=C(Br)C=CC=C6N54)CC3)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7926": {"pro_comp_id": 5026, "tar_path": "SMARCA4_P51532.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "SMARCA4_P51532_509_lig_smina_out.mol2", "protac_path": "5026_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](CO[C@H](C)CN3CCC(C4=CC=C5C(=C4)N(C4CCCC4)C4=NC(=O)C6=C(Br)C=CC=C6N54)CC3)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7927": {"pro_comp_id": 5027, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_509_lig_smina_out.mol2", "protac_path": "5027_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](CO[C@H](C)CN3CCC(C4=CC=C5C(=C4)N(C4CCCC4)C4=NC(=O)C6=C(Br)C=CC=C6N54)CC3)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(N(C)C)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7928": {"pro_comp_id": 5027, "tar_path": "SMARCA4_P51532.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "SMARCA4_P51532_509_lig_smina_out.mol2", "protac_path": "5027_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](CO[C@H](C)CN3CCC(C4=CC=C5C(=C4)N(C4CCCC4)C4=NC(=O)C6=C(Br)C=CC=C6N54)CC3)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(N(C)C)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7929": {"pro_comp_id": 5028, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_509_lig_smina_out.mol2", "protac_path": "5028_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](CCCCCN3CCC(C4=CC=C5C(=C4)N(C4CCCC4)C4=NC(=O)C6=C(Br)C=CC=C6N54)CC3)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7930": {"pro_comp_id": 5028, "tar_path": "SMARCA4_P51532.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "SMARCA4_P51532_509_lig_smina_out.mol2", "protac_path": "5028_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](CCCCCN3CCC(C4=CC=C5C(=C4)N(C4CCCC4)C4=NC(=O)C6=C(Br)C=CC=C6N54)CC3)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7931": {"pro_comp_id": 5029, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_509_lig_smina_out.mol2", "protac_path": "5029_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](CC[C@H](C)CCN3CCC(C4=CC=C5C(=C4)N(C4CCCC4)C4=NC(=O)C6=C(Br)C=CC=C6N54)CC3)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7932": {"pro_comp_id": 5029, "tar_path": "SMARCA4_P51532.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "SMARCA4_P51532_509_lig_smina_out.mol2", "protac_path": "5029_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](CC[C@H](C)CCN3CCC(C4=CC=C5C(=C4)N(C4CCCC4)C4=NC(=O)C6=C(Br)C=CC=C6N54)CC3)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7933": {"pro_comp_id": 5030, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5030_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7934": {"pro_comp_id": 5030, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5030_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7935": {"pro_comp_id": 5030, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5030_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7936": {"pro_comp_id": 5031, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5031_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7937": {"pro_comp_id": 5031, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5031_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7938": {"pro_comp_id": 5031, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5031_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7939": {"pro_comp_id": 5032, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5032_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7940": {"pro_comp_id": 5032, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5032_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7941": {"pro_comp_id": 5032, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5032_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7942": {"pro_comp_id": 5033, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5033_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7943": {"pro_comp_id": 5033, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5033_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7944": {"pro_comp_id": 5033, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5033_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7945": {"pro_comp_id": 5034, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5034_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7946": {"pro_comp_id": 5034, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5034_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7947": {"pro_comp_id": 5034, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5034_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7948": {"pro_comp_id": 5035, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5035_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7949": {"pro_comp_id": 5035, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5035_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7950": {"pro_comp_id": 5035, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5035_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7951": {"pro_comp_id": 5036, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5036_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7952": {"pro_comp_id": 5036, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5036_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7953": {"pro_comp_id": 5036, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5036_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7954": {"pro_comp_id": 5037, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5037_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7955": {"pro_comp_id": 5037, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5037_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7956": {"pro_comp_id": 5037, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5037_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7957": {"pro_comp_id": 5038, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5038_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7958": {"pro_comp_id": 5038, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5038_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7959": {"pro_comp_id": 5038, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5038_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7960": {"pro_comp_id": 5039, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5039_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7961": {"pro_comp_id": 5039, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5039_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7962": {"pro_comp_id": 5039, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5039_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7963": {"pro_comp_id": 5040, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5040_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7964": {"pro_comp_id": 5040, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5040_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7965": {"pro_comp_id": 5040, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5040_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7966": {"pro_comp_id": 5041, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5041_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7967": {"pro_comp_id": 5041, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5041_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7968": {"pro_comp_id": 5041, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5041_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7969": {"pro_comp_id": 5042, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5042_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7970": {"pro_comp_id": 5042, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5042_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7971": {"pro_comp_id": 5042, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5042_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7972": {"pro_comp_id": 5043, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5043_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7973": {"pro_comp_id": 5043, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5043_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7974": {"pro_comp_id": 5043, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5043_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7975": {"pro_comp_id": 5044, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5044_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7976": {"pro_comp_id": 5044, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5044_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7977": {"pro_comp_id": 5044, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5044_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7978": {"pro_comp_id": 5045, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5045_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7979": {"pro_comp_id": 5045, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5045_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7980": {"pro_comp_id": 5045, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5045_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7981": {"pro_comp_id": 5046, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5046_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7982": {"pro_comp_id": 5046, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5046_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7983": {"pro_comp_id": 5046, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5046_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7984": {"pro_comp_id": 5047, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5047_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7985": {"pro_comp_id": 5047, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5047_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7986": {"pro_comp_id": 5047, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5047_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "7987": {"pro_comp_id": 5048, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5048_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCC(=O)NCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "7988": {"pro_comp_id": 5048, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5048_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCC(=O)NCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "7989": {"pro_comp_id": 5048, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5048_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCC(=O)NCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "7990": {"pro_comp_id": 5049, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5049_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCC(=O)NCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "7991": {"pro_comp_id": 5049, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5049_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCC(=O)NCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "7992": {"pro_comp_id": 5049, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5049_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCC(=O)NCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "7993": {"pro_comp_id": 5050, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5050_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCC(=O)NCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "7994": {"pro_comp_id": 5050, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5050_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCC(=O)NCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "7995": {"pro_comp_id": 5050, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5050_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCC(=O)NCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "7996": {"pro_comp_id": 5051, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5051_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCC(=O)NCCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "7997": {"pro_comp_id": 5051, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5051_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCC(=O)NCCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "7998": {"pro_comp_id": 5051, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5051_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCC(=O)NCCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "7999": {"pro_comp_id": 5052, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5052_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCC(=O)NCCOCCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8000": {"pro_comp_id": 5052, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5052_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCC(=O)NCCOCCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8001": {"pro_comp_id": 5052, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5052_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCC(=O)NCCOCCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8002": {"pro_comp_id": 5053, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5053_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCC(=O)NCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8003": {"pro_comp_id": 5053, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5053_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCC(=O)NCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8004": {"pro_comp_id": 5053, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5053_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCC(=O)NCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8005": {"pro_comp_id": 5054, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5054_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCC(=O)NCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8006": {"pro_comp_id": 5054, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5054_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCC(=O)NCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8007": {"pro_comp_id": 5054, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5054_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCC(=O)NCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8008": {"pro_comp_id": 5055, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5055_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCC(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8009": {"pro_comp_id": 5055, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5055_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCC(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8010": {"pro_comp_id": 5055, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5055_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCC(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8011": {"pro_comp_id": 5056, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5056_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCC(=O)NCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8012": {"pro_comp_id": 5056, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5056_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCC(=O)NCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8013": {"pro_comp_id": 5056, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5056_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCC(=O)NCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8014": {"pro_comp_id": 5057, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5057_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCC(=O)NCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8015": {"pro_comp_id": 5057, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5057_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCC(=O)NCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8016": {"pro_comp_id": 5057, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5057_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCC(=O)NCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8017": {"pro_comp_id": 5058, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5058_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCC(=O)NCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8018": {"pro_comp_id": 5058, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5058_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCC(=O)NCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8019": {"pro_comp_id": 5058, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5058_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCC(=O)NCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8020": {"pro_comp_id": 5059, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5059_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCC(=O)NCCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8021": {"pro_comp_id": 5059, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5059_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCC(=O)NCCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8022": {"pro_comp_id": 5059, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5059_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCC(=O)NCCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8023": {"pro_comp_id": 5060, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5060_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCC(=O)NCCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8024": {"pro_comp_id": 5060, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5060_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCC(=O)NCCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8025": {"pro_comp_id": 5060, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5060_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCC(=O)NCCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8026": {"pro_comp_id": 5061, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5061_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCC(=O)NCCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8027": {"pro_comp_id": 5061, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5061_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCC(=O)NCCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8028": {"pro_comp_id": 5061, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5061_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCC(=O)NCCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8029": {"pro_comp_id": 5062, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5062_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCC(=O)NCCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8030": {"pro_comp_id": 5062, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5062_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCC(=O)NCCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8031": {"pro_comp_id": 5062, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5062_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCC(=O)NCCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8032": {"pro_comp_id": 5063, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5063_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCC(=O)NCCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8033": {"pro_comp_id": 5063, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5063_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCC(=O)NCCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8034": {"pro_comp_id": 5063, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5063_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCC(=O)NCCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8035": {"pro_comp_id": 5064, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5064_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCC(=O)NCCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8036": {"pro_comp_id": 5064, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5064_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCC(=O)NCCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8037": {"pro_comp_id": 5064, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5064_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCC(=O)NCCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8038": {"pro_comp_id": 5065, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5065_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCC(=O)NCCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8039": {"pro_comp_id": 5065, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5065_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCC(=O)NCCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8040": {"pro_comp_id": 5065, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5065_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCC(=O)NCCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8041": {"pro_comp_id": 5066, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5066_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCC(=O)NCCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8042": {"pro_comp_id": 5066, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5066_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCC(=O)NCCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8043": {"pro_comp_id": 5066, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5066_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCC(=O)NCCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8044": {"pro_comp_id": 5067, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5067_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCC(=O)NCCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8045": {"pro_comp_id": 5067, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5067_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCC(=O)NCCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8046": {"pro_comp_id": 5067, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5067_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCC(=O)NCCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8047": {"pro_comp_id": 5068, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5068_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCC(=O)NCCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8048": {"pro_comp_id": 5068, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5068_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCC(=O)NCCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8049": {"pro_comp_id": 5068, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5068_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCC(=O)NCCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8050": {"pro_comp_id": 5069, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5069_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCC(=O)NCCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8051": {"pro_comp_id": 5069, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5069_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCC(=O)NCCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8052": {"pro_comp_id": 5069, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5069_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCC(=O)NCCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8053": {"pro_comp_id": 5070, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5070_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCC(=O)NCCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8054": {"pro_comp_id": 5070, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5070_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCC(=O)NCCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8055": {"pro_comp_id": 5070, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5070_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCC(=O)NCCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8056": {"pro_comp_id": 5071, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5071_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCC(=O)NCCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8057": {"pro_comp_id": 5071, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5071_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCC(=O)NCCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8058": {"pro_comp_id": 5071, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5071_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCC(=O)NCCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8059": {"pro_comp_id": 5072, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5072_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCC(=O)NCCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8060": {"pro_comp_id": 5072, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5072_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCC(=O)NCCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8061": {"pro_comp_id": 5072, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5072_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCC(=O)NCCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8062": {"pro_comp_id": 5073, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5073_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCC(=O)NCCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8063": {"pro_comp_id": 5073, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5073_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCC(=O)NCCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8064": {"pro_comp_id": 5073, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5073_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCC(=O)NCCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8065": {"pro_comp_id": 5074, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5074_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCC(=O)NCCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8066": {"pro_comp_id": 5074, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5074_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCC(=O)NCCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8067": {"pro_comp_id": 5074, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5074_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCC(=O)NCCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8068": {"pro_comp_id": 5075, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5075_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCC(=O)NCCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8069": {"pro_comp_id": 5075, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5075_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCC(=O)NCCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8070": {"pro_comp_id": 5075, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5075_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCC(=O)NCCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8071": {"pro_comp_id": 5076, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5076_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCC(=O)NCCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8072": {"pro_comp_id": 5076, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5076_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCC(=O)NCCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8073": {"pro_comp_id": 5076, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5076_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCC(=O)NCCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8074": {"pro_comp_id": 5077, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5077_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8075": {"pro_comp_id": 5077, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5077_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8076": {"pro_comp_id": 5077, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5077_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8077": {"pro_comp_id": 5078, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5078_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCNC(=O)CCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8078": {"pro_comp_id": 5078, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5078_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCNC(=O)CCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8079": {"pro_comp_id": 5078, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5078_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCNC(=O)CCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8080": {"pro_comp_id": 5079, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5079_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCNC(=O)CCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8081": {"pro_comp_id": 5079, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5079_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCNC(=O)CCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8082": {"pro_comp_id": 5079, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5079_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCNC(=O)CCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8083": {"pro_comp_id": 5080, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5080_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCNC(=O)CCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8084": {"pro_comp_id": 5080, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5080_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCNC(=O)CCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8085": {"pro_comp_id": 5080, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5080_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCNC(=O)CCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8086": {"pro_comp_id": 5081, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5081_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCNC(=O)CCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8087": {"pro_comp_id": 5081, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5081_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCNC(=O)CCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8088": {"pro_comp_id": 5081, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5081_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCNC(=O)CCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8089": {"pro_comp_id": 5082, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5082_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCNC(=O)CCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8090": {"pro_comp_id": 5082, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5082_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCNC(=O)CCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8091": {"pro_comp_id": 5082, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5082_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCNC(=O)CCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8092": {"pro_comp_id": 5083, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5083_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCNC(=O)CCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8093": {"pro_comp_id": 5083, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5083_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCNC(=O)CCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8094": {"pro_comp_id": 5083, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5083_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCNC(=O)CCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8095": {"pro_comp_id": 5084, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5084_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCNC(=O)CCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8096": {"pro_comp_id": 5084, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5084_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCNC(=O)CCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8097": {"pro_comp_id": 5084, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5084_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCNC(=O)CCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8098": {"pro_comp_id": 5085, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5085_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCNC(=O)CCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8099": {"pro_comp_id": 5085, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5085_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCNC(=O)CCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8100": {"pro_comp_id": 5085, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5085_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCNC(=O)CCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8101": {"pro_comp_id": 5086, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5086_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCNC(=O)CCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8102": {"pro_comp_id": 5086, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5086_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCNC(=O)CCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8103": {"pro_comp_id": 5086, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5086_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCNC(=O)CCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8104": {"pro_comp_id": 5087, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5087_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCNC(=O)CCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8105": {"pro_comp_id": 5087, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5087_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCNC(=O)CCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8106": {"pro_comp_id": 5087, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5087_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCNC(=O)CCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8107": {"pro_comp_id": 5088, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5088_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCNC(=O)CCOCCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8108": {"pro_comp_id": 5088, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5088_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCNC(=O)CCOCCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8109": {"pro_comp_id": 5088, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5088_protac.mol2", "smiles": "NC1=NC=CC=C1C1=NC2=CC=C(C3=CC=CC(CCNC(=O)CCOCCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N=C2N1C1=CC=C(C2(N)CCC2)C=C1", "label": -1}, "8110": {"pro_comp_id": 5089, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AKT1_P31749_249_lig_smina_out.mol2", "protac_path": "5089_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8111": {"pro_comp_id": 5089, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AKT2_P31751_249_lig_smina_out.mol2", "protac_path": "5089_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8112": {"pro_comp_id": 5089, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_249_lig_smina_out.mol2", "protac_path": "5089_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8113": {"pro_comp_id": 5090, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FLT3_P36888_510_lig_smina_out.mol2", "protac_path": "5090_protac.mol2", "smiles": "NC1CCC(NC2=NC(NC3=CC=C(N4CCN(CCOCCOCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)=C3N=CN(C4CCCC4)C3=N2)CC1", "label": -1}, "8114": {"pro_comp_id": 5090, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FLT3_P36888_510_lig_smina_out.mol2", "protac_path": "5090_protac.mol2", "smiles": "NC1CCC(NC2=NC(NC3=CC=C(N4CCN(CCOCCOCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)=C3N=CN(C4CCCC4)C3=N2)CC1", "label": -1}, "8115": {"pro_comp_id": 5090, "tar_path": "CDK9_P50750.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK9_P50750_510_lig_smina_out.mol2", "protac_path": "5090_protac.mol2", "smiles": "NC1CCC(NC2=NC(NC3=CC=C(N4CCN(CCOCCOCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)=C3N=CN(C4CCCC4)C3=N2)CC1", "label": -1}, "8116": {"pro_comp_id": 5091, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_80_lig_smina_out.mol2", "war_path": "BTK_Q06187_511_lig_smina_out.mol2", "protac_path": "5091_protac.mol2", "smiles": "CC1=C(C2=NC(NC3=CC=C(N4CCC(CN5CCC(C6=CC=C(NC7CCC(=O)NC7=O)C=C6)CC5)CC4)C=C3)=C3N=C[NH]C3=N2)C=CC=C1N1CCN2C(=CC3=C2CC(C)(C)C3)C1=O", "label": -1}, "8117": {"pro_comp_id": 5091, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_80_lig_smina_out.mol2", "war_path": "BTK_Q06187_511_lig_smina_out.mol2", "protac_path": "5091_protac.mol2", "smiles": "CC1=C(C2=NC(NC3=CC=C(N4CCC(CN5CCC(C6=CC=C(NC7CCC(=O)NC7=O)C=C6)CC5)CC4)C=C3)=C3N=C[NH]C3=N2)C=CC=C1N1CCN2C(=CC3=C2CC(C)(C)C3)C1=O", "label": -1}, "8118": {"pro_comp_id": 5092, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Wee1_P30291_138_lig_smina_out.mol2", "protac_path": "5092_protac.mol2", "smiles": "C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1", "label": -1}, "8119": {"pro_comp_id": 5093, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Wee1_P30291_138_lig_smina_out.mol2", "protac_path": "5093_protac.mol2", "smiles": "C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1", "label": -1}, "8120": {"pro_comp_id": 5094, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Wee1_P30291_138_lig_smina_out.mol2", "protac_path": "5094_protac.mol2", "smiles": "C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1", "label": -1}, "8121": {"pro_comp_id": 5095, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Wee1_P30291_138_lig_smina_out.mol2", "protac_path": "5095_protac.mol2", "smiles": "C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1", "label": -1}, "8122": {"pro_comp_id": 5096, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Wee1_P30291_138_lig_smina_out.mol2", "protac_path": "5096_protac.mol2", "smiles": "C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1", "label": -1}, "8123": {"pro_comp_id": 5097, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Wee1_P30291_138_lig_smina_out.mol2", "protac_path": "5097_protac.mol2", "smiles": "C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1", "label": -1}, "8124": {"pro_comp_id": 5098, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Wee1_P30291_138_lig_smina_out.mol2", "protac_path": "5098_protac.mol2", "smiles": "C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1", "label": -1}, "8125": {"pro_comp_id": 5099, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Wee1_P30291_138_lig_smina_out.mol2", "protac_path": "5099_protac.mol2", "smiles": "C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1", "label": -1}, "8126": {"pro_comp_id": 5100, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Wee1_P30291_138_lig_smina_out.mol2", "protac_path": "5100_protac.mol2", "smiles": "C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1", "label": -1}, "8127": {"pro_comp_id": 5101, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Wee1_P30291_138_lig_smina_out.mol2", "protac_path": "5101_protac.mol2", "smiles": "C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1", "label": -1}, "8128": {"pro_comp_id": 5102, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Wee1_P30291_138_lig_smina_out.mol2", "protac_path": "5102_protac.mol2", "smiles": "C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1", "label": -1}, "8129": {"pro_comp_id": 5103, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Wee1_P30291_138_lig_smina_out.mol2", "protac_path": "5103_protac.mol2", "smiles": "C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCCCC(=O)NCC5=CC=C(CNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C=C5)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1", "label": -1}, "8130": {"pro_comp_id": 5104, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Wee1_P30291_138_lig_smina_out.mol2", "protac_path": "5104_protac.mol2", "smiles": "C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCCCC(=O)NCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1", "label": -1}, "8131": {"pro_comp_id": 5105, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "Wee1_P30291_138_lig_smina_out.mol2", "protac_path": "5105_protac.mol2", "smiles": "C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCCCC(=O)NCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1", "label": -1}, "8132": {"pro_comp_id": 5106, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Wee1_P30291_138_lig_smina_out.mol2", "protac_path": "5106_protac.mol2", "smiles": "C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1", "label": -1}, "8133": {"pro_comp_id": 5107, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Wee1_P30291_138_lig_smina_out.mol2", "protac_path": "5107_protac.mol2", "smiles": "C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1", "label": -1}, "8134": {"pro_comp_id": 5108, "tar_path": "Wee1_P30291.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Wee1_P30291_138_lig_smina_out.mol2", "protac_path": "5108_protac.mol2", "smiles": "C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1", "label": -1}, "8135": {"pro_comp_id": 5109, "tar_path": "FKBP12_P62942.pdb", "e3_ligase_path": "DCAF1_Q9Y4B6.pdb", "e3_lig_path": "DCAF1_Q9Y4B6_97_lig_smina_out.mol2", "war_path": "FKBP12_P62942_50_lig_smina_out.mol2", "protac_path": "5109_protac.mol2", "smiles": "C=CC(=O)N1C[C@H](C2=CC=C(C(=O)NCCOCCOCCNC(=O)COC3=CC=CC([C@@H](CCC4=CC=C(OC)C(OC)=C4)OC(=O)[C@@H]4CCCCN4C(=O)C(=O)C(C)(C)CC)=C3)C=C2)[C@@H]1C(=O)NC1=CC=CC2=CC=CN=C12", "label": -1}, "8136": {"pro_comp_id": 5110, "tar_path": "FKBP12_P62942.pdb", "e3_ligase_path": "DCAF1_Q9Y4B6.pdb", "e3_lig_path": "DCAF1_Q9Y4B6_97_lig_smina_out.mol2", "war_path": "FKBP12_P62942_50_lig_smina_out.mol2", "protac_path": "5110_protac.mol2", "smiles": "C=CC(=O)N1C[C@H](C2=CC=C(C(=O)NCCOCCOCCOCCNC(=O)COC3=CC=CC([C@@H](CCC4=CC=C(OC)C(OC)=C4)OC(=O)[C@@H]4CCCCN4C(=O)C(=O)C(C)(C)CC)=C3)C=C2)[C@@H]1C(=O)NC1=CC=CC2=CC=CN=C12", "label": -1}, "8137": {"pro_comp_id": 5111, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "DCAF1_Q9Y4B6.pdb", "e3_lig_path": "DCAF1_Q9Y4B6_97_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "5111_protac.mol2", "smiles": "C=CC(=O)N1C[C@H](C2=CC=C(C(=O)NCCOCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C=C2)[C@@H]1C(=O)NC1=CC=CC2=CC=CN=C12", "label": -1}, "8138": {"pro_comp_id": 5112, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ERalpha_P03372_512_lig_smina_out.mol2", "protac_path": "5112_protac.mol2", "smiles": "CC/C(=C(/C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C(=O)CCC2=CN(CCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1)C1=CC=CC=C1", "label": -1}, "8139": {"pro_comp_id": 5113, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ERalpha_P03372_512_lig_smina_out.mol2", "protac_path": "5113_protac.mol2", "smiles": "CC/C(=C(/C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C(=O)CCC2=CN(CCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1)C1=CC=CC=C1", "label": -1}, "8140": {"pro_comp_id": 5114, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ERalpha_P03372_512_lig_smina_out.mol2", "protac_path": "5114_protac.mol2", "smiles": "CC/C(=C(/C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C(=O)CCC2=CN(CCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1)C1=CC=CC=C1", "label": -1}, "8141": {"pro_comp_id": 5115, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ERalpha_P03372_512_lig_smina_out.mol2", "protac_path": "5115_protac.mol2", "smiles": "CC/C(=C(/C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C(=O)CCC2=CN(CCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1)C1=CC=CC=C1", "label": -1}, "8142": {"pro_comp_id": 5116, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ERalpha_P03372_512_lig_smina_out.mol2", "protac_path": "5116_protac.mol2", "smiles": "CC/C(=C(/C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C(=O)CCC2=CN(CCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N2)C=C1)C1=CC=CC=C1", "label": -1}, "8143": {"pro_comp_id": 5117, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ERalpha_P03372_512_lig_smina_out.mol2", "protac_path": "5117_protac.mol2", "smiles": "CC/C(=C(/C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C(=O)CCC2=CN(CCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N2)C=C1)C1=CC=CC=C1", "label": -1}, "8144": {"pro_comp_id": 5118, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ERalpha_P03372_512_lig_smina_out.mol2", "protac_path": "5118_protac.mol2", "smiles": "CC/C(=C(/C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C(=O)CCC2=CN(CCCC(=O)NCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N2)C=C1)C1=CC=CC=C1", "label": -1}, "8145": {"pro_comp_id": 5119, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ERalpha_P03372_512_lig_smina_out.mol2", "protac_path": "5119_protac.mol2", "smiles": "CC/C(=C(/C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C(=O)CCC2=CN(CCCC(=O)NCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N2)C=C1)C1=CC=CC=C1", "label": -1}, "8146": {"pro_comp_id": 5120, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ERalpha_P03372_512_lig_smina_out.mol2", "protac_path": "5120_protac.mol2", "smiles": "CC/C(=C(/C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C(=O)CCC2=CN(CCCCCC(=O)NCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N2)C=C1)C1=CC=CC=C1", "label": -1}, "8147": {"pro_comp_id": 5121, "tar_path": "HDAC4_P56524.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC4_P56524_513_lig_smina_out.mol2", "protac_path": "5121_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCC(F)(F)C3=CN=C(C4=CC=C(C(C(=O)NO)C5=CC=CC=C5F)C=C4)N=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8148": {"pro_comp_id": 5122, "tar_path": "HDAC4_P56524.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC4_P56524_513_lig_smina_out.mol2", "protac_path": "5122_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCC(F)(F)C3=CN=C(C4=CC=C(C(C(=O)NO)C5=CC=CC=C5F)C=C4)N=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8149": {"pro_comp_id": 5123, "tar_path": "HDAC4_P56524.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC4_P56524_513_lig_smina_out.mol2", "protac_path": "5123_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCC(F)(F)C3=CN=C(C4=CC=C(C(C(=O)NO)C5=CC=CC=C5F)C=C4)N=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8150": {"pro_comp_id": 5124, "tar_path": "HDAC4_P56524.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC4_P56524_514_lig_smina_out.mol2", "protac_path": "5124_protac.mol2", "smiles": "CCCN(CCCCOCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C)C[C@@H](C)NC(=O)C1=CC=C(C2=NOC(C(F)(F)F)=N2)C=C1", "label": -1}, "8151": {"pro_comp_id": 5125, "tar_path": "HDAC4_P56524.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC4_P56524_514_lig_smina_out.mol2", "protac_path": "5125_protac.mol2", "smiles": "CCCN(CCCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C)C[C@@H](C)NC(=O)C1=CC=C(C2=NOC(C(F)(F)F)=N2)C=C1", "label": -1}, "8152": {"pro_comp_id": 5126, "tar_path": "HDAC4_P56524.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC4_P56524_514_lig_smina_out.mol2", "protac_path": "5126_protac.mol2", "smiles": "CCCN(CCCCOCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C)C[C@@H](C)NC(=O)C1=CC=C(C2=NOC(C(F)(F)F)=N2)C=C1", "label": -1}, "8153": {"pro_comp_id": 5127, "tar_path": "FGFR1_P11362.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "FGFR1_P11362_515_lig_smina_out.mol2", "protac_path": "5127_protac.mol2", "smiles": "COC1=CC(CCC2=CC(NC(=O)C3=CC=C(N4C[C@H](C)N(CC(=O)N/N=C\\C5=CC=C(OCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)C=C5)[C@H](C)C4)C=C3)=N[NH]2)=CC(OC)=C1", "label": -1}, "8154": {"pro_comp_id": 5128, "tar_path": "FGFR1_P11362.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "FGFR1_P11362_515_lig_smina_out.mol2", "protac_path": "5128_protac.mol2", "smiles": "COC1=CC(CCC2=CC(NC(=O)C3=CC=C(N4C[C@H](C)N(CC(=O)N/N=C\\C5=CC=C(OCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)C=C5)[C@H](C)C4)C=C3)=N[NH]2)=CC(OC)=C1", "label": -1}, "8155": {"pro_comp_id": 5129, "tar_path": "FGFR1_P11362.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "FGFR1_P11362_515_lig_smina_out.mol2", "protac_path": "5129_protac.mol2", "smiles": "COC1=CC(CCC2=CC(NC(=O)C3=CC=C(N4C[C@H](C)N(CC(=O)N/N=C\\C5=CC=C(OCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)C=C5)[C@H](C)C4)C=C3)=N[NH]2)=CC(OC)=C1", "label": -1}, "8156": {"pro_comp_id": 5130, "tar_path": "FGFR1_P11362.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "FGFR1_P11362_515_lig_smina_out.mol2", "protac_path": "5130_protac.mol2", "smiles": "COC1=CC(CCC2=CC(NC(=O)C3=CC=C(N4C[C@H](C)N(CC(=O)N/N=C\\C5=CC=C(OCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)C=C5)[C@H](C)C4)C=C3)=N[NH]2)=CC(OC)=C1", "label": -1}, "8157": {"pro_comp_id": 5131, "tar_path": "FGFR1_P11362.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "FGFR1_P11362_515_lig_smina_out.mol2", "protac_path": "5131_protac.mol2", "smiles": "COC1=CC(CCC2=CC(NC(=O)C3=CC=C(N4C[C@H](C)N(CC(=O)N/N=C\\C5=CC=C(OCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)C=C5)[C@H](C)C4)C=C3)=N[NH]2)=CC(OC)=C1", "label": -1}, "8158": {"pro_comp_id": 5132, "tar_path": "FGFR1_P11362.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "FGFR1_P11362_515_lig_smina_out.mol2", "protac_path": "5132_protac.mol2", "smiles": "COC1=CC(CCC2=CC(NC(=O)C3=CC=C(N4C[C@H](C)N(CC(=O)N/N=C\\C5=CC=C(OCCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)C=C5)[C@H](C)C4)C=C3)=N[NH]2)=CC(OC)=C1", "label": -1}, "8159": {"pro_comp_id": 5133, "tar_path": "FGFR1_P11362.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "FGFR1_P11362_515_lig_smina_out.mol2", "protac_path": "5133_protac.mol2", "smiles": "COC1=CC(CCC2=CC(NC(=O)C3=CC=C(N4C[C@H](C)N(CC(=O)N/N=C\\C5=CC=C(OCCOCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)C=C5)[C@H](C)C4)C=C3)=N[NH]2)=CC(OC)=C1", "label": -1}, "8160": {"pro_comp_id": 5134, "tar_path": "FGFR1_P11362.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "FGFR1_P11362_515_lig_smina_out.mol2", "protac_path": "5134_protac.mol2", "smiles": "COC1=CC(CCC2=CC(NC(=O)C3=CC=C(N4C[C@H](C)N(CC(=O)N/N=C\\C5=CC=C(OCCOCCOCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)C=C5)[C@H](C)C4)C=C3)=N[NH]2)=CC(OC)=C1", "label": -1}, "8161": {"pro_comp_id": 5135, "tar_path": "FGFR1_P11362.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "FGFR1_P11362_515_lig_smina_out.mol2", "protac_path": "5135_protac.mol2", "smiles": "COC1=CC(CCC2=CC(NC(=O)C3=CC=C(N4C[C@H](C)N(CC(=O)N/N=C\\C5=CC=C(OCCOCCOCCOCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)C=C5)[C@H](C)C4)C=C3)=N[NH]2)=CC(OC)=C1", "label": -1}, "8162": {"pro_comp_id": 5136, "tar_path": "FGFR1_P11362.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "FGFR1_P11362_515_lig_smina_out.mol2", "protac_path": "5136_protac.mol2", "smiles": "COC1=CC(CCC2=CC(NC(=O)C3=CC=C(N4C[C@H](C)N(CC(=O)N/N=C\\C5=CC=C(OCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)C=C5)[C@H](C)C4)C=C3)=N[NH]2)=CC(OC)=C1", "label": -1}, "8163": {"pro_comp_id": 5137, "tar_path": "FGFR1_P11362.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "FGFR1_P11362_515_lig_smina_out.mol2", "protac_path": "5137_protac.mol2", "smiles": "COC1=CC(CCC2=CC(NC(=O)C3=CC=C(N4C[C@H](C)N(CC(=O)N/N=C\\C5=CC=C(OCCOCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)C=C5)[C@H](C)C4)C=C3)=N[NH]2)=CC(OC)=C1", "label": -1}, "8164": {"pro_comp_id": 5138, "tar_path": "FGFR1_P11362.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "FGFR1_P11362_515_lig_smina_out.mol2", "protac_path": "5138_protac.mol2", "smiles": "COC1=CC(CCC2=CC(NC(=O)C3=CC=C(N4C[C@H](C)N(CC(=O)N/N=C\\C5=CC=C(OCCOCCOCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)C=C5)[C@H](C)C4)C=C3)=N[NH]2)=CC(OC)=C1", "label": -1}, "8165": {"pro_comp_id": 5139, "tar_path": "FGFR1_P11362.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FGFR1_P11362_515_lig_smina_out.mol2", "protac_path": "5139_protac.mol2", "smiles": "COC1=CC(CCC2=CC(NC(=O)C3=CC=C(N4C[C@H](C)N(CC(=O)N/N=C/C5=CC=C(OCCOCC(=O)NCC#CC6=CC=CC7=C6CN(C6CCC(=O)NC6=O)C7=O)C=C5)[C@H](C)C4)C=C3)=N[NH]2)=CC(OC)=C1", "label": -1}, "8166": {"pro_comp_id": 5140, "tar_path": "FGFR1_P11362.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FGFR1_P11362_515_lig_smina_out.mol2", "protac_path": "5140_protac.mol2", "smiles": "COC1=CC(CCC2=CC(NC(=O)C3=CC=C(N4C[C@H](C)N(CC(=O)N/N=C/C5=CC=C(OCCOCCOCC(=O)NCC#CC6=CC=CC7=C6CN(C6CCC(=O)NC6=O)C7=O)C=C5)[C@H](C)C4)C=C3)=N[NH]2)=CC(OC)=C1", "label": -1}, "8167": {"pro_comp_id": 5141, "tar_path": "FGFR1_P11362.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FGFR1_P11362_515_lig_smina_out.mol2", "protac_path": "5141_protac.mol2", "smiles": "COC1=CC(CCC2=CC(NC(=O)C3=CC=C(N4C[C@H](C)N(CC(=O)N/N=C/C5=CC=C(OCCOCCOCCOCC(=O)NCC#CC6=CC=CC7=C6CN(C6CCC(=O)NC6=O)C7=O)C=C5)[C@H](C)C4)C=C3)=N[NH]2)=CC(OC)=C1", "label": -1}, "8168": {"pro_comp_id": 5142, "tar_path": "FGFR1_P11362.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FGFR1_P11362_515_lig_smina_out.mol2", "protac_path": "5142_protac.mol2", "smiles": "COC1=CC(CCC2=CC(NC(=O)C3=CC=C(N4C[C@H](C)N(CC(=O)N/N=C/C5=CC=C(OCCOCCOCCOCCOCC(=O)NCC#CC6=CC=CC7=C6CN(C6CCC(=O)NC6=O)C7=O)C=C5)[C@H](C)C4)C=C3)=N[NH]2)=CC(OC)=C1", "label": -1}, "8169": {"pro_comp_id": 5143, "tar_path": "FGFR1_P11362.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FGFR1_P11362_515_lig_smina_out.mol2", "protac_path": "5143_protac.mol2", "smiles": "COC1=CC(CCC2=CC(NC(=O)C3=CC=C(N4C[C@H](C)N(CC(=O)N/N=C/C5=CC=C(OCCOCCOCCOCCOCCOCC(=O)NCC#CC6=CC=CC7=C6CN(C6CCC(=O)NC6=O)C7=O)C=C5)[C@H](C)C4)C=C3)=N[NH]2)=CC(OC)=C1", "label": -1}, "8170": {"pro_comp_id": 5144, "tar_path": "FGFR1_P11362.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FGFR1_P11362_515_lig_smina_out.mol2", "protac_path": "5144_protac.mol2", "smiles": "COC1=CC(CCC2=CC(NC(=O)C3=CC=C(N4C[C@H](C)N(CC(=O)N/N=C/C5=CC=C(OCCOCCOCCOCCOCCOCCOCC(=O)NCC#CC6=CC=CC7=C6CN(C6CCC(=O)NC6=O)C7=O)C=C5)[C@H](C)C4)C=C3)=N[NH]2)=CC(OC)=C1", "label": -1}, "8171": {"pro_comp_id": 5145, "tar_path": "FGFR1_P11362.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FGFR1_P11362_515_lig_smina_out.mol2", "protac_path": "5145_protac.mol2", "smiles": "COC1=CC(CCC2=CC(NC(=O)C3=CC=C(N4C[C@H](C)N(CC(=O)N/N=C/C5=CC=C(OCC(=O)NCC#CC6=CC=CC7=C6CN(C6CCC(=O)NC6=O)C7=O)C=C5)[C@H](C)C4)C=C3)=N[NH]2)=CC(OC)=C1", "label": -1}, "8172": {"pro_comp_id": 5146, "tar_path": "FGFR1_P11362.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FGFR1_P11362_515_lig_smina_out.mol2", "protac_path": "5146_protac.mol2", "smiles": "COC1=CC(CCC2=CC(NC(=O)C3=CC=C(N4C[C@H](C)N(CC(=O)N/N=C/C5=CC=C(OCC(=O)NCCCC#CC6=CC=CC7=C6CN(C6CCC(=O)NC6=O)C7=O)C=C5)[C@H](C)C4)C=C3)=N[NH]2)=CC(OC)=C1", "label": -1}, "8173": {"pro_comp_id": 5147, "tar_path": "FGFR1_P11362.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FGFR1_P11362_515_lig_smina_out.mol2", "protac_path": "5147_protac.mol2", "smiles": "COC1=CC(CCC2=CC(NC(=O)C3=CC=C(N4C[C@H](C)N(CC(=O)N/N=C/C5=CC=C(OCC(=O)NCCCCC#CC6=CC=CC7=C6CN(C6CCC(=O)NC6=O)C7=O)C=C5)[C@H](C)C4)C=C3)=N[NH]2)=CC(OC)=C1", "label": -1}, "8174": {"pro_comp_id": 5148, "tar_path": "FGFR1_P11362.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FGFR1_P11362_515_lig_smina_out.mol2", "protac_path": "5148_protac.mol2", "smiles": "COC1=CC(CCC2=CC(NC(=O)C3=CC=C(N4C[C@H](C)N(CC(=O)N/N=C/C5=CC=C(OCC(=O)NCCCCCC#CC6=CC=CC7=C6CN(C6CCC(=O)NC6=O)C7=O)C=C5)[C@H](C)C4)C=C3)=N[NH]2)=CC(OC)=C1", "label": -1}, "8175": {"pro_comp_id": 5149, "tar_path": "FGFR1_P11362.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FGFR1_P11362_515_lig_smina_out.mol2", "protac_path": "5149_protac.mol2", "smiles": "COC1=CC(CCC2=CC(NC(=O)C3=CC=C(N4C[C@H](C)N(CC(=O)N/N=C/C5=CC=C(OCC(=O)NCCCCCCC#CC6=CC=CC7=C6CN(C6CCC(=O)NC6=O)C7=O)C=C5)[C@H](C)C4)C=C3)=N[NH]2)=CC(OC)=C1", "label": -1}, "8176": {"pro_comp_id": 5150, "tar_path": "FGFR1_P11362.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FGFR1_P11362_515_lig_smina_out.mol2", "protac_path": "5150_protac.mol2", "smiles": "COC1=CC(CCC2=CC(NC(=O)C3=CC=C(N4C[C@H](C)N(CC(=O)N/N=C/C5=CC=C(OCC(=O)NCCCCCCCC#CC6=CC=CC7=C6CN(C6CCC(=O)NC6=O)C7=O)C=C5)[C@H](C)C4)C=C3)=N[NH]2)=CC(OC)=C1", "label": -1}, "8177": {"pro_comp_id": 5151, "tar_path": "FGFR1_P11362.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "FGFR1_P11362_515_lig_smina_out.mol2", "protac_path": "5151_protac.mol2", "smiles": "COC1=CC(CCC2=CC(NC(=O)C3=CC=C(N4C[C@H](C)N(CC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)[C@H](C)C4)C=C3)=N[NH]2)=CC(OC)=C1", "label": -1}, "8178": {"pro_comp_id": 5152, "tar_path": "FGFR1_P11362.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "FGFR1_P11362_515_lig_smina_out.mol2", "protac_path": "5152_protac.mol2", "smiles": "COC1=CC(CCC2=CC(NC(=O)C3=CC=C(N4C[C@H](C)N(CC(=O)NCCC5=CC=C(OCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)C=C5)[C@H](C)C4)C=C3)=N[NH]2)=CC(OC)=C1", "label": -1}, "8179": {"pro_comp_id": 5153, "tar_path": "FGFR1_P11362.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "FGFR1_P11362_515_lig_smina_out.mol2", "protac_path": "5153_protac.mol2", "smiles": "COC1=CC(CCC2=CC(NC(=O)C3=CC=C(N4C[C@H](C)N(CC(=O)NCCC5=CC=C(OCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)C=C5)[C@H](C)C4)C=C3)=N[NH]2)=CC(OC)=C1", "label": -1}, "8180": {"pro_comp_id": 5154, "tar_path": "FGFR1_P11362.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "FGFR1_P11362_515_lig_smina_out.mol2", "protac_path": "5154_protac.mol2", "smiles": "COC1=CC(CCC2=CC(NC(=O)C3=CC=C(N4C[C@H](C)N(CC(=O)NCCC5=CC=C(OCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)C=C5)[C@H](C)C4)C=C3)=N[NH]2)=CC(OC)=C1", "label": -1}, "8181": {"pro_comp_id": 5155, "tar_path": "FGFR1_P11362.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "FGFR1_P11362_515_lig_smina_out.mol2", "protac_path": "5155_protac.mol2", "smiles": "COC1=CC(CCC2=CC(NC(=O)C3=CC=C(N4C[C@H](C)N(CC(=O)NCCC5=CC=C(OCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)C=C5)[C@H](C)C4)C=C3)=N[NH]2)=CC(OC)=C1", "label": -1}, "8182": {"pro_comp_id": 5156, "tar_path": "FGFR1_P11362.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "FGFR1_P11362_515_lig_smina_out.mol2", "protac_path": "5156_protac.mol2", "smiles": "COC1=CC(CCC2=CC(NC(=O)C3=CC=C(N4C[C@H](C)N(CC(=O)NCCC5=CC=C(OCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)C=C5)[C@H](C)C4)C=C3)=N[NH]2)=CC(OC)=C1", "label": -1}, "8183": {"pro_comp_id": 5157, "tar_path": "FGFR1_P11362.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FGFR1_P11362_515_lig_smina_out.mol2", "protac_path": "5157_protac.mol2", "smiles": "COC1=CC(CCC2=CC(NC(=O)C3=CC=C(N4C[C@H](C)N(CC(=O)NCCC5=CC=C(OCCOCCOCC(=O)NCC#CC6=CC=CC7=C6CN(C6CCC(=O)NC6=O)C7=O)C=C5)[C@H](C)C4)C=C3)=N[NH]2)=CC(OC)=C1", "label": -1}, "8184": {"pro_comp_id": 5158, "tar_path": "FKBP12_P62942.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "FKBP12_F36V_P62942_146_lig_smina_out.mol2", "protac_path": "5158_protac.mol2", "smiles": "CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCC1=CC=C(OC)C(OC)=C1)C1=CC=CC=C1OCC(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)[C@H](F)[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C)C1=CC(OC)=C(OC)C(OC)=C1", "label": -1}, "8185": {"pro_comp_id": 5159, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "KEAP1_Q14145.pdb", "e3_lig_path": "KEAP1_Q14145_98_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "5159_protac.mol2", "smiles": "COC1=CC([C@@H](CC(=O)O)C2=CC=C(C)C(CN3C[C@@H](C)OC4=CC(CCCCCCNC(=O)C[C@@H]5N=C(C6=CC=C(Cl)C=C6)C6=C(SC(C)=C6C)N6C(C)=NN=C56)=CC=C4S3(=O)=O)=C2)=CC2=C1N(C)N=N2", "label": -1}, "8186": {"pro_comp_id": 5160, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "KEAP1_Q14145.pdb", "e3_lig_path": "KEAP1_Q14145_98_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "5160_protac.mol2", "smiles": "COC1=CC([C@@H](CC(=O)O)C2=CC=C(C)C(CN3C[C@@H](C)OC4=CC(CCCNC(=O)C[C@@H]5N=C(C6=CC=C(Cl)C=C6)C6=C(SC(C)=C6C)N6C(C)=NN=C56)=CC=C4S3(=O)=O)=C2)=CC2=C1N(C)N=N2", "label": -1}, "8187": {"pro_comp_id": 5161, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "KEAP1_Q14145.pdb", "e3_lig_path": "KEAP1_Q14145_98_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "5161_protac.mol2", "smiles": "COC1=CC([C@@H](CC(=O)O)C2=CC=C(C)C(CN3C[C@@H](C)OC4=CC(CCCCNC(=O)C[C@@H]5N=C(C6=CC=C(Cl)C=C6)C6=C(SC(C)=C6C)N6C(C)=NN=C56)=CC=C4S3(=O)=O)=C2)=CC2=C1N(C)N=N2", "label": -1}, "8188": {"pro_comp_id": 5162, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "KEAP1_Q14145.pdb", "e3_lig_path": "KEAP1_Q14145_98_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "5162_protac.mol2", "smiles": "COC1=CC([C@@H](CC(=O)O)C2=CC=C(C)C(CN3C[C@@H](C)OC4=CC(CCCCCNC(=O)C[C@@H]5N=C(C6=CC=C(Cl)C=C6)C6=C(SC(C)=C6C)N6C(C)=NN=C56)=CC=C4S3(=O)=O)=C2)=CC2=C1N(C)N=N2", "label": -1}, "8189": {"pro_comp_id": 5163, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "KEAP1_Q14145.pdb", "e3_lig_path": "KEAP1_Q14145_98_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "5163_protac.mol2", "smiles": "COC1=CC([C@@H](CC(=O)O)C2=CC=C(C)C(CN3C[C@@H](C)OC4=CC(CCCOCCNC(=O)C[C@@H]5N=C(C6=CC=C(Cl)C=C6)C6=C(SC(C)=C6C)N6C(C)=NN=C56)=CC=C4S3(=O)=O)=C2)=CC2=C1N(C)N=N2", "label": -1}, "8190": {"pro_comp_id": 5164, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "KEAP1_Q14145.pdb", "e3_lig_path": "KEAP1_Q14145_98_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "5164_protac.mol2", "smiles": "COC1=CC([C@@H](CC(=O)O)C2=CC=C(C)C(CN3C[C@@H](C)OC4=CC(CCCOCCOCCNC(=O)C[C@@H]5N=C(C6=CC=C(Cl)C=C6)C6=C(SC(C)=C6C)N6C(C)=NN=C56)=CC=C4S3(=O)=O)=C2)=CC2=C1N(C)N=N2", "label": -1}, "8191": {"pro_comp_id": 5165, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "KEAP1_Q14145.pdb", "e3_lig_path": "KEAP1_Q14145_98_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "5165_protac.mol2", "smiles": "COC1=CC([C@@H](CC(=O)O)C2=CC=C(C)C(CN3C[C@@H](C)OC4=CC(CCCOCCOCCOCCNC(=O)C[C@@H]5N=C(C6=CC=C(Cl)C=C6)C6=C(SC(C)=C6C)N6C(C)=NN=C56)=CC=C4S3(=O)=O)=C2)=CC2=C1N(C)N=N2", "label": -1}, "8192": {"pro_comp_id": 5166, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "KEAP1_Q14145.pdb", "e3_lig_path": "KEAP1_Q14145_99_lig_smina_out.mol2", "war_path": "BTK_C481S_Q06187_135_lig_smina_out.mol2", "protac_path": "5166_protac.mol2", "smiles": "COC1=CC(C(CC(=O)O)C2=CC=C(C)C(CN(C)S(=O)(=O)C3=CC=C(OCCCCCCNC(=O)CN4CCN(C(=O)C5=CC=C(NC6=NC(C7=CC=CC(NC(=O)C8=CC=C(C(C)(C)C)C=C8)=C7C)=CN(C)C6=O)C=C5)CC4)C=C3)=C2)=CC2=C1N(C)N=N2", "label": -1}, "8193": {"pro_comp_id": 5167, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "KEAP1_Q14145.pdb", "e3_lig_path": "KEAP1_Q14145_98_lig_smina_out.mol2", "war_path": "BTK_C481S_Q06187_135_lig_smina_out.mol2", "protac_path": "5167_protac.mol2", "smiles": "COC1=CC(C(CC(=O)O)C2=CC=C(C)C(CN3C[C@@H](C)OC4=CC(CCCCCCN5CCN(C(=O)C6=CC=C(NC7=NC(C8=CC=CC(NC(=O)C9=CC=C(C(C)(C)C)C=C9)=C8C)=CN(C)C7=O)C=C6)CC5)=CC=C4S3(=O)=O)=C2)=CC2=C1N(C)N=N2", "label": -1}, "8194": {"pro_comp_id": 5168, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "KEAP1_Q14145.pdb", "e3_lig_path": "KEAP1_Q14145_98_lig_smina_out.mol2", "war_path": "BTK_C481S_Q06187_135_lig_smina_out.mol2", "protac_path": "5168_protac.mol2", "smiles": "COC1=CC(C(CC(=O)O)C2=CC=C(C)C(CN3C[C@@H](C)OC4=CC(CCCN5CCN(C(=O)C6=CC=C(NC7=NC(C8=CC=CC(NC(=O)C9=CC=C(C(C)(C)C)C=C9)=C8C)=CN(C)C7=O)C=C6)CC5)=CC=C4S3(=O)=O)=C2)=CC2=C1N(C)N=N2", "label": -1}, "8195": {"pro_comp_id": 5169, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "KEAP1_Q14145.pdb", "e3_lig_path": "KEAP1_Q14145_98_lig_smina_out.mol2", "war_path": "BTK_C481S_Q06187_135_lig_smina_out.mol2", "protac_path": "5169_protac.mol2", "smiles": "COC1=CC(C(CC(=O)O)C2=CC=C(C)C(CN3C[C@@H](C)OC4=CC(CCCCCC(=O)N5CCN(C(=O)C6=CC=C(NC7=NC(C8=CC=CC(NC(=O)C9=CC=C(C(C)(C)C)C=C9)=C8C)=CN(C)C7=O)C=C6)CC5)=CC=C4S3(=O)=O)=C2)=CC2=C1N(C)N=N2", "label": -1}, "8196": {"pro_comp_id": 5170, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "KEAP1_Q14145.pdb", "e3_lig_path": "KEAP1_Q14145_98_lig_smina_out.mol2", "war_path": "BTK_C481S_Q06187_135_lig_smina_out.mol2", "protac_path": "5170_protac.mol2", "smiles": "COC1=CC(C(CC(=O)O)C2=CC=C(C)C(CN3C[C@@H](C)OC4=CC(CCCNC(=O)CCCCCN5CCN(C(=O)C6=CC=C(NC7=NC(C8=CC=CC(NC(=O)C9=CC=C(C(C)(C)C)C=C9)=C8C)=CN(C)C7=O)C=C6)CC5)=CC=C4S3(=O)=O)=C2)=CC2=C1N(C)N=N2", "label": -1}, "8197": {"pro_comp_id": 5171, "tar_path": "KEAP1_Q14145.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_60_lig_smina_out.mol2", "war_path": "KEAP1_Q14145_416_lig_smina_out.mol2", "protac_path": "5171_protac.mol2", "smiles": "COC1=CC([C@@H](CC(=O)O)C2=CC=C(C)C(CN3C[C@@H](C)OC4=CC(CCCCCCNC(=O)COC5=CC6=C7C(=CC=CC7=C5)C(=O)N(C5CCC(=O)NC5=O)C6=O)=CC=C4S3(=O)=O)=C2)=CC2=C1N(C)N=N2", "label": -1}, "8198": {"pro_comp_id": 5172, "tar_path": "KEAP1_Q14145.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "KEAP1_Q14145_416_lig_smina_out.mol2", "protac_path": "5172_protac.mol2", "smiles": "COC1=CC([C@@H](CC(=O)O)C2=CC=C(C)C(CN3C[C@@H](C)OC4=CC(CCCCCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)=CC=C4S3(=O)=O)=C2)=CC2=C1N(C)N=N2", "label": -1}, "8199": {"pro_comp_id": 5173, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "5173_protac.mol2", "smiles": "CC1=NN(CC(=O)NCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C(C)=C1/N=N/C1=CC=C(CNC(=O)C[C@@H]2N=C(C3=CC=C(Cl)C=C3)C3=C(SC(C)=C3C)N3C(C)=NN=C23)C=C1", "label": -1}, "8200": {"pro_comp_id": 5173, "tar_path": "BRD2_P25440.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "BRD2_P25440_18_lig_smina_out.mol2", "protac_path": "5173_protac.mol2", "smiles": "CC1=NN(CC(=O)NCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C(C)=C1/N=N/C1=CC=C(CNC(=O)C[C@@H]2N=C(C3=CC=C(Cl)C=C3)C3=C(SC(C)=C3C)N3C(C)=NN=C23)C=C1", "label": -1}, "8201": {"pro_comp_id": 5174, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FAK_Q05397_516_lig_smina_out.mol2", "protac_path": "5174_protac.mol2", "smiles": "CNC(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(C(=O)CN4N=C(C)C(/N=N/C5=CC=C(CNC(=O)CCC(=O)NC6=CC=CC7=C6CN(C6CCC(=O)NC6=O)C7=O)C=C5)=C4C)CC3)C=C2)=NC=C1Cl", "label": -1}, "8202": {"pro_comp_id": 5174, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "AURKA_O14965_516_lig_smina_out.mol2", "protac_path": "5174_protac.mol2", "smiles": "CNC(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(C(=O)CN4N=C(C)C(/N=N/C5=CC=C(CNC(=O)CCC(=O)NC6=CC=CC7=C6CN(C6CCC(=O)NC6=O)C7=O)C=C5)=C4C)CC3)C=C2)=NC=C1Cl", "label": -1}, "8203": {"pro_comp_id": 5175, "tar_path": "STAT3_P40763.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STAT3_P40763_517_lig_smina_out.mol2", "protac_path": "5175_protac.mol2", "smiles": "CC1=CC=C(S(=O)(=O)OCC(=O)NC2=CC=C(C(=O)NCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)C=C1", "label": -1}, "8204": {"pro_comp_id": 5176, "tar_path": "STAT3_P40763.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STAT3_P40763_517_lig_smina_out.mol2", "protac_path": "5176_protac.mol2", "smiles": "CC1=CC=C(S(=O)(=O)OCC(=O)NC2=CC=C(C(=O)NCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)C=C1", "label": -1}, "8205": {"pro_comp_id": 5177, "tar_path": "STAT3_P40763.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STAT3_P40763_517_lig_smina_out.mol2", "protac_path": "5177_protac.mol2", "smiles": "CC1=CC=C(S(=O)(=O)OCC(=O)NC2=CC=C(C(=O)NCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)C=C1", "label": -1}, "8206": {"pro_comp_id": 5178, "tar_path": "STAT3_P40763.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STAT3_P40763_517_lig_smina_out.mol2", "protac_path": "5178_protac.mol2", "smiles": "CC1=CC=C(S(=O)(=O)OCC(=O)NC2=CC=C(C(=O)NCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)C=C1", "label": -1}, "8207": {"pro_comp_id": 5179, "tar_path": "STAT3_P40763.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "STAT3_P40763_517_lig_smina_out.mol2", "protac_path": "5179_protac.mol2", "smiles": "CC1=CC=C(S(=O)(=O)OCC(=O)NC2=CC=C(C(=O)N3CCN(C4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)C=C1", "label": -1}, "8208": {"pro_comp_id": 5180, "tar_path": "STAT3_P40763.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "STAT3_P40763_517_lig_smina_out.mol2", "protac_path": "5180_protac.mol2", "smiles": "CC1=CC=C(S(=O)(=O)OCC(=O)NC2=CC=C(C(=O)NCCCC(=O)N3CCN(C4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)C=C1", "label": -1}, "8209": {"pro_comp_id": 5181, "tar_path": "STAT3_P40763.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "STAT3_P40763_517_lig_smina_out.mol2", "protac_path": "5181_protac.mol2", "smiles": "CC1=CC=C(S(=O)(=O)OCC(=O)NC2=CC=C(C(=O)NCCCCCC(=O)N3CCN(C4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)C=C1", "label": -1}, "8210": {"pro_comp_id": 5182, "tar_path": "STAT3_P40763.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "STAT3_P40763_517_lig_smina_out.mol2", "protac_path": "5182_protac.mol2", "smiles": "CC1=CC=C(S(=O)(=O)OCC(=O)NC2=CC=C(C(=O)NCCCCCCCC(=O)N3CCN(C4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)C=C1", "label": -1}, "8211": {"pro_comp_id": 5183, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "5183_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOCCOC5=CC=CC(CN6CCC(C7=CC=C8CN(C9CCC(=O)NC9=O)C(=O)C8=C7)CC6)=C5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "8212": {"pro_comp_id": 5183, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "5183_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOCCOC5=CC=CC(CN6CCC(C7=CC=C8CN(C9CCC(=O)NC9=O)C(=O)C8=C7)CC6)=C5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "8213": {"pro_comp_id": 5184, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "5184_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOCCOC5=CC=C(CN6CCC(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)CC8=C7)CC6)C=C5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "8214": {"pro_comp_id": 5184, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "5184_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOCCOC5=CC=C(CN6CCC(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)CC8=C7)CC6)C=C5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "8215": {"pro_comp_id": 5185, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "5185_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOCCOCCOC5=CC=CC(CN6CCC(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)CC8=C7)CC6)=C5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "8216": {"pro_comp_id": 5185, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "5185_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOCCOCCOC5=CC=CC(CN6CCC(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)CC8=C7)CC6)=C5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "8217": {"pro_comp_id": 5186, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "5186_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOCCOCCOC5=CC=C(CN6CCC(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)CC8=C7)CC6)C=C5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "8218": {"pro_comp_id": 5186, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "5186_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOCCOCCOC5=CC=C(CN6CCC(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)CC8=C7)CC6)C=C5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "8219": {"pro_comp_id": 5187, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "5187_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCCCOC5=CC=CC(CN6CCC(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)CC8=C7)CC6)=C5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "8220": {"pro_comp_id": 5187, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "5187_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCCCOC5=CC=CC(CN6CCC(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)CC8=C7)CC6)=C5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "8221": {"pro_comp_id": 5188, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "5188_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCCCOC5=CC=C(CN6CCC(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)CC8=C7)CC6)C=C5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "8222": {"pro_comp_id": 5188, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "5188_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCCCOC5=CC=C(CN6CCC(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)CC8=C7)CC6)C=C5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "8223": {"pro_comp_id": 5189, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "5189_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCCCCCOC5=CC=CC(CN6CCC(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)CC8=C7)CC6)=C5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "8224": {"pro_comp_id": 5189, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "5189_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCCCCCOC5=CC=CC(CN6CCC(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)CC8=C7)CC6)=C5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "8225": {"pro_comp_id": 5190, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "CDK4_P11802_32_lig_smina_out.mol2", "protac_path": "5190_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOC5=CC=C(CN6CCC(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)CC8=C7)CC6)C=C5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "8226": {"pro_comp_id": 5190, "tar_path": "CDK6_Q00534.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "CDK6_Q00534_32_lig_smina_out.mol2", "protac_path": "5190_protac.mol2", "smiles": "CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOC5=CC=C(CN6CCC(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)CC8=C7)CC6)C=C5)CC4)C=N3)N=C2N(C2CCCC2)C1=O", "label": -1}, "8233": {"pro_comp_id": 5194, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_518_lig_smina_out.mol2", "protac_path": "5194_protac.mol2", "smiles": "CNC1=NC(NC2=CC=C(C(=O)N3CCN(CCOCCOCCOCCOCCSC(C)(C)[C@H](NC(=O)C4(F)CC4)C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8234": {"pro_comp_id": 5194, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_518_lig_smina_out.mol2", "protac_path": "5194_protac.mol2", "smiles": "CNC1=NC(NC2=CC=C(C(=O)N3CCN(CCOCCOCCOCCOCCSC(C)(C)[C@H](NC(=O)C4(F)CC4)C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8235": {"pro_comp_id": 5195, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_518_lig_smina_out.mol2", "protac_path": "5195_protac.mol2", "smiles": "CNC1=NC(NC2=CC=C(C(=O)N3CCN(CCOCCOCCSC(C)(C)[C@H](NC(=O)C4(F)CC4)C(=O)N4C[C@H](O)C[C@@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8236": {"pro_comp_id": 5195, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_518_lig_smina_out.mol2", "protac_path": "5195_protac.mol2", "smiles": "CNC1=NC(NC2=CC=C(C(=O)N3CCN(CCOCCOCCSC(C)(C)[C@H](NC(=O)C4(F)CC4)C(=O)N4C[C@H](O)C[C@@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8237": {"pro_comp_id": 5196, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_518_lig_smina_out.mol2", "protac_path": "5196_protac.mol2", "smiles": "CNC1=NC(NC2=CC=C(C(=O)N3CCN(CCCSC(C)(C)[C@H](NC(=O)C4(F)CC4)C(=O)N4C[C@H](O)C[C@@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8238": {"pro_comp_id": 5196, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_518_lig_smina_out.mol2", "protac_path": "5196_protac.mol2", "smiles": "CNC1=NC(NC2=CC=C(C(=O)N3CCN(CCCSC(C)(C)[C@H](NC(=O)C4(F)CC4)C(=O)N4C[C@H](O)C[C@@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8239": {"pro_comp_id": 5197, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_518_lig_smina_out.mol2", "protac_path": "5197_protac.mol2", "smiles": "CNC1=NC(NC2=CC=C(C(=O)N3CCN(CC4=CC=C(CSC(C)(C)[C@H](NC(=O)C5(F)CC5)C(=O)N5C[C@H](O)C[C@@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C=C4)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8240": {"pro_comp_id": 5197, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_518_lig_smina_out.mol2", "protac_path": "5197_protac.mol2", "smiles": "CNC1=NC(NC2=CC=C(C(=O)N3CCN(CC4=CC=C(CSC(C)(C)[C@H](NC(=O)C5(F)CC5)C(=O)N5C[C@H](O)C[C@@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C=C4)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8241": {"pro_comp_id": 5198, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_518_lig_smina_out.mol2", "protac_path": "5198_protac.mol2", "smiles": "CNC1=NC(NC2=CC=C(C(=O)N3CCN(CCOCCOCCN4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8242": {"pro_comp_id": 5198, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_518_lig_smina_out.mol2", "protac_path": "5198_protac.mol2", "smiles": "CNC1=NC(NC2=CC=C(C(=O)N3CCN(CCOCCOCCN4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8243": {"pro_comp_id": 5199, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_518_lig_smina_out.mol2", "protac_path": "5199_protac.mol2", "smiles": "CNC1=NC(NC2=CC=C(C(=O)N3CCN(CCCN4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8244": {"pro_comp_id": 5199, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_518_lig_smina_out.mol2", "protac_path": "5199_protac.mol2", "smiles": "CNC1=NC(NC2=CC=C(C(=O)N3CCN(CCCN4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8251": {"pro_comp_id": 5203, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_518_lig_smina_out.mol2", "protac_path": "5203_protac.mol2", "smiles": "CNC1=NC(NC2=CC=C(C(=O)N3CCN(CCOCCOCCSC(C)(C)[C@@H](NC(=O)C4(F)CC4)C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)CC3)C=C2OC)=NC=C1C(F)(F)F", "label": -1}, "8252": {"pro_comp_id": 5203, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_518_lig_smina_out.mol2", "protac_path": "5203_protac.mol2", "smiles": "CNC1=NC(NC2=CC=C(C(=O)N3CCN(CCOCCOCCSC(C)(C)[C@@H](NC(=O)C4(F)CC4)C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)CC3)C=C2OC)=NC=C1C(F)(F)F", "label": -1}, "8253": {"pro_comp_id": 5204, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_518_lig_smina_out.mol2", "protac_path": "5204_protac.mol2", "smiles": "CNC1=NC(NC2=CC=C(C(=O)N3CCN(CCCSC(C)(C)[C@H](NC(=O)C4(F)CC4)C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)CC3)C=C2OC)=NC=C1C(F)(F)F", "label": -1}, "8254": {"pro_comp_id": 5204, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_518_lig_smina_out.mol2", "protac_path": "5204_protac.mol2", "smiles": "CNC1=NC(NC2=CC=C(C(=O)N3CCN(CCCSC(C)(C)[C@H](NC(=O)C4(F)CC4)C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)CC3)C=C2OC)=NC=C1C(F)(F)F", "label": -1}, "8255": {"pro_comp_id": 5205, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_518_lig_smina_out.mol2", "protac_path": "5205_protac.mol2", "smiles": "CNC1=NC(NC2=CC=C(C(=O)N3CCN(CC4=CC=C(CSC(C)(C)[C@H](NC(=O)C5(F)CC5)C(=O)N5C[C@H](O)C[C@@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C=C4)CC3)C=C2OC)=NC=C1C(F)(F)F", "label": -1}, "8256": {"pro_comp_id": 5205, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_518_lig_smina_out.mol2", "protac_path": "5205_protac.mol2", "smiles": "CNC1=NC(NC2=CC=C(C(=O)N3CCN(CC4=CC=C(CSC(C)(C)[C@H](NC(=O)C5(F)CC5)C(=O)N5C[C@H](O)C[C@@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C=C4)CC3)C=C2OC)=NC=C1C(F)(F)F", "label": -1}, "8257": {"pro_comp_id": 5206, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_518_lig_smina_out.mol2", "protac_path": "5206_protac.mol2", "smiles": "CNC1=NC(NC2=CC=C(C(=O)N3CCN(CCOCCOCCSC(C)(C)[C@H](NC(=O)C4(F)CC4)C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8258": {"pro_comp_id": 5206, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_518_lig_smina_out.mol2", "protac_path": "5206_protac.mol2", "smiles": "CNC1=NC(NC2=CC=C(C(=O)N3CCN(CCOCCOCCSC(C)(C)[C@H](NC(=O)C4(F)CC4)C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8259": {"pro_comp_id": 5207, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_518_lig_smina_out.mol2", "protac_path": "5207_protac.mol2", "smiles": "CNC1=NC(NC2=CC=C(C(=O)N3CCN(CCCSC(C)(C)[C@H](NC(=O)C4(F)CC4)C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8260": {"pro_comp_id": 5207, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_518_lig_smina_out.mol2", "protac_path": "5207_protac.mol2", "smiles": "CNC1=NC(NC2=CC=C(C(=O)N3CCN(CCCSC(C)(C)[C@H](NC(=O)C4(F)CC4)C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8261": {"pro_comp_id": 5208, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_518_lig_smina_out.mol2", "protac_path": "5208_protac.mol2", "smiles": "CNC1=NC(NC2=CC=C(C(=O)N3CCN(CC4=CC=C(CSC(C)(C)[C@H](NC(=O)C5(F)CC5)C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C=C4)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8262": {"pro_comp_id": 5208, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_518_lig_smina_out.mol2", "protac_path": "5208_protac.mol2", "smiles": "CNC1=NC(NC2=CC=C(C(=O)N3CCN(CC4=CC=C(CSC(C)(C)[C@H](NC(=O)C5(F)CC5)C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C=C4)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8263": {"pro_comp_id": 5209, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_518_lig_smina_out.mol2", "protac_path": "5209_protac.mol2", "smiles": "CNC1=NC(NC2=CC=C(C(=O)N3CCN(CCOCCOCCSC(C)(C)[C@H](NC(=O)C4(F)CC4)C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C(F)=C4)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8264": {"pro_comp_id": 5209, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_518_lig_smina_out.mol2", "protac_path": "5209_protac.mol2", "smiles": "CNC1=NC(NC2=CC=C(C(=O)N3CCN(CCOCCOCCSC(C)(C)[C@H](NC(=O)C4(F)CC4)C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C(F)=C4)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8265": {"pro_comp_id": 5210, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_518_lig_smina_out.mol2", "protac_path": "5210_protac.mol2", "smiles": "CNC1=NC(NC2=CC=C(C(=O)N3CCN(CCCSC(C)(C)[C@H](NC(=O)C4(F)CC4)C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C(F)=C4)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8266": {"pro_comp_id": 5210, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_518_lig_smina_out.mol2", "protac_path": "5210_protac.mol2", "smiles": "CNC1=NC(NC2=CC=C(C(=O)N3CCN(CCCSC(C)(C)[C@H](NC(=O)C4(F)CC4)C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C(F)=C4)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8267": {"pro_comp_id": 5211, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_518_lig_smina_out.mol2", "protac_path": "5211_protac.mol2", "smiles": "CNC1=NC(NC2=CC=C(C(=O)N3CCN(CC4=CC=C(CSC(C)(C)[C@H](NC(=O)C5(F)CC5)C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C(F)=C5)C=C4)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8268": {"pro_comp_id": 5211, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_518_lig_smina_out.mol2", "protac_path": "5211_protac.mol2", "smiles": "CNC1=NC(NC2=CC=C(C(=O)N3CCN(CC4=CC=C(CSC(C)(C)[C@H](NC(=O)C5(F)CC5)C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C(F)=C5)C=C4)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8269": {"pro_comp_id": 5212, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_518_lig_smina_out.mol2", "protac_path": "5212_protac.mol2", "smiles": "CNC1=NC(NC2=CC=C(C(=O)N3CCN(CCOCCSC(C)(C)[C@H](NC(=O)C4(F)CC4)C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8270": {"pro_comp_id": 5212, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_518_lig_smina_out.mol2", "protac_path": "5212_protac.mol2", "smiles": "CNC1=NC(NC2=CC=C(C(=O)N3CCN(CCOCCSC(C)(C)[C@H](NC(=O)C4(F)CC4)C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8271": {"pro_comp_id": 5213, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_518_lig_smina_out.mol2", "protac_path": "5213_protac.mol2", "smiles": "CNC1=NC(NC2=CC=C(C(=O)N3CCN(C[C@H](C)SC(C)(C)[C@H](NC(=O)C4(F)CC4)C(=O)N4C[C@H](O)C[C@@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8272": {"pro_comp_id": 5213, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_518_lig_smina_out.mol2", "protac_path": "5213_protac.mol2", "smiles": "CNC1=NC(NC2=CC=C(C(=O)N3CCN(C[C@H](C)SC(C)(C)[C@H](NC(=O)C4(F)CC4)C(=O)N4C[C@H](O)C[C@@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8273": {"pro_comp_id": 5214, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_518_lig_smina_out.mol2", "protac_path": "5214_protac.mol2", "smiles": "CNC1=NC(NC2=CC=C(C(=O)N3CCN(CC4=CC=CC(CSC(C)(C)[C@H](NC(=O)C5(F)CC5)C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)=C4)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8274": {"pro_comp_id": 5214, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_518_lig_smina_out.mol2", "protac_path": "5214_protac.mol2", "smiles": "CNC1=NC(NC2=CC=C(C(=O)N3CCN(CC4=CC=CC(CSC(C)(C)[C@H](NC(=O)C5(F)CC5)C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)=C4)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8275": {"pro_comp_id": 5215, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_518_lig_smina_out.mol2", "protac_path": "5215_protac.mol2", "smiles": "CNC1=NC(NC2=CC=C(C(=O)N3CCN(C[C@H]4CC[C@H](CSC(C)(C)[C@H](NC(=O)C5(F)CC5)C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)CC4)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8276": {"pro_comp_id": 5215, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_518_lig_smina_out.mol2", "protac_path": "5215_protac.mol2", "smiles": "CNC1=NC(NC2=CC=C(C(=O)N3CCN(C[C@H]4CC[C@H](CSC(C)(C)[C@H](NC(=O)C5(F)CC5)C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)CC4)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8277": {"pro_comp_id": 5216, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_518_lig_smina_out.mol2", "protac_path": "5216_protac.mol2", "smiles": "CNC1=NC(NC2=CC=C(C(=O)N3CCN(C[C@H]4CC[C@@H](CSC(C)(C)[C@H](NC(=O)C5(F)CC5)C(=O)N5C[C@H](O)C[C@@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)CC4)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8278": {"pro_comp_id": 5216, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_518_lig_smina_out.mol2", "protac_path": "5216_protac.mol2", "smiles": "CNC1=NC(NC2=CC=C(C(=O)N3CCN(C[C@H]4CC[C@@H](CSC(C)(C)[C@H](NC(=O)C5(F)CC5)C(=O)N5C[C@H](O)C[C@@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)CC4)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8279": {"pro_comp_id": 5217, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_518_lig_smina_out.mol2", "protac_path": "5217_protac.mol2", "smiles": "CNC1=NC(NC2=CC=C(C(=O)N3CCN(CC#CCSC(C)(C)[C@H](NC(=O)C4(F)CC4)C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8280": {"pro_comp_id": 5217, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_518_lig_smina_out.mol2", "protac_path": "5217_protac.mol2", "smiles": "CNC1=NC(NC2=CC=C(C(=O)N3CCN(CC#CCSC(C)(C)[C@H](NC(=O)C4(F)CC4)C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8281": {"pro_comp_id": 5218, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_518_lig_smina_out.mol2", "protac_path": "5218_protac.mol2", "smiles": "CNC1=NC(NC2=CC=C(OCCOCCOCCOCCSC(C)(C)[C@@H](NC(=O)C3(F)CC3)C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C=C2OC)=NC=C1Cl", "label": -1}, "8282": {"pro_comp_id": 5218, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_518_lig_smina_out.mol2", "protac_path": "5218_protac.mol2", "smiles": "CNC1=NC(NC2=CC=C(OCCOCCOCCOCCSC(C)(C)[C@@H](NC(=O)C3(F)CC3)C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C=C2OC)=NC=C1Cl", "label": -1}, "8283": {"pro_comp_id": 5219, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_518_lig_smina_out.mol2", "protac_path": "5219_protac.mol2", "smiles": "CNC1=NC(NC2=CC=C(OCCOCCCSC(C)(C)[C@@H](NC(=O)C3(F)CC3)C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C=C2OC)=NC=C1Cl", "label": -1}, "8284": {"pro_comp_id": 5219, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_518_lig_smina_out.mol2", "protac_path": "5219_protac.mol2", "smiles": "CNC1=NC(NC2=CC=C(OCCOCCCSC(C)(C)[C@@H](NC(=O)C3(F)CC3)C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C=C2OC)=NC=C1Cl", "label": -1}, "8285": {"pro_comp_id": 5220, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_518_lig_smina_out.mol2", "protac_path": "5220_protac.mol2", "smiles": "CNC1=NC(NC2=CC=C(OC[C@H]3CC[C@H](CSC(C)(C)[C@@H](NC(=O)C4(F)CC4)C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8286": {"pro_comp_id": 5220, "tar_path": "LRRK2_Q5S007.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_14_lig_smina_out.mol2", "war_path": "LRRK2_G2019S_Q5S007_518_lig_smina_out.mol2", "protac_path": "5220_protac.mol2", "smiles": "CNC1=NC(NC2=CC=C(OC[C@H]3CC[C@H](CSC(C)(C)[C@@H](NC(=O)C4(F)CC4)C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8287": {"pro_comp_id": 5221, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_179_lig_smina_out.mol2", "protac_path": "5221_protac.mol2", "smiles": "CN(C1=CC=CC=C1CNC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O", "label": -1}, "8288": {"pro_comp_id": 5222, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_179_lig_smina_out.mol2", "protac_path": "5222_protac.mol2", "smiles": "CN(C1=CC=CC=C1CNC1=NC(NC2=CC=C(N3CCN(CCCOCCC(=O)NCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O", "label": -1}, "8289": {"pro_comp_id": 5223, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_179_lig_smina_out.mol2", "protac_path": "5223_protac.mol2", "smiles": "CN(C1=CC=CC=C1CNC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O", "label": -1}, "8290": {"pro_comp_id": 5224, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_179_lig_smina_out.mol2", "protac_path": "5224_protac.mol2", "smiles": "CN(C1=CC=CC=C1CNC1=NC(NC2=CC=C(N3CCN(CCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O", "label": -1}, "8291": {"pro_comp_id": 5225, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_179_lig_smina_out.mol2", "protac_path": "5225_protac.mol2", "smiles": "CN(C1=CC=CC=C1CNC1=NC(NC2=CC=C(N3CCN(CCCCC(=O)NC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O", "label": -1}, "8292": {"pro_comp_id": 5226, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_179_lig_smina_out.mol2", "protac_path": "5226_protac.mol2", "smiles": "CN(C1=CC=CC=C1CNC1=NC(NC2=CC=C(N3CCN(CCCCCC(=O)NC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O", "label": -1}, "8293": {"pro_comp_id": 5227, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_179_lig_smina_out.mol2", "protac_path": "5227_protac.mol2", "smiles": "CN(C1=CC=CC=C1CNC1=NC(NC2=CC=C(N3CCN(CCCCCCC(=O)NC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O", "label": -1}, "8294": {"pro_comp_id": 5228, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_179_lig_smina_out.mol2", "protac_path": "5228_protac.mol2", "smiles": "CN(C1=CC=CC=C1CNC1=NC(NC2=CC=C(N3CCN(CCCCCCCC(=O)NC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O", "label": -1}, "8295": {"pro_comp_id": 5229, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_179_lig_smina_out.mol2", "protac_path": "5229_protac.mol2", "smiles": "CN(C1=CC=CC=C1CNC1=NC(NC2=CC=C(N3CCN(CCCCCCCCC(=O)NC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O", "label": -1}, "8296": {"pro_comp_id": 5230, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_179_lig_smina_out.mol2", "protac_path": "5230_protac.mol2", "smiles": "CN(C1=CC=CC=C1CNC1=NC(NC2=CC=C(N3CCN(CCCCCCCCCC(=O)NC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O", "label": -1}, "8297": {"pro_comp_id": 5231, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_179_lig_smina_out.mol2", "protac_path": "5231_protac.mol2", "smiles": "CN(C1=CC=CC=C1CNC1=NC(NC2=CC=C(N3CCN(CCCCC(=O)NCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O", "label": -1}, "8298": {"pro_comp_id": 5232, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_179_lig_smina_out.mol2", "protac_path": "5232_protac.mol2", "smiles": "CN(C1=CC=CC=C1CNC1=NC(NC2=CC=C(N3CCN(CCCCCC(=O)NCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O", "label": -1}, "8299": {"pro_comp_id": 5233, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_179_lig_smina_out.mol2", "protac_path": "5233_protac.mol2", "smiles": "CN(C1=CC=CC=C1CNC1=NC(NC2=CC=C(N3CCN(CCCCCCC(=O)NCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O", "label": -1}, "8300": {"pro_comp_id": 5234, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_179_lig_smina_out.mol2", "protac_path": "5234_protac.mol2", "smiles": "CN(C1=CC=CC=C1CNC1=NC(NC2=CC=C(N3CCN(CCCCCCCC(=O)NCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O", "label": -1}, "8301": {"pro_comp_id": 5235, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_179_lig_smina_out.mol2", "protac_path": "5235_protac.mol2", "smiles": "CN(C1=CC=CC=C1CNC1=NC(NC2=CC=C(N3CCN(CCCCCCCCCC(=O)NCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O", "label": -1}, "8308": {"pro_comp_id": 5238, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_519_lig_smina_out.mol2", "protac_path": "5238_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)CC2)N=C1", "label": -1}, "8309": {"pro_comp_id": 5238, "tar_path": "CDK13_Q14004.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK13_Q14004_519_lig_smina_out.mol2", "protac_path": "5238_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)CC2)N=C1", "label": -1}, "8310": {"pro_comp_id": 5239, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_519_lig_smina_out.mol2", "protac_path": "5239_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)CC2)N=C1", "label": -1}, "8311": {"pro_comp_id": 5239, "tar_path": "CDK13_Q14004.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK13_Q14004_519_lig_smina_out.mol2", "protac_path": "5239_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)CC2)N=C1", "label": -1}, "8312": {"pro_comp_id": 5240, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_519_lig_smina_out.mol2", "protac_path": "5240_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)CC2)N=C1", "label": -1}, "8313": {"pro_comp_id": 5240, "tar_path": "CDK13_Q14004.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK13_Q14004_519_lig_smina_out.mol2", "protac_path": "5240_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)CC2)N=C1", "label": -1}, "8314": {"pro_comp_id": 5241, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_519_lig_smina_out.mol2", "protac_path": "5241_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)CC2)N=C1", "label": -1}, "8315": {"pro_comp_id": 5241, "tar_path": "CDK13_Q14004.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK13_Q14004_519_lig_smina_out.mol2", "protac_path": "5241_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)CC2)N=C1", "label": -1}, "8316": {"pro_comp_id": 5242, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_519_lig_smina_out.mol2", "protac_path": "5242_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)CC2)N=C1", "label": -1}, "8317": {"pro_comp_id": 5242, "tar_path": "CDK13_Q14004.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK13_Q14004_519_lig_smina_out.mol2", "protac_path": "5242_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)CC2)N=C1", "label": -1}, "8318": {"pro_comp_id": 5243, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_519_lig_smina_out.mol2", "protac_path": "5243_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)CC2)N=C1", "label": -1}, "8319": {"pro_comp_id": 5243, "tar_path": "CDK13_Q14004.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK13_Q14004_519_lig_smina_out.mol2", "protac_path": "5243_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)CC2)N=C1", "label": -1}, "8320": {"pro_comp_id": 5244, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_519_lig_smina_out.mol2", "protac_path": "5244_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)CC2)N=C1", "label": -1}, "8321": {"pro_comp_id": 5244, "tar_path": "CDK13_Q14004.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK13_Q14004_519_lig_smina_out.mol2", "protac_path": "5244_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)CC2)N=C1", "label": -1}, "8322": {"pro_comp_id": 5245, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_519_lig_smina_out.mol2", "protac_path": "5245_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)CC2)N=C1", "label": -1}, "8323": {"pro_comp_id": 5245, "tar_path": "CDK13_Q14004.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK13_Q14004_519_lig_smina_out.mol2", "protac_path": "5245_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)CC2)N=C1", "label": -1}, "8324": {"pro_comp_id": 5246, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_519_lig_smina_out.mol2", "protac_path": "5246_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCCCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)CC2)N=C1", "label": -1}, "8325": {"pro_comp_id": 5246, "tar_path": "CDK13_Q14004.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK13_Q14004_519_lig_smina_out.mol2", "protac_path": "5246_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCCCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)CC2)N=C1", "label": -1}, "8326": {"pro_comp_id": 5247, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_519_lig_smina_out.mol2", "protac_path": "5247_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1", "label": -1}, "8327": {"pro_comp_id": 5247, "tar_path": "CDK13_Q14004.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK13_Q14004_519_lig_smina_out.mol2", "protac_path": "5247_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1", "label": -1}, "8328": {"pro_comp_id": 5248, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_519_lig_smina_out.mol2", "protac_path": "5248_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(C(=O)C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1", "label": -1}, "8329": {"pro_comp_id": 5248, "tar_path": "CDK13_Q14004.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK13_Q14004_519_lig_smina_out.mol2", "protac_path": "5248_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(C(=O)C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1", "label": -1}, "8330": {"pro_comp_id": 5249, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_519_lig_smina_out.mol2", "protac_path": "5249_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(C(=O)NC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1", "label": -1}, "8331": {"pro_comp_id": 5249, "tar_path": "CDK13_Q14004.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK13_Q14004_519_lig_smina_out.mol2", "protac_path": "5249_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(C(=O)NC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1", "label": -1}, "8332": {"pro_comp_id": 5250, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_519_lig_smina_out.mol2", "protac_path": "5250_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CC(=O)NC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1", "label": -1}, "8333": {"pro_comp_id": 5250, "tar_path": "CDK13_Q14004.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK13_Q14004_519_lig_smina_out.mol2", "protac_path": "5250_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CC(=O)NC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1", "label": -1}, "8334": {"pro_comp_id": 5251, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_519_lig_smina_out.mol2", "protac_path": "5251_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCC(=O)NC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1", "label": -1}, "8335": {"pro_comp_id": 5251, "tar_path": "CDK13_Q14004.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK13_Q14004_519_lig_smina_out.mol2", "protac_path": "5251_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCC(=O)NC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1", "label": -1}, "8336": {"pro_comp_id": 5252, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_519_lig_smina_out.mol2", "protac_path": "5252_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCCCC(=O)NC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1", "label": -1}, "8337": {"pro_comp_id": 5252, "tar_path": "CDK13_Q14004.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK13_Q14004_519_lig_smina_out.mol2", "protac_path": "5252_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCCCC(=O)NC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1", "label": -1}, "8338": {"pro_comp_id": 5253, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_519_lig_smina_out.mol2", "protac_path": "5253_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCCCCC(=O)NC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1", "label": -1}, "8339": {"pro_comp_id": 5253, "tar_path": "CDK13_Q14004.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK13_Q14004_519_lig_smina_out.mol2", "protac_path": "5253_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCCCCC(=O)NC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1", "label": -1}, "8340": {"pro_comp_id": 5254, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_519_lig_smina_out.mol2", "protac_path": "5254_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCCCCCCC(=O)NC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1", "label": -1}, "8341": {"pro_comp_id": 5254, "tar_path": "CDK13_Q14004.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK13_Q14004_519_lig_smina_out.mol2", "protac_path": "5254_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCCCCCCC(=O)NC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1", "label": -1}, "8342": {"pro_comp_id": 5255, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_519_lig_smina_out.mol2", "protac_path": "5255_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCCCCCCCCC(=O)NC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1", "label": -1}, "8343": {"pro_comp_id": 5255, "tar_path": "CDK13_Q14004.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK13_Q14004_519_lig_smina_out.mol2", "protac_path": "5255_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCCCCCCCCC(=O)NC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1", "label": -1}, "8344": {"pro_comp_id": 5256, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_519_lig_smina_out.mol2", "protac_path": "5256_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(C(=O)C#CC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1", "label": -1}, "8345": {"pro_comp_id": 5256, "tar_path": "CDK13_Q14004.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK13_Q14004_519_lig_smina_out.mol2", "protac_path": "5256_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(C(=O)C#CC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1", "label": -1}, "8346": {"pro_comp_id": 5257, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_519_lig_smina_out.mol2", "protac_path": "5257_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(C(=O)/C=C/C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1", "label": -1}, "8347": {"pro_comp_id": 5257, "tar_path": "CDK13_Q14004.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK13_Q14004_519_lig_smina_out.mol2", "protac_path": "5257_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(C(=O)/C=C/C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1", "label": -1}, "8348": {"pro_comp_id": 5258, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_519_lig_smina_out.mol2", "protac_path": "5258_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(C(=O)C5CC5C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1", "label": -1}, "8349": {"pro_comp_id": 5258, "tar_path": "CDK13_Q14004.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK13_Q14004_519_lig_smina_out.mol2", "protac_path": "5258_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(C(=O)C5CC5C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1", "label": -1}, "8350": {"pro_comp_id": 5259, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_519_lig_smina_out.mol2", "protac_path": "5259_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(C(=O)CCC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1", "label": -1}, "8351": {"pro_comp_id": 5259, "tar_path": "CDK13_Q14004.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK13_Q14004_519_lig_smina_out.mol2", "protac_path": "5259_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(C(=O)CCC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1", "label": -1}, "8352": {"pro_comp_id": 5260, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_519_lig_smina_out.mol2", "protac_path": "5260_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(C(=O)COC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1", "label": -1}, "8353": {"pro_comp_id": 5260, "tar_path": "CDK13_Q14004.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK13_Q14004_519_lig_smina_out.mol2", "protac_path": "5260_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(C(=O)COC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1", "label": -1}, "8354": {"pro_comp_id": 5261, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_519_lig_smina_out.mol2", "protac_path": "5261_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(C(=O)CNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1", "label": -1}, "8355": {"pro_comp_id": 5261, "tar_path": "CDK13_Q14004.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "CDK13_Q14004_519_lig_smina_out.mol2", "protac_path": "5261_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(C(=O)CNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1", "label": -1}, "8356": {"pro_comp_id": 5262, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_519_lig_smina_out.mol2", "protac_path": "5262_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(C(=O)CNC5=CC=C6CN(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1", "label": -1}, "8357": {"pro_comp_id": 5262, "tar_path": "CDK13_Q14004.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "CDK13_Q14004_519_lig_smina_out.mol2", "protac_path": "5262_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(C(=O)CNC5=CC=C6CN(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1", "label": -1}, "8358": {"pro_comp_id": 5263, "tar_path": "CDK12_Q9NYV4.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "CDK12_Q9NYV4_519_lig_smina_out.mol2", "protac_path": "5263_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(C(=O)CNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)CC6=C5)CC4)C=C3)CC2)N=C1", "label": -1}, "8359": {"pro_comp_id": 5263, "tar_path": "CDK13_Q14004.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "CDK13_Q14004_519_lig_smina_out.mol2", "protac_path": "5263_protac.mol2", "smiles": "N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(C(=O)CNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)CC6=C5)CC4)C=C3)CC2)N=C1", "label": -1}, "8360": {"pro_comp_id": 5264, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GPX4_P36969_426_lig_smina_out.mol2", "protac_path": "5264_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCN4C=C(COC5=CC=C(N(C(=O)CCl)C(C(=O)NCCC6=CC=CC=C6)C6=CC=CS6)C=C5Cl)N=N4)=C3C2=O)C(=O)N1", "label": -1}, "8361": {"pro_comp_id": 5265, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GPX4_P36969_426_lig_smina_out.mol2", "protac_path": "5265_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOCCN4C=C(COC5=CC=C(N(C(=O)CCl)C(C(=O)NCCC6=CC=CC=C6)C6=CC=CS6)C=C5Cl)N=N4)=C3C2=O)C(=O)N1", "label": -1}, "8362": {"pro_comp_id": 5266, "tar_path": "NSD2_O96028.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "NSD2_O96028_520_lig_smina_out.mol2", "protac_path": "5266_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCNC(=O)C3=CC=C(NC(=O)C4=CC=C(CN(C(=O)C5=CC=C6NC(=O)COC6=C5)C5CC5)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8363": {"pro_comp_id": 5267, "tar_path": "NSD2_O96028.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "NSD2_O96028_520_lig_smina_out.mol2", "protac_path": "5267_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCNC(=O)C3=CC=C(NC(=O)C4=CC=C(CN(C(=O)C5=CC=C6NC(=O)COC6=C5)C5CC5)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8364": {"pro_comp_id": 5268, "tar_path": "NSD2_O96028.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "NSD2_O96028_520_lig_smina_out.mol2", "protac_path": "5268_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCNC(=O)C4=CC=C(NC(=O)C5=CC=C(CN(C(=O)C6=CC=C7NC(=O)COC7=C6)C6CC6)C=C5)C=C4)=C3C2=O)C(=O)N1", "label": -1}, "8365": {"pro_comp_id": 5269, "tar_path": "NSD2_O96028.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "NSD2_O96028_520_lig_smina_out.mol2", "protac_path": "5269_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCNC(=O)C4=CC=C(NC(=O)C5=CC=C(CN(C(=O)C6=CC=C7NC(=O)COC7=C6)C6CC6)C=C5)C=C4)=C3C2=O)C(=O)N1", "label": -1}, "8366": {"pro_comp_id": 5270, "tar_path": "NSD2_O96028.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "NSD2_O96028_520_lig_smina_out.mol2", "protac_path": "5270_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCC(=O)NCCCOC3=CC=C(NC(=O)C4=CC=C(CN(C(=O)C5=CC=C6NC(=O)COC6=C5)C5CC5)C=C4)N=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8367": {"pro_comp_id": 5271, "tar_path": "NSD2_O96028.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "NSD2_O96028_520_lig_smina_out.mol2", "protac_path": "5271_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCC(=O)NCCCOC3=CC=C(NC(=O)C4=CC=C(CN(C(=O)C5=CC=C6NC(=O)COC6=C5)C5CC5)C=C4)N=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8368": {"pro_comp_id": 5272, "tar_path": "NSD2_O96028.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "NSD2_O96028_520_lig_smina_out.mol2", "protac_path": "5272_protac.mol2", "smiles": "O=C(CCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCOC1=CC=C(NC(=O)C2=CC=C(CN(C(=O)C3=CC=C4NC(=O)COC4=C3)C3CC3)C=C2)N=C1", "label": -1}, "8369": {"pro_comp_id": 5273, "tar_path": "NSD2_O96028.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "NSD2_O96028_520_lig_smina_out.mol2", "protac_path": "5273_protac.mol2", "smiles": "O=C(CCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCOC1=CC=C(NC(=O)C2=CC=C(CN(C(=O)C3=CC=C4NC(=O)COC4=C3)C3CC3)C=C2)N=C1", "label": -1}, "8370": {"pro_comp_id": 5274, "tar_path": "NSD2_O96028.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "NSD2_O96028_520_lig_smina_out.mol2", "protac_path": "5274_protac.mol2", "smiles": "O=C(CNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCOC1=CC=C(NC(=O)C2=CC=C(CN(C(=O)C3=CC=C4NC(=O)COC4=C3)C3CC3)C=C2)N=C1", "label": -1}, "8371": {"pro_comp_id": 5275, "tar_path": "NSD2_O96028.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "NSD2_O96028_520_lig_smina_out.mol2", "protac_path": "5275_protac.mol2", "smiles": "O=C(CCOCCOCCOCCNC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1)NCCCOC1=CC=C(NC(=O)C2=CC=C(CN(C(=O)C3=CC=C4NC(=O)COC4=C3)C3CC3)C=C2)N=C1", "label": -1}, "8372": {"pro_comp_id": 5276, "tar_path": "NSD2_O96028.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "NSD2_O96028_520_lig_smina_out.mol2", "protac_path": "5276_protac.mol2", "smiles": "O=C(CCCCNC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1)NCCCOC1=CC=C(NC(=O)C2=CC=C(CN(C(=O)C3=CC=C4NC(=O)COC4=C3)C3CC3)C=C2)N=C1", "label": -1}, "8373": {"pro_comp_id": 5277, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_521_lig_smina_out.mol2", "protac_path": "5277_protac.mol2", "smiles": "COC1=CC=C(C(=O)NO)C=C1NC(=O)C1=CC=C(NC(=O)CCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "8374": {"pro_comp_id": 5278, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_521_lig_smina_out.mol2", "protac_path": "5278_protac.mol2", "smiles": "COC1=CC=C(C(=O)NO)C=C1NC(=O)C1=CC=C(NC(=O)CCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "8375": {"pro_comp_id": 5279, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_521_lig_smina_out.mol2", "protac_path": "5279_protac.mol2", "smiles": "COC1=CC=C(C(=O)NO)C=C1NC(=O)C1=CC=C(CNC(=O)CCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "8376": {"pro_comp_id": 5280, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_521_lig_smina_out.mol2", "protac_path": "5280_protac.mol2", "smiles": "CC1=CC=C(C(=O)NO)C=C1NCC1=CC=C(OCC2=CN(CCCCCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1", "label": -1}, "8377": {"pro_comp_id": 5281, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_521_lig_smina_out.mol2", "protac_path": "5281_protac.mol2", "smiles": "COC1=CC=C(C(=O)NO)C=C1NCC1=CC=C(OCC2=CN(CCCCCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1", "label": -1}, "8381": {"pro_comp_id": 5285, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_521_lig_smina_out.mol2", "protac_path": "5285_protac.mol2", "smiles": "O=C(COC1=CC=C(C(=O)NC2=CC(C(=O)NO)=CC=C2Cl)C=C1)NCCCOCCOCCOCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8382": {"pro_comp_id": 5286, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_521_lig_smina_out.mol2", "protac_path": "5286_protac.mol2", "smiles": "O=C(COC1=CC=C(C(=O)NC2=CC=CC(C(=O)NO)=C2)C=C1)NCCCOCCOCCOCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8383": {"pro_comp_id": 5287, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_521_lig_smina_out.mol2", "protac_path": "5287_protac.mol2", "smiles": "COC1=CC=C(C(=O)NO)C=C1NC(=O)C1=CC=C(NC(=O)CCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)C=C1", "label": -1}, "8385": {"pro_comp_id": 5289, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ER_P03372_115_lig_smina_out.mol2", "protac_path": "5289_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCNC(=O)CO[C@H]3C[C@@]4(C)C(CC[C@@H]4O)C4CCC5=CC(O)=CC=C5C43)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8386": {"pro_comp_id": 5290, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ER_P03372_115_lig_smina_out.mol2", "protac_path": "5290_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNC(=O)CO[C@H]3C[C@@]4(C)C(CC[C@@H]4O)C4CCC5=CC(O)=CC=C5C43)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8387": {"pro_comp_id": 5291, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ER_P03372_115_lig_smina_out.mol2", "protac_path": "5291_protac.mol2", "smiles": "CC(=O)N(CCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)O[C@H]1C[C@@]2(C)C(CC[C@@H]2O)C2CCC3=CC(O)=CC=C3C21", "label": -1}, "8388": {"pro_comp_id": 5292, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ER_P03372_115_lig_smina_out.mol2", "protac_path": "5292_protac.mol2", "smiles": "CC(=O)N(CCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)O[C@H]1C[C@@]2(C)C(CC[C@@H]2O)C2CCC3=CC(O)=CC=C3C21", "label": -1}, "8389": {"pro_comp_id": 5293, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ER_P03372_115_lig_smina_out.mol2", "protac_path": "5293_protac.mol2", "smiles": "C[C@]12C[C@H](OCC(=O)NCCCOCCOCCOCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C3C4=CC=C(O)C=C4CCC3C1CC[C@@H]2O", "label": -1}, "8390": {"pro_comp_id": 5294, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_231_lig_smina_out.mol2", "protac_path": "5294_protac.mol2", "smiles": "CCN(C1=CC(C2=CC=C(CN3CCN(C(=O)COCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1", "label": -1}, "8391": {"pro_comp_id": 5295, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_231_lig_smina_out.mol2", "protac_path": "5295_protac.mol2", "smiles": "CCN(C1=CC(C2=CC=C(CN3CCN(C(=O)CCOCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1", "label": -1}, "8392": {"pro_comp_id": 5296, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_231_lig_smina_out.mol2", "protac_path": "5296_protac.mol2", "smiles": "CCN(C1=CC(C2=CC=C(CN3CCN(C(=O)COCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1", "label": -1}, "8393": {"pro_comp_id": 5297, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_231_lig_smina_out.mol2", "protac_path": "5297_protac.mol2", "smiles": "CCN(C1=CC(C2=CC=C(CN3CCN(C(=O)CCOCCOCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1", "label": -1}, "8394": {"pro_comp_id": 5298, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_231_lig_smina_out.mol2", "protac_path": "5298_protac.mol2", "smiles": "CCN(C1=CC(C2=CC=C(CN3CCN(C(=O)COCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1", "label": -1}, "8395": {"pro_comp_id": 5299, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_231_lig_smina_out.mol2", "protac_path": "5299_protac.mol2", "smiles": "CCN(C1=CC(C2=CC=C(CN3CCN(C(=O)CCOCCOCCOCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1", "label": -1}, "8396": {"pro_comp_id": 5300, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_231_lig_smina_out.mol2", "protac_path": "5300_protac.mol2", "smiles": "CCN(C1=CC(C2=CC=C(CN3CCN(C(=O)CCOCCOCCOCCOCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1", "label": -1}, "8397": {"pro_comp_id": 5301, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_231_lig_smina_out.mol2", "protac_path": "5301_protac.mol2", "smiles": "CCN(C1=CC(C2=CC=C(CN3CCN(C(=O)COCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1", "label": -1}, "8398": {"pro_comp_id": 5302, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_231_lig_smina_out.mol2", "protac_path": "5302_protac.mol2", "smiles": "CCN(C1=CC(C2=CC=C(CN3CCN(C(=O)CCOCCOCCOCCOCCOCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1", "label": -1}, "8399": {"pro_comp_id": 5303, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_231_lig_smina_out.mol2", "protac_path": "5303_protac.mol2", "smiles": "CCN(C1=CC(C2=CC=C(CN3CCN(C(=O)CCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1", "label": -1}, "8400": {"pro_comp_id": 5304, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_231_lig_smina_out.mol2", "protac_path": "5304_protac.mol2", "smiles": "CCN(C1=CC(C2=CC=C(CN3CCN(C(=O)CCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1", "label": -1}, "8401": {"pro_comp_id": 5305, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_231_lig_smina_out.mol2", "protac_path": "5305_protac.mol2", "smiles": "CCN(C1=CC(C2=CC=C(CN3CCN(C(=O)CCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1", "label": -1}, "8402": {"pro_comp_id": 5306, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_231_lig_smina_out.mol2", "protac_path": "5306_protac.mol2", "smiles": "CCN(C1=CC(C2=CC=C(CN3CCN(C(=O)CCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1", "label": -1}, "8403": {"pro_comp_id": 5307, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_231_lig_smina_out.mol2", "protac_path": "5307_protac.mol2", "smiles": "CCN(C1=CC(C2=CC=C(CN3CCN(C(=O)CCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1", "label": -1}, "8404": {"pro_comp_id": 5308, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_231_lig_smina_out.mol2", "protac_path": "5308_protac.mol2", "smiles": "CCN(C1=CC(C2=CC=C(CN3CCN(C(=O)CCCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1", "label": -1}, "8405": {"pro_comp_id": 5309, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PARP1_P09874_21_lig_smina_out.mol2", "protac_path": "5309_protac.mol2", "smiles": "NC(=O)C1=CC=CC2=CN(C3=CC=C(C4CCCN(C5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)C=C3)N=C12", "label": -1}, "8406": {"pro_comp_id": 5310, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_21_lig_smina_out.mol2", "protac_path": "5310_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCOCCOCCCNC(=O)C4=CC=CC5=CN(C6=CC=C(C7CCCNC7)C=C6)N=C45)=C3C2=O)C(=O)N1", "label": -1}, "8407": {"pro_comp_id": 5311, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_21_lig_smina_out.mol2", "protac_path": "5311_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCOCCOCCOCCCNC(=O)C4=CC=CC5=CN(C6=CC=C(C7CCCNC7)C=C6)N=C45)=C3C2=O)C(=O)N1", "label": -1}, "8408": {"pro_comp_id": 5312, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_21_lig_smina_out.mol2", "protac_path": "5312_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCOCCOCCOCCOCCCNC(=O)C4=CC=CC5=CN(C6=CC=C(C7CCCNC7)C=C6)N=C45)=C3C2=O)C(=O)N1", "label": -1}, "8409": {"pro_comp_id": 5313, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_21_lig_smina_out.mol2", "protac_path": "5313_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCOCCOCCOCCOCCOCCCNC(=O)C4=CC=CC5=CN(C6=CC=C(C7CCCNC7)C=C6)N=C45)=C3C2=O)C(=O)N1", "label": -1}, "8410": {"pro_comp_id": 5314, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_21_lig_smina_out.mol2", "protac_path": "5314_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCOCCOCCOCCOCCOCCOCCCNC(=O)C4=CC=CC5=CN(C6=CC=C(C7CCCNC7)C=C6)N=C45)=C3C2=O)C(=O)N1", "label": -1}, "8411": {"pro_comp_id": 5315, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_21_lig_smina_out.mol2", "protac_path": "5315_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCCOCCOCCOCCOCCOCCOCCOCCCNC(=O)C4=CC=CC5=CN(C6=CC=C(C7CCCNC7)C=C6)N=C45)=C3C2=O)C(=O)N1", "label": -1}, "8412": {"pro_comp_id": 5316, "tar_path": "VHL_P40337.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "VHL_P40337_110_lig_smina_out.mol2", "protac_path": "5316_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCNC(=O)C/C=N/OCC(=O)NCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8413": {"pro_comp_id": 5317, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "5317_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CO/N=C/CNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8414": {"pro_comp_id": 5318, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "5318_protac.mol2", "smiles": "O=C(CN1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCNCC(=O)NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8415": {"pro_comp_id": 5319, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "5319_protac.mol2", "smiles": "O=C(CN1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCCNCC(=O)NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8416": {"pro_comp_id": 5320, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "5320_protac.mol2", "smiles": "O=C(CN1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCCCNCC(=O)NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8417": {"pro_comp_id": 5321, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "5321_protac.mol2", "smiles": "O=C(CN1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCCCCCNCC(=O)NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8418": {"pro_comp_id": 5322, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "5322_protac.mol2", "smiles": "O=C(CN1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCOCCNCC(=O)NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8419": {"pro_comp_id": 5323, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "5323_protac.mol2", "smiles": "O=C(CN1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCOCCOCCNCC(=O)NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8420": {"pro_comp_id": 5324, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "5324_protac.mol2", "smiles": "O=C(CN1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCOCCOCCOCCNCC(=O)NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8421": {"pro_comp_id": 5325, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "5325_protac.mol2", "smiles": "O=C(CN1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCOCCOCCOCCOCCNCC(=O)NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8422": {"pro_comp_id": 5326, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "5326_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCNC(=O)CN1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1", "label": -1}, "8423": {"pro_comp_id": 5327, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "5327_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCNC(=O)CN1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1", "label": -1}, "8424": {"pro_comp_id": 5328, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "5328_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCNC(=O)CN1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1", "label": -1}, "8425": {"pro_comp_id": 5329, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "5329_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCNC(=O)CN1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1", "label": -1}, "8426": {"pro_comp_id": 5330, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "5330_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOCCNC(=O)CN1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1", "label": -1}, "8427": {"pro_comp_id": 5331, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "5331_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOCCOCCNC(=O)CN1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1", "label": -1}, "8428": {"pro_comp_id": 5332, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "5332_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CNCC(=O)N4CCN(C(=O)C5=CC(CC6=N[NH]C(=O)C7=CC=CC=C67)=CC=C5F)CC4)=C3C2=O)C(=O)N1", "label": -1}, "8429": {"pro_comp_id": 5333, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "5333_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CNCCC(=O)N4CCN(C(=O)C5=CC(CC6=N[NH]C(=O)C7=CC=CC=C67)=CC=C5F)CC4)=C3C2=O)C(=O)N1", "label": -1}, "8430": {"pro_comp_id": 5334, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "5334_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CNCCCC(=O)N4CCN(C(=O)C5=CC(CC6=N[NH]C(=O)C7=CC=CC=C67)=CC=C5F)CC4)=C3C2=O)C(=O)N1", "label": -1}, "8431": {"pro_comp_id": 5335, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "5335_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CNCCCCC(=O)N4CCN(C(=O)C5=CC(CC6=N[NH]C(=O)C7=CC=CC=C67)=CC=C5F)CC4)=C3C2=O)C(=O)N1", "label": -1}, "8432": {"pro_comp_id": 5336, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "5336_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CNCCCCCC(=O)N4CCN(C(=O)C5=CC(CC6=N[NH]C(=O)C7=CC=CC=C67)=CC=C5F)CC4)=C3C2=O)C(=O)N1", "label": -1}, "8433": {"pro_comp_id": 5337, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "5337_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CNCCCCCCC(=O)N4CCN(C(=O)C5=CC(CC6=N[NH]C(=O)C7=CC=CC=C67)=CC=C5F)CC4)=C3C2=O)C(=O)N1", "label": -1}, "8434": {"pro_comp_id": 5338, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "5338_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CNCCCCCCCC(=O)N4CCN(C(=O)C5=CC(CC6=N[NH]C(=O)C7=CC=CC=C67)=CC=C5F)CC4)=C3C2=O)C(=O)N1", "label": -1}, "8435": {"pro_comp_id": 5339, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "5339_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CNCCCCCCCCC(=O)N4CCN(C(=O)C5=CC(CC6=N[NH]C(=O)C7=CC=CC=C67)=CC=C5F)CC4)=C3C2=O)C(=O)N1", "label": -1}, "8436": {"pro_comp_id": 5340, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "5340_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CNCCCCCCCCCC(=O)N4CCN(C(=O)C5=CC(CC6=N[NH]C(=O)C7=CC=CC=C67)=CC=C5F)CC4)=C3C2=O)C(=O)N1", "label": -1}, "8437": {"pro_comp_id": 5341, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "5341_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CNCCCCCCCCCCC(=O)N4CCN(C(=O)C5=CC(CC6=N[NH]C(=O)C7=CC=CC=C67)=CC=C5F)CC4)=C3C2=O)C(=O)N1", "label": -1}, "8438": {"pro_comp_id": 5342, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "5342_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CNCCCCCCCCCCCC(=O)N4CCN(C(=O)C5=CC(CC6=N[NH]C(=O)C7=CC=CC=C67)=CC=C5F)CC4)=C3C2=O)C(=O)N1", "label": -1}, "8439": {"pro_comp_id": 5343, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "5343_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CNCCCCCCCCCCCCC(=O)N4CCN(C(=O)C5=CC(CC6=N[NH]C(=O)C7=CC=CC=C67)=CC=C5F)CC4)=C3C2=O)C(=O)N1", "label": -1}, "8440": {"pro_comp_id": 5344, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "5344_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOCCOCCOCCN1C=C(CN2CCN(C(=O)C3=CC(CC4=N[NH]C(=O)C5=CC=CC=C45)=CC=C3F)CC2)N=N1", "label": -1}, "8441": {"pro_comp_id": 5345, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "5345_protac.mol2", "smiles": "O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOCCOCCOCCN1C=C(CCCCC(=O)N2CCN(C(=O)C3=CC(CC4=N[NH]C(=O)C5=CC=CC=C45)=CC=C3F)CC2)N=N1", "label": -1}, "8442": {"pro_comp_id": 5346, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "5346_protac.mol2", "smiles": "O=C(CN1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCOCCOCCOCCN1C=C(COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1", "label": -1}, "8443": {"pro_comp_id": 5347, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_522_lig_smina_out.mol2", "protac_path": "5347_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOC3=CC=C(Cl)C=C3C(=O)NC3=CC=C([N+](=O)[O-])C=C3Cl)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8444": {"pro_comp_id": 5348, "tar_path": "AR-V7_P10275.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AR_P10275_522_lig_smina_out.mol2", "protac_path": "5348_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCN3C=C(CCOC4=CC=C(Cl)C=C4C(=O)NC4=CC=C([N+](=O)[O-])C=C4Cl)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8445": {"pro_comp_id": 5349, "tar_path": "USP7_Q93009.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "USP7_Q93009_523_lig_smina_out.mol2", "protac_path": "5349_protac.mol2", "smiles": "CC(CC(=O)N1CCC(O)(CN2C=NC3=CC(NC(=O)CCC4CCN(C(=O)COCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C3C2=O)CC1)C1=CC=CC=C1", "label": -1}, "8446": {"pro_comp_id": 5350, "tar_path": "USP7_Q93009.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "USP7_Q93009_523_lig_smina_out.mol2", "protac_path": "5350_protac.mol2", "smiles": "CC(CC(=O)N1CCC(O)(CN2C=NC3=CC(NC(=O)CCC4CCN(C(=O)C5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)=CC=C3C2=O)CC1)C1=CC=CC=C1", "label": -1}, "8447": {"pro_comp_id": 5351, "tar_path": "USP7_Q93009.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "USP7_Q93009_523_lig_smina_out.mol2", "protac_path": "5351_protac.mol2", "smiles": "CC(CC(=O)N1CCC(O)(CN2C=NC3=CC(NC(=O)CCC4CCN(C(=O)CCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C3C2=O)CC1)C1=CC=CC=C1", "label": -1}, "8448": {"pro_comp_id": 5352, "tar_path": "USP7_Q93009.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "USP7_Q93009_523_lig_smina_out.mol2", "protac_path": "5352_protac.mol2", "smiles": "CC(CC(=O)N1CCC(O)(CN2C=NC3=CC(NC(=O)CCC4CCN(C(=O)CCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C3C2=O)CC1)C1=CC=CC=C1", "label": -1}, "8449": {"pro_comp_id": 5353, "tar_path": "USP7_Q93009.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "USP7_Q93009_523_lig_smina_out.mol2", "protac_path": "5353_protac.mol2", "smiles": "CC(CC(=O)N1CCC(O)(CN2C=NC3=CC(NC(=O)CCC4CCN(C(=O)CCCCCOCCCCCOCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C3C2=O)CC1)C1=CC=CC=C1", "label": -1}, "8450": {"pro_comp_id": 5354, "tar_path": "USP7_Q93009.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "USP7_Q93009_523_lig_smina_out.mol2", "protac_path": "5354_protac.mol2", "smiles": "CC(CC(=O)N1CCC(O)(CN2C=NC3=CC(NC(=O)CCC4CCN(C(=O)CCCCCOCCCCCCOCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C3C2=O)CC1)C1=CC=CC=C1", "label": -1}, "8451": {"pro_comp_id": 5355, "tar_path": "USP7_Q93009.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "USP7_Q93009_523_lig_smina_out.mol2", "protac_path": "5355_protac.mol2", "smiles": "CC(CC(=O)N1CCC(O)(CN2C=NC3=CC(NC(=O)CCC4CCN(C(=O)CCCCCOCCCCOCCCCOCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C3C2=O)CC1)C1=CC=CC=C1", "label": -1}, "8452": {"pro_comp_id": 5356, "tar_path": "USP7_Q93009.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "USP7_Q93009_523_lig_smina_out.mol2", "protac_path": "5356_protac.mol2", "smiles": "CC(CC(=O)N1CCC(O)(CN2C=NC3=CC(NC(=O)CCC4CCN(C(=O)CCCCCOCCOCCOCCOCCOCCOCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C3C2=O)CC1)C1=CC=CC=C1", "label": -1}, "8453": {"pro_comp_id": 5357, "tar_path": "USP7_Q93009.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "USP7_Q93009_523_lig_smina_out.mol2", "protac_path": "5357_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(N4CCC(C(=O)N5CCC(CCC(=O)NC6=CC=C7C(=O)N(CC8(O)CCN(C(=O)CC(C9=CC=CC=C9)C(F)(F)F)CC8)C=NC7=C6)CC5)CC4)C=C3C2=O)C(=O)N1", "label": -1}, "8454": {"pro_comp_id": 5358, "tar_path": "USP7_Q93009.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "USP7_Q93009_523_lig_smina_out.mol2", "protac_path": "5358_protac.mol2", "smiles": "C[C@H](CC(=O)N1CCC(O)(CN2C=NC3=CC(NC(=O)CCC4CCN(C(=O)C5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)=CC=C3C2=O)CC1)C1=CC=CC=C1", "label": -1}, "8457": {"pro_comp_id": 5361, "tar_path": "USP7_Q93009.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "USP7_Q93009_523_lig_smina_out.mol2", "protac_path": "5361_protac.mol2", "smiles": "C[C@H](CC(=O)N1CCC(O)(CN2C=NC3=CC(NC(=O)CCC4CCN(C(=O)CN5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)=CC=C3C2=O)CC1)C1=CC=CC=C1", "label": -1}, "8458": {"pro_comp_id": 5362, "tar_path": "USP7_Q93009.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "USP7_Q93009_523_lig_smina_out.mol2", "protac_path": "5362_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC(F)=C(N4CCC(C(=O)N5CCC(CCC(=O)NC6=CC=C7C(=O)N(CC8(O)CCN(C(=O)CC(C9=CC=CC=C9)C(F)(F)F)CC8)C=NC7=C6)CC5)CC4)C=C3C2=O)C(=O)N1", "label": -1}, "8459": {"pro_comp_id": 5363, "tar_path": "USP7_Q93009.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_80_lig_smina_out.mol2", "war_path": "USP7_Q93009_523_lig_smina_out.mol2", "protac_path": "5363_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC(F)=C(N4CCC(CN5CCC(CCC(=O)NC6=CC=C7C(=O)N(CC8(O)CCN(C(=O)CC(C9=CC=CC=C9)C(F)(F)F)CC8)C=NC7=C6)CC5)CC4)C=C3C2=O)C(=O)N1", "label": -1}, "8460": {"pro_comp_id": 5363, "tar_path": "USP7_Q93009.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_80_lig_smina_out.mol2", "war_path": "USP7_Q93009_523_lig_smina_out.mol2", "protac_path": "5363_protac.mol2", "smiles": "C[C@H](CC(=O)N1CCC(O)(CN2C=NC3=CC(NC(=O)CCC4CCN(CC5CCN(C6=CC7=C(C=C6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)=CC=C3C2=O)CC1)C1=CC=CC=C1", "label": -1}, "8462": {"pro_comp_id": 5365, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_121_lig_smina_out.mol2", "protac_path": "5365_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(C(=O)NCCOCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)C=C4)C=C23)=C1F", "label": -1}, "8463": {"pro_comp_id": 5366, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_121_lig_smina_out.mol2", "protac_path": "5366_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(C(=O)NCCOCCOCCOCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)C=C4)C=C23)=C1F", "label": -1}, "8464": {"pro_comp_id": 5367, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_121_lig_smina_out.mol2", "protac_path": "5367_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(C(=O)NCCCCCCOCCCCCOCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)C=C4)C=C23)=C1F", "label": -1}, "8465": {"pro_comp_id": 5368, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_29_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_121_lig_smina_out.mol2", "protac_path": "5368_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(CNC(=O)CCCCOCCCCOCCCCOC5=CC(C6=C(C)N=CS6)=CC=C5CNC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H](C(C)C)N5CC6=CC=CC=C6C5=O)C=C4)C=C23)=C1F", "label": -1}, "8466": {"pro_comp_id": 5369, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_29_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_121_lig_smina_out.mol2", "protac_path": "5369_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(C(=O)NCCOCCOCCOCCOC5=CC(C6=C(C)N=CS6)=CC=C5CNC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H](C(C)C)N5CC6=CC=CC=C6C5=O)C=C4)C=C23)=C1F", "label": -1}, "8467": {"pro_comp_id": 5369, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_29_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_121_lig_smina_out.mol2", "protac_path": "5369_protac.mol2", "smiles": "CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(CNC(=O)CCCCOCCOCCOCCOC5=CC(C6=C(C)N=CS6)=CC=C5CNC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H](C(C)C)N5CC6=CC=CC=C6C5=O)C=C4)C=C23)=C1F", "label": -1}, "8468": {"pro_comp_id": 5370, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_351_lig_smina_out.mol2", "protac_path": "5370_protac.mol2", "smiles": "CCN(C)S(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(N5CCN(CC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4)C=C23)=C1F", "label": -1}, "8469": {"pro_comp_id": 5371, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_351_lig_smina_out.mol2", "protac_path": "5371_protac.mol2", "smiles": "CCN(C)S(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CN=C(N5CCN(CC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)N=C4)C=C23)=C1F", "label": -1}, "8470": {"pro_comp_id": 5372, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_269_lig_smina_out.mol2", "protac_path": "5372_protac.mol2", "smiles": "O=C(COC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8471": {"pro_comp_id": 5373, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_269_lig_smina_out.mol2", "protac_path": "5373_protac.mol2", "smiles": "O=C(CCCOC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8472": {"pro_comp_id": 5374, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_269_lig_smina_out.mol2", "protac_path": "5374_protac.mol2", "smiles": "O=C(CCCCOC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8473": {"pro_comp_id": 5375, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_269_lig_smina_out.mol2", "protac_path": "5375_protac.mol2", "smiles": "O=C(CCCCCOC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8474": {"pro_comp_id": 5376, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_269_lig_smina_out.mol2", "protac_path": "5376_protac.mol2", "smiles": "O=C(CCCCCCOC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8475": {"pro_comp_id": 5377, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_269_lig_smina_out.mol2", "protac_path": "5377_protac.mol2", "smiles": "O=C(COC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8476": {"pro_comp_id": 5378, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_269_lig_smina_out.mol2", "protac_path": "5378_protac.mol2", "smiles": "O=C(CCCOC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8477": {"pro_comp_id": 5379, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_269_lig_smina_out.mol2", "protac_path": "5379_protac.mol2", "smiles": "O=C(CCCCOC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8478": {"pro_comp_id": 5380, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_269_lig_smina_out.mol2", "protac_path": "5380_protac.mol2", "smiles": "O=C(CCCCCOC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8479": {"pro_comp_id": 5381, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_269_lig_smina_out.mol2", "protac_path": "5381_protac.mol2", "smiles": "O=C(CCCCCCOC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8480": {"pro_comp_id": 5382, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_269_lig_smina_out.mol2", "protac_path": "5382_protac.mol2", "smiles": "O=C(COC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8481": {"pro_comp_id": 5383, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_269_lig_smina_out.mol2", "protac_path": "5383_protac.mol2", "smiles": "O=C(CCCOC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8482": {"pro_comp_id": 5384, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_269_lig_smina_out.mol2", "protac_path": "5384_protac.mol2", "smiles": "O=C(CCCCOC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8483": {"pro_comp_id": 5385, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_269_lig_smina_out.mol2", "protac_path": "5385_protac.mol2", "smiles": "O=C(CCCCCOC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8484": {"pro_comp_id": 5386, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_269_lig_smina_out.mol2", "protac_path": "5386_protac.mol2", "smiles": "O=C(CCCCCCOC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8485": {"pro_comp_id": 5387, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_269_lig_smina_out.mol2", "protac_path": "5387_protac.mol2", "smiles": "O=C(COC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8486": {"pro_comp_id": 5388, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_269_lig_smina_out.mol2", "protac_path": "5388_protac.mol2", "smiles": "O=C(CCCOC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8487": {"pro_comp_id": 5389, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_269_lig_smina_out.mol2", "protac_path": "5389_protac.mol2", "smiles": "O=C(CCCCOC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8488": {"pro_comp_id": 5390, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_269_lig_smina_out.mol2", "protac_path": "5390_protac.mol2", "smiles": "O=C(CCCCCOC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8489": {"pro_comp_id": 5391, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_269_lig_smina_out.mol2", "protac_path": "5391_protac.mol2", "smiles": "O=C(CCCCCCOC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8490": {"pro_comp_id": 5392, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_269_lig_smina_out.mol2", "protac_path": "5392_protac.mol2", "smiles": "O=C(COC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8491": {"pro_comp_id": 5393, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_269_lig_smina_out.mol2", "protac_path": "5393_protac.mol2", "smiles": "O=C(CCCOC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8492": {"pro_comp_id": 5394, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_269_lig_smina_out.mol2", "protac_path": "5394_protac.mol2", "smiles": "O=C(CCCCOC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8493": {"pro_comp_id": 5394, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_269_lig_smina_out.mol2", "protac_path": "5394_protac.mol2", "smiles": "O=C(CCCCOC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8494": {"pro_comp_id": 5395, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_269_lig_smina_out.mol2", "protac_path": "5395_protac.mol2", "smiles": "O=C(CCCCCOC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8495": {"pro_comp_id": 5396, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_269_lig_smina_out.mol2", "protac_path": "5396_protac.mol2", "smiles": "O=C(CCCCCCOC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8496": {"pro_comp_id": 5397, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_269_lig_smina_out.mol2", "protac_path": "5397_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(N4CCN(C(=O)CCCCOC5=CC=C(CCNC(=O)C6=CC=CC(C(=O)NO)=C6)C=C5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "8497": {"pro_comp_id": 5398, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_269_lig_smina_out.mol2", "protac_path": "5398_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(N4CCN(C5CCN(C(=O)CCCCOC6=CC=C(CCNC(=O)C7=CC=CC(C(=O)NO)=C7)C=C6)CC5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "8498": {"pro_comp_id": 5399, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_269_lig_smina_out.mol2", "protac_path": "5399_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(N4CCN(CC5CCN(C(=O)CCCCOC6=CC=C(CCNC(=O)C7=CC=CC(C(=O)NO)=C7)C=C6)CC5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "8499": {"pro_comp_id": 5400, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_269_lig_smina_out.mol2", "protac_path": "5400_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(N4CCN(C5CN(C(=O)CCCCOC6=CC=C(CCNC(=O)C7=CC=CC(C(=O)NO)=C7)C=C6)C5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "8500": {"pro_comp_id": 5401, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_269_lig_smina_out.mol2", "protac_path": "5401_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(N4CCN(CC5CN(C(=O)CCCCOC6=CC=C(CCNC(=O)C7=CC=CC(C(=O)NO)=C7)C=C6)C5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "8501": {"pro_comp_id": 5402, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_269_lig_smina_out.mol2", "protac_path": "5402_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(N4CCC(N5CCN(C(=O)CCCCOC6=CC=C(CCNC(=O)C7=CC=CC(C(=O)NO)=C7)C=C6)CC5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "8502": {"pro_comp_id": 5403, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_269_lig_smina_out.mol2", "protac_path": "5403_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(N4CCC(CN5CCN(C(=O)CCCCOC6=CC=C(CCNC(=O)C7=CC=CC(C(=O)NO)=C7)C=C6)CC5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "8503": {"pro_comp_id": 5404, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_269_lig_smina_out.mol2", "protac_path": "5404_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(N4CC(N5CCN(C(=O)CCCCOC6=CC=C(CCNC(=O)C7=CC=CC(C(=O)NO)=C7)C=C6)CC5)C4)=C3C2=O)C(=O)N1", "label": -1}, "8504": {"pro_comp_id": 5405, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_269_lig_smina_out.mol2", "protac_path": "5405_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(N4CC(CN5CCN(C(=O)CCCCOC6=CC=C(CCNC(=O)C7=CC=CC(C(=O)NO)=C7)C=C6)CC5)C4)=C3C2=O)C(=O)N1", "label": -1}, "8505": {"pro_comp_id": 5406, "tar_path": "HDAC8_Q9BY41.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "HDAC8_Q9BY41_269_lig_smina_out.mol2", "protac_path": "5406_protac.mol2", "smiles": "O=C(CCCCOC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCCCCCNC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1", "label": -1}, "8506": {"pro_comp_id": 5407, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_524_lig_smina_out.mol2", "protac_path": "5407_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCNC(=O)C3=CC=C(CN4CCN(S(=O)(=O)C5=CC=C(NC(=S)NCC6=CC=CN=C6)C=C5)CC4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8507": {"pro_comp_id": 5408, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_524_lig_smina_out.mol2", "protac_path": "5408_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCNC(=O)C3=CC=C(CN4CCN(S(=O)(=O)C5=CC=C(NC(=S)NCC6=CC=CN=C6)C=C5)CC4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8508": {"pro_comp_id": 5409, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_524_lig_smina_out.mol2", "protac_path": "5409_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCNC(=O)C3=CC=C(CN4CCN(S(=O)(=O)C5=CC=C(NC(=S)NCC6=CC=CN=C6)C=C5)CC4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8509": {"pro_comp_id": 5410, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_524_lig_smina_out.mol2", "protac_path": "5410_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCNC(=O)C3=CC=C(CN4CCN(S(=O)(=O)C5=CC=C(NC(=S)NCC6=CC=CN=C6)C=C5)CC4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8510": {"pro_comp_id": 5411, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_524_lig_smina_out.mol2", "protac_path": "5411_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCNC(=O)C3=CC=C(CN4CCN(S(=O)(=O)C5=CC=C(NC(=S)NCC6=CC=CN=C6)C=C5)CC4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8511": {"pro_comp_id": 5412, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_524_lig_smina_out.mol2", "protac_path": "5412_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C3=CC=C(CN4CCN(S(=O)(=O)C5=CC=C(NC(=S)NCC6=CC=CN=C6)C=C5)CC4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8512": {"pro_comp_id": 5413, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_524_lig_smina_out.mol2", "protac_path": "5413_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCNC(=O)C3=CC=C(CN4CCN(S(=O)(=O)C5=CC=C(NC(=S)NCC6=CC=CN=C6)C=C5)CC4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8513": {"pro_comp_id": 5414, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_524_lig_smina_out.mol2", "protac_path": "5414_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCNC(=O)C3=CC=CC(CN4CCN(S(=O)(=O)C5=CC=C(NC(=S)NCC6=CC=CN=C6)C=C5)CC4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8514": {"pro_comp_id": 5415, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_524_lig_smina_out.mol2", "protac_path": "5415_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCNC(=O)C3=CC=CC(CN4CCN(S(=O)(=O)C5=CC=C(NC(=S)NCC6=CC=CN=C6)C=C5)CC4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8515": {"pro_comp_id": 5416, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_524_lig_smina_out.mol2", "protac_path": "5416_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCNC(=O)C3=CC=CC(CN4CCN(S(=O)(=O)C5=CC=C(NC(=S)NCC6=CC=CN=C6)C=C5)CC4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8516": {"pro_comp_id": 5417, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_524_lig_smina_out.mol2", "protac_path": "5417_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCNC(=O)C3=CC=CC(CN4CCN(S(=O)(=O)C5=CC=C(NC(=S)NCC6=CC=CN=C6)C=C5)CC4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8517": {"pro_comp_id": 5418, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_524_lig_smina_out.mol2", "protac_path": "5418_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCNC(=O)C3=CC=CC(CN4CCN(S(=O)(=O)C5=CC=C(NC(=S)NCC6=CC=CN=C6)C=C5)CC4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8518": {"pro_comp_id": 5419, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_524_lig_smina_out.mol2", "protac_path": "5419_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@@H](C)NC(=O)[C@H]3C[C@H](O)CN3C(=O)[C@H](NC(=O)CCCNC(=O)C3=CC=CC=C3CN3CCN(S(=O)(=O)C4=CC=C(NC(=S)NCC5=CC=CN=C5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8519": {"pro_comp_id": 5420, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_524_lig_smina_out.mol2", "protac_path": "5420_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCNC(=O)C3=CC=CC=C3CN3CCN(S(=O)(=O)C4=CC=C(NC(=S)NCC5=CC=CN=C5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8520": {"pro_comp_id": 5421, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_524_lig_smina_out.mol2", "protac_path": "5421_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCNC(=O)C3=CC=CC=C3CN3CCN(S(=O)(=O)C4=CC=C(NC(=S)NCC5=CC=CN=C5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8521": {"pro_comp_id": 5422, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_524_lig_smina_out.mol2", "protac_path": "5422_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCNC(=O)C3=CC=CC=C3CN3CCN(S(=O)(=O)C4=CC=C(NC(=S)NCC5=CC=CN=C5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8522": {"pro_comp_id": 5423, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_524_lig_smina_out.mol2", "protac_path": "5423_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCNC(=O)C3=CC=CC=C3CN3CCN(S(=O)(=O)C4=CC=C(NC(=S)NCC5=CC=CN=C5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8523": {"pro_comp_id": 5424, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_524_lig_smina_out.mol2", "protac_path": "5424_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@H]3C[C@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCNC(=O)C3=CC=C(CN4CCN(S(=O)(=O)C5=CC=C(NC(=S)NCC6=CC=CN=C6)C=C5)CC4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8524": {"pro_comp_id": 5425, "tar_path": "NAMPT_P43490.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NAMPT_P43490_524_lig_smina_out.mol2", "protac_path": "5425_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCNC(=O)C3=CC=C(CN4CCN(S(=O)(=O)C5=CC=C(NC(=S)NCC6=CC=CC=C6)C=C5)CC4)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8525": {"pro_comp_id": 5426, "tar_path": "DCPS_Q96C86.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_29_lig_smina_out.mol2", "war_path": "DCPS_Q96C86_525_lig_smina_out.mol2", "protac_path": "5426_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)C(OCCOCCOCCOCCOCCOCCOC3=CC=CC(CN4CCC(COC5=CC=CC6=NC(N)=NC(N)=C56)CC4)=C3)=C2)SC=N1", "label": -1}, "8526": {"pro_comp_id": 5427, "tar_path": "NSD3_Q9BZ95.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NSD3_Q9BZ95_526_lig_smina_out.mol2", "protac_path": "5427_protac.mol2", "smiles": "CC1=CC(CNCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC(C)=C1C1=C(C2=CC=NC3=CC(F)=CC=C23)N(C)C=N1", "label": -1}, "8527": {"pro_comp_id": 5428, "tar_path": "NSD3_Q9BZ95.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NSD3_Q9BZ95_526_lig_smina_out.mol2", "protac_path": "5428_protac.mol2", "smiles": "CC1=CC(CNCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC(C)=C1C1=C(C2=CC=NC3=CC(F)=CC=C23)N(C)C=N1", "label": -1}, "8528": {"pro_comp_id": 5429, "tar_path": "NSD3_Q9BZ95.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NSD3_Q9BZ95_526_lig_smina_out.mol2", "protac_path": "5429_protac.mol2", "smiles": "CC1=CC(CNCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC(C)=C1C1=C(C2=CC=NC3=CC(F)=CC=C23)N(C)C=N1", "label": -1}, "8529": {"pro_comp_id": 5430, "tar_path": "NSD3_Q9BZ95.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NSD3_Q9BZ95_526_lig_smina_out.mol2", "protac_path": "5430_protac.mol2", "smiles": "CC1=CC(CNCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC(C)=C1C1=C(C2=CC=NC3=CC(F)=CC=C23)N(C)C=N1", "label": -1}, "8530": {"pro_comp_id": 5431, "tar_path": "NSD3_Q9BZ95.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NSD3_Q9BZ95_526_lig_smina_out.mol2", "protac_path": "5431_protac.mol2", "smiles": "CC1=CC(CNCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC(C)=C1C1=C(C2=CC=NC3=CC(F)=CC=C23)N(C)C=N1", "label": -1}, "8531": {"pro_comp_id": 5432, "tar_path": "NSD3_Q9BZ95.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NSD3_Q9BZ95_526_lig_smina_out.mol2", "protac_path": "5432_protac.mol2", "smiles": "CC1=CC(CNCCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC(C)=C1C1=C(C2=CC=NC3=CC(F)=CC=C23)N(C)C=N1", "label": -1}, "8532": {"pro_comp_id": 5433, "tar_path": "NSD3_Q9BZ95.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NSD3_Q9BZ95_526_lig_smina_out.mol2", "protac_path": "5433_protac.mol2", "smiles": "CC1=CC(CNCCCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC(C)=C1C1=C(C2=CC=NC3=CC(F)=CC=C23)N(C)C=N1", "label": -1}, "8533": {"pro_comp_id": 5434, "tar_path": "NSD3_Q9BZ95.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NSD3_Q9BZ95_526_lig_smina_out.mol2", "protac_path": "5434_protac.mol2", "smiles": "CC1=CC(CNCCCCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC(C)=C1C1=C(C2=CC=NC3=CC(F)=CC=C23)N(C)C=N1", "label": -1}, "8534": {"pro_comp_id": 5435, "tar_path": "NSD3_Q9BZ95.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NSD3_Q9BZ95_526_lig_smina_out.mol2", "protac_path": "5435_protac.mol2", "smiles": "CC1=CC(CNCCCCCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC(C)=C1C1=C(C2=CC=NC3=CC(F)=CC=C23)N(C)C=N1", "label": -1}, "8535": {"pro_comp_id": 5436, "tar_path": "NSD3_Q9BZ95.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NSD3_Q9BZ95_526_lig_smina_out.mol2", "protac_path": "5436_protac.mol2", "smiles": "CC1=CC(CNCCCCCCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC(C)=C1C1=C(C2=CC=NC3=CC(F)=CC=C23)N(C)C=N1", "label": -1}, "8536": {"pro_comp_id": 5437, "tar_path": "NSD3_Q9BZ95.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NSD3_Q9BZ95_526_lig_smina_out.mol2", "protac_path": "5437_protac.mol2", "smiles": "CC1=CC(CNCCCCCCCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC(C)=C1C1=C(C2=CC=NC3=CC(F)=CC=C23)N(C)C=N1", "label": -1}, "8537": {"pro_comp_id": 5438, "tar_path": "NSD3_Q9BZ95.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NSD3_Q9BZ95_526_lig_smina_out.mol2", "protac_path": "5438_protac.mol2", "smiles": "CC1=CC(CNCCCCCCCCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC(C)=C1C1=C(C2=CC=NC3=CC(F)=CC=C23)N(C)C=N1", "label": -1}, "8538": {"pro_comp_id": 5439, "tar_path": "NSD3_Q9BZ95.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NSD3_Q9BZ95_526_lig_smina_out.mol2", "protac_path": "5439_protac.mol2", "smiles": "CC1=CC(CNCCOCCOCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC(C)=C1C1=C(C2=CC=NC3=CC(F)=CC=C23)N(C)C=N1", "label": -1}, "8539": {"pro_comp_id": 5440, "tar_path": "NSD3_Q9BZ95.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NSD3_Q9BZ95_526_lig_smina_out.mol2", "protac_path": "5440_protac.mol2", "smiles": "CC1=CC(CNCCOCCOCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC(C)=C1C1=C(C2=CC=NC3=CC(F)=CC=C23)N(C)C=N1", "label": -1}, "8540": {"pro_comp_id": 5441, "tar_path": "NSD3_Q9BZ95.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NSD3_Q9BZ95_526_lig_smina_out.mol2", "protac_path": "5441_protac.mol2", "smiles": "CC1=CC(CNCCOCCOCCOCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC(C)=C1C1=C(C2=CC=NC3=CC(F)=CC=C23)N(C)C=N1", "label": -1}, "8541": {"pro_comp_id": 5442, "tar_path": "NSD3_Q9BZ95.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NSD3_Q9BZ95_526_lig_smina_out.mol2", "protac_path": "5442_protac.mol2", "smiles": "CC1=CC(CNCCOCCOCCOCCOCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC(C)=C1C1=C(C2=CC=NC3=CC(F)=CC=C23)N(C)C=N1", "label": -1}, "8542": {"pro_comp_id": 5443, "tar_path": "NSD3_Q9BZ95.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NSD3_Q9BZ95_526_lig_smina_out.mol2", "protac_path": "5443_protac.mol2", "smiles": "CC1=CC(CNCCCCN2CCN(CC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC(C)=C1C1=C(C2=CC=NC3=CC(F)=CC=C23)N(C)C=N1", "label": -1}, "8543": {"pro_comp_id": 5444, "tar_path": "NSD3_Q9BZ95.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NSD3_Q9BZ95_526_lig_smina_out.mol2", "protac_path": "5444_protac.mol2", "smiles": "CC1=CC(CNCCCCCN2CCN(CC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC(C)=C1C1=C(C2=CC=NC3=CC(F)=CC=C23)N(C)C=N1", "label": -1}, "8544": {"pro_comp_id": 5445, "tar_path": "NSD3_Q9BZ95.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NSD3_Q9BZ95_526_lig_smina_out.mol2", "protac_path": "5445_protac.mol2", "smiles": "CC1=CC(CNCCCCCCN2CCN(CC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC(C)=C1C1=C(C2=CC=NC3=CC(F)=CC=C23)N(C)C=N1", "label": -1}, "8545": {"pro_comp_id": 5446, "tar_path": "NSD3_Q9BZ95.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NSD3_Q9BZ95_526_lig_smina_out.mol2", "protac_path": "5446_protac.mol2", "smiles": "CC1=CC(CNCCN2CCN(CCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC(C)=C1C1=C(C2=CC=NC3=CC(F)=CC=C23)N(C)C=N1", "label": -1}, "8546": {"pro_comp_id": 5447, "tar_path": "NSD3_Q9BZ95.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NSD3_Q9BZ95_526_lig_smina_out.mol2", "protac_path": "5447_protac.mol2", "smiles": "CC1=CC(CNCCCN2CCN(CCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC(C)=C1C1=C(C2=CC=NC3=CC(F)=CC=C23)N(C)C=N1", "label": -1}, "8547": {"pro_comp_id": 5448, "tar_path": "NSD3_Q9BZ95.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "NSD3_Q9BZ95_526_lig_smina_out.mol2", "protac_path": "5448_protac.mol2", "smiles": "CC1=CC(CNCCCN2CCN(CCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC(C)=C1C1=C(C2=CC=NC3=CC(F)=CC=C23)N(C)C=N1", "label": -1}, "8548": {"pro_comp_id": 5449, "tar_path": "NSD3_Q9BZ95.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "NSD3_Q9BZ95_526_lig_smina_out.mol2", "protac_path": "5449_protac.mol2", "smiles": "CC1=CC(CNCCCCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=CC(C)=C1C1=C(C2=CC=NC3=CC(F)=CC=C23)N(C)C=N1", "label": -1}, "8549": {"pro_comp_id": 5450, "tar_path": "NSD3_Q9BZ95.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "NSD3_Q9BZ95_526_lig_smina_out.mol2", "protac_path": "5450_protac.mol2", "smiles": "CC1=CC(CNCCCCCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=CC(C)=C1C1=C(C2=CC=NC3=CC(F)=CC=C23)N(C)C=N1", "label": -1}, "8550": {"pro_comp_id": 5451, "tar_path": "NSD3_Q9BZ95.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "NSD3_Q9BZ95_526_lig_smina_out.mol2", "protac_path": "5451_protac.mol2", "smiles": "CC1=CC(CNCCCCCCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=CC(C)=C1C1=C(C2=CC=NC3=CC(F)=CC=C23)N(C)C=N1", "label": -1}, "8551": {"pro_comp_id": 5452, "tar_path": "NSD3_Q9BZ95.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "NSD3_Q9BZ95_526_lig_smina_out.mol2", "protac_path": "5452_protac.mol2", "smiles": "CC1=CC(CNCCCCCCCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=CC(C)=C1C1=C(C2=CC=NC3=CC(F)=CC=C23)N(C)C=N1", "label": -1}, "8552": {"pro_comp_id": 5453, "tar_path": "USP7_Q93009.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "USP7_Q93009_527_lig_smina_out.mol2", "protac_path": "5453_protac.mol2", "smiles": "C[C@H](CC(=O)N1CCC(O)(CN2C=NC3=C(C4=CC=C(CNCCCCCCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C=C4)N(C)N=C3C2=O)CC1)C1=CC=CC=C1", "label": -1}, "8553": {"pro_comp_id": 5454, "tar_path": "USP7_Q93009.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "USP7_Q93009_527_lig_smina_out.mol2", "protac_path": "5454_protac.mol2", "smiles": "C[C@H](CC(=O)N1CCC(O)(CN2C=NC3=C(C4=CC=C(CNCCCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C=C4)N(C)N=C3C2=O)CC1)C1=CC=CC=C1", "label": -1}, "8554": {"pro_comp_id": 5455, "tar_path": "USP7_Q93009.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "USP7_Q93009_527_lig_smina_out.mol2", "protac_path": "5455_protac.mol2", "smiles": "C[C@H](CC(=O)N1CCC(O)(CN2C=NC3=C(C4=CC=C(CNCCCCCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C=C4)N(C)N=C3C2=O)CC1)C1=CC=CC=C1", "label": -1}, "8555": {"pro_comp_id": 5456, "tar_path": "USP7_Q93009.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "USP7_Q93009_527_lig_smina_out.mol2", "protac_path": "5456_protac.mol2", "smiles": "C[C@H](CC(=O)N1CCC(O)(CN2C=NC3=C(C4=CC=C(CNCCCCCCCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C=C4)N(C)N=C3C2=O)CC1)C1=CC=CC=C1", "label": -1}, "8556": {"pro_comp_id": 5457, "tar_path": "USP7_Q93009.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "USP7_Q93009_527_lig_smina_out.mol2", "protac_path": "5457_protac.mol2", "smiles": "C[C@H](CC(=O)N1CCC(O)(CN2C=NC3=C(C4=CC=C(CNCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C=C4)N(C)N=C3C2=O)CC1)C1=CC=CC=C1", "label": -1}, "8557": {"pro_comp_id": 5458, "tar_path": "USP7_Q93009.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "USP7_Q93009_527_lig_smina_out.mol2", "protac_path": "5458_protac.mol2", "smiles": "C[C@H](CC(=O)N1CCC(O)(CN2C=NC3=C(C4=CC=C(CNCCCCCCCCCCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C=C4)N(C)N=C3C2=O)CC1)C1=CC=CC=C1", "label": -1}, "8558": {"pro_comp_id": 5459, "tar_path": "USP7_Q93009.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "USP7_Q93009_527_lig_smina_out.mol2", "protac_path": "5459_protac.mol2", "smiles": "C[C@H](CC(=O)N1CCC(O)(CN2C=NC3=C(C4=CC=C(C5=CN(CCOCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)C=C4)N(C)N=C3C2=O)CC1)C1=CC=CC=C1", "label": -1}, "8567": {"pro_comp_id": 5468, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5468_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)C[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](C2=CC(C)=NO2)C(C)C)C2=CC=C(C3=C(C)N=CS3)C=C2)CC1", "label": -1}, "8568": {"pro_comp_id": 5469, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_24_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5469_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CNC(=O)C[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](C2=CC(C)=NO2)C(C)C)C2=CC=C(C3=C(C)N=CS3)C=C2)CC1", "label": -1}, "8569": {"pro_comp_id": 5470, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_24_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5470_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCNC(=O)C[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](C2=CC(C)=NO2)C(C)C)C2=CC=C(C3=C(C)N=CS3)C=C2)CC1", "label": -1}, "8570": {"pro_comp_id": 5471, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_24_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5471_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCCNC(=O)C[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](C2=CC(C)=NO2)C(C)C)C2=CC=C(C3=C(C)N=CS3)C=C2)CC1", "label": -1}, "8571": {"pro_comp_id": 5472, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_24_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5472_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCCCNC(=O)C[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](C2=CC(C)=NO2)C(C)C)C2=CC=C(C3=C(C)N=CS3)C=C2)CC1", "label": -1}, "8572": {"pro_comp_id": 5473, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_24_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5473_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCCCCNC(=O)C[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](C2=CC(C)=NO2)C(C)C)C2=CC=C(C3=C(C)N=CS3)C=C2)CC1", "label": -1}, "8573": {"pro_comp_id": 5474, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_24_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5474_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCCCCCNC(=O)C[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](C2=CC(C)=NO2)C(C)C)C2=CC=C(C3=C(C)N=CS3)C=C2)CC1", "label": -1}, "8574": {"pro_comp_id": 5475, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_24_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5475_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCCCCCCNC(=O)C[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](C2=CC(C)=NO2)C(C)C)C2=CC=C(C3=C(C)N=CS3)C=C2)CC1", "label": -1}, "8575": {"pro_comp_id": 5476, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_24_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5476_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCCCCCCCNC(=O)C[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](C2=CC(C)=NO2)C(C)C)C2=CC=C(C3=C(C)N=CS3)C=C2)CC1", "label": -1}, "8576": {"pro_comp_id": 5477, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_24_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5477_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCCCCCCCCNC(=O)C[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](C2=CC(C)=NO2)C(C)C)C2=CC=C(C3=C(C)N=CS3)C=C2)CC1", "label": -1}, "8577": {"pro_comp_id": 5478, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_24_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5478_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCCCCCCCCCNC(=O)C[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](C2=CC(C)=NO2)C(C)C)C2=CC=C(C3=C(C)N=CS3)C=C2)CC1", "label": -1}, "8578": {"pro_comp_id": 5479, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5479_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)C2CCN(C3CCN(C(=O)C[C@H](NC(=O)[C@@H]4C[C@@H](O)CN4C(=O)[C@@H](C4=CC(C)=NO4)C(C)C)C4=CC=C(C5=C(C)N=CS5)C=C4)CC3)CC2)CC1", "label": -1}, "8579": {"pro_comp_id": 5480, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_25_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5480_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)C[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C2=CC=C(C3=C(C)N=CS3)C=C2)CC1", "label": -1}, "8580": {"pro_comp_id": 5481, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_25_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5481_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CNC(=O)C[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C2=CC=C(C3=C(C)N=CS3)C=C2)CC1", "label": -1}, "8581": {"pro_comp_id": 5482, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_25_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5482_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCNC(=O)C[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C2=CC=C(C3=C(C)N=CS3)C=C2)CC1", "label": -1}, "8582": {"pro_comp_id": 5483, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_25_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5483_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCCNC(=O)C[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C2=CC=C(C3=C(C)N=CS3)C=C2)CC1", "label": -1}, "8583": {"pro_comp_id": 5484, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_25_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5484_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCCCNC(=O)C[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C2=CC=C(C3=C(C)N=CS3)C=C2)CC1", "label": -1}, "8584": {"pro_comp_id": 5485, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_25_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5485_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCCCCNC(=O)C[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C2=CC=C(C3=C(C)N=CS3)C=C2)CC1", "label": -1}, "8585": {"pro_comp_id": 5486, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_25_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5486_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCCCCCNC(=O)C[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C2=CC=C(C3=C(C)N=CS3)C=C2)CC1", "label": -1}, "8586": {"pro_comp_id": 5487, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_25_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5487_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCCCCCCNC(=O)C[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C2=CC=C(C3=C(C)N=CS3)C=C2)CC1", "label": -1}, "8587": {"pro_comp_id": 5488, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_25_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5488_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCCCCCCCNC(=O)C[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C2=CC=C(C3=C(C)N=CS3)C=C2)CC1", "label": -1}, "8588": {"pro_comp_id": 5489, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_25_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5489_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCCCCCCCCNC(=O)C[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C2=CC=C(C3=C(C)N=CS3)C=C2)CC1", "label": -1}, "8589": {"pro_comp_id": 5490, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_25_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5490_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCCCCCCCCCNC(=O)C[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C2=CC=C(C3=C(C)N=CS3)C=C2)CC1", "label": -1}, "8590": {"pro_comp_id": 5491, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_25_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5491_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)C2CCN(C3CCN(C(=O)C[C@H](NC(=O)[C@@H]4C[C@@H](O)CN4C(=O)[C@@H](NC(=O)C4(F)CC4)C(C)(C)C)C4=CC=C(C5=C(C)N=CS5)C=C4)CC3)CC2)CC1", "label": -1}, "8591": {"pro_comp_id": 5492, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_24_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5492_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)COCCNC(=O)C[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](C2=CC(C)=NO2)C(C)C)C2=CC=C(C3=C(C)N=CS3)C=C2)CC1", "label": -1}, "8592": {"pro_comp_id": 5493, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_24_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5493_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCOCCNC(=O)C[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](C2=CC(C)=NO2)C(C)C)C2=CC=C(C3=C(C)N=CS3)C=C2)CC1", "label": -1}, "8593": {"pro_comp_id": 5494, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_24_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5494_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)COCCOCCNC(=O)C[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](C2=CC(C)=NO2)C(C)C)C2=CC=C(C3=C(C)N=CS3)C=C2)CC1", "label": -1}, "8594": {"pro_comp_id": 5495, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_24_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5495_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCOCCOCCNC(=O)C[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](C2=CC(C)=NO2)C(C)C)C2=CC=C(C3=C(C)N=CS3)C=C2)CC1", "label": -1}, "8595": {"pro_comp_id": 5496, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_24_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5496_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)COCCOCCOCCNC(=O)C[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](C2=CC(C)=NO2)C(C)C)C2=CC=C(C3=C(C)N=CS3)C=C2)CC1", "label": -1}, "8596": {"pro_comp_id": 5497, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_24_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5497_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCOCCOCCOCCNC(=O)C[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](C2=CC(C)=NO2)C(C)C)C2=CC=C(C3=C(C)N=CS3)C=C2)CC1", "label": -1}, "8597": {"pro_comp_id": 5498, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_24_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5498_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCOCCOCCOCCOCCNC(=O)C[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](C2=CC(C)=NO2)C(C)C)C2=CC=C(C3=C(C)N=CS3)C=C2)CC1", "label": -1}, "8598": {"pro_comp_id": 5499, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_24_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5499_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCOCCOCCOCCOCCOCCNC(=O)C[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](C2=CC(C)=NO2)C(C)C)C2=CC=C(C3=C(C)N=CS3)C=C2)CC1", "label": -1}, "8599": {"pro_comp_id": 5500, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_25_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5500_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)COCCNC(=O)C[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C2=CC=C(C3=C(C)N=CS3)C=C2)CC1", "label": -1}, "8600": {"pro_comp_id": 5501, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_25_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5501_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCOCCNC(=O)C[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C2=CC=C(C3=C(C)N=CS3)C=C2)CC1", "label": -1}, "8601": {"pro_comp_id": 5502, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_25_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5502_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)COCCOCCNC(=O)C[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C2=CC=C(C3=C(C)N=CS3)C=C2)CC1", "label": -1}, "8602": {"pro_comp_id": 5503, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_25_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5503_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCOCCOCCNC(=O)C[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C2=CC=C(C3=C(C)N=CS3)C=C2)CC1", "label": -1}, "8603": {"pro_comp_id": 5504, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_25_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5504_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)COCCOCCOCCNC(=O)C[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C2=CC=C(C3=C(C)N=CS3)C=C2)CC1", "label": -1}, "8604": {"pro_comp_id": 5505, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_25_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5505_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCOCCOCCOCCNC(=O)C[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C2=CC=C(C3=C(C)N=CS3)C=C2)CC1", "label": -1}, "8605": {"pro_comp_id": 5506, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_25_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5506_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCOCCOCCOCCOCCNC(=O)C[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C2=CC=C(C3=C(C)N=CS3)C=C2)CC1", "label": -1}, "8606": {"pro_comp_id": 5507, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_25_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5507_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCOCCOCCOCCOCCOCCNC(=O)C[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C2=CC=C(C3=C(C)N=CS3)C=C2)CC1", "label": -1}, "8607": {"pro_comp_id": 5508, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5508_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CC1", "label": -1}, "8608": {"pro_comp_id": 5509, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5509_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CC1", "label": -1}, "8609": {"pro_comp_id": 5510, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5510_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CC1", "label": -1}, "8610": {"pro_comp_id": 5511, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5511_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CC1", "label": -1}, "8611": {"pro_comp_id": 5512, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5512_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCCCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CC1", "label": -1}, "8612": {"pro_comp_id": 5513, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5513_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCCCCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CC1", "label": -1}, "8613": {"pro_comp_id": 5514, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5514_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCCCCCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CC1", "label": -1}, "8614": {"pro_comp_id": 5515, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5515_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCOCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CC1", "label": -1}, "8615": {"pro_comp_id": 5516, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5516_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCOCCOCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CC1", "label": -1}, "8616": {"pro_comp_id": 5517, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5517_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCOCCOCCOCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CC1", "label": -1}, "8617": {"pro_comp_id": 5518, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5518_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCOCCOCCOCCOCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CC1", "label": -1}, "8618": {"pro_comp_id": 5519, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5519_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCOCCOCCOCCOCCOCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CC1", "label": -1}, "8619": {"pro_comp_id": 5520, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5520_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(CCC(=O)NCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CC1", "label": -1}, "8620": {"pro_comp_id": 5521, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5521_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(CCC(=O)NCCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CC1", "label": -1}, "8621": {"pro_comp_id": 5522, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5522_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(CCC(=O)NCCCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CC1", "label": -1}, "8622": {"pro_comp_id": 5523, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5523_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(CCC(=O)NCCCCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CC1", "label": -1}, "8623": {"pro_comp_id": 5524, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5524_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(CCC(=O)NCCCCCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CC1", "label": -1}, "8624": {"pro_comp_id": 5525, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5525_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(CCC(=O)NCCCCCCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CC1", "label": -1}, "8625": {"pro_comp_id": 5526, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5526_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(CCC(=O)NCCCCCCCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CC1", "label": -1}, "8626": {"pro_comp_id": 5527, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5527_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(CCC(=O)NCCOCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CC1", "label": -1}, "8627": {"pro_comp_id": 5528, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5528_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(CCC(=O)NCCOCCOCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CC1", "label": -1}, "8628": {"pro_comp_id": 5529, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5529_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(CCC(=O)NCCOCCOCCOCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CC1", "label": -1}, "8629": {"pro_comp_id": 5530, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5530_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(CCC(=O)NCCOCCOCCOCCOCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CC1", "label": -1}, "8630": {"pro_comp_id": 5531, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EGFR_L858R_P00533_38_lig_smina_out.mol2", "protac_path": "5531_protac.mol2", "smiles": "COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(CCC(=O)NCCOCCOCCOCCOCCOCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CC1", "label": -1}, "8646": {"pro_comp_id": 5547, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AURKA_O14965_239_lig_smina_out.mol2", "protac_path": "5547_protac.mol2", "smiles": "COC1=CC(NC2=NC=C3CN=C(C4=C(F)C=CC=C4OC)C4=CC(Cl)=CC=C4C3=N2)=CC=C1C(=O)NCCOCCOCCOC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8647": {"pro_comp_id": 5548, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AURKA_O14965_239_lig_smina_out.mol2", "protac_path": "5548_protac.mol2", "smiles": "COC1=CC(NC2=NC=C3CN=C(C4=C(F)C=CC=C4OC)C4=CC(Cl)=CC=C4C3=N2)=CC=C1C(=O)NCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8648": {"pro_comp_id": 5549, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AURKA_O14965_239_lig_smina_out.mol2", "protac_path": "5549_protac.mol2", "smiles": "COC1=CC(NC2=NC=C3CN=C(C4=C(F)C=CC=C4OC)C4=CC(Cl)=CC=C4C3=N2)=CC=C1C(=O)NCCCCCCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C", "label": -1}, "8651": {"pro_comp_id": 5552, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AURKA_O14965_239_lig_smina_out.mol2", "protac_path": "5552_protac.mol2", "smiles": "COC1=CC(NC2=NC=C3CN=C(C4=C(F)C=CC=C4OC)C4=CC(Cl)=CC=C4C3=N2)=CC=C1C(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C", "label": -1}, "8652": {"pro_comp_id": 5553, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AURKA_O14965_239_lig_smina_out.mol2", "protac_path": "5553_protac.mol2", "smiles": "COC1=CC(NC2=NC=C3CN=C(C4=C(F)C=CC=C4OC)C4=CC(Cl)=CC=C4C3=N2)=CC=C1C(=O)NCCOCCOCCOCCOCCOC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8654": {"pro_comp_id": 5555, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "AURKA_O14965_239_lig_smina_out.mol2", "protac_path": "5555_protac.mol2", "smiles": "COC1=CC(NC2=NC=C3CN=C(C4=C(F)C=CC=C4OC)C4=CC(Cl)=CC=C4C3=N2)=CC=C1C(=O)NCCOCCOCCOCCOC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8655": {"pro_comp_id": 5556, "tar_path": "AURKA_O14965.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "AURKA_O14965_239_lig_smina_out.mol2", "protac_path": "5556_protac.mol2", "smiles": "COC1=CC(NC2=NC=C3CN=C(C4=C(F)C=CC=C4OC)C4=CC(Cl)=CC=C4C3=N2)=CC=C1C(=O)NCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C", "label": -1}, "8657": {"pro_comp_id": 5558, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_530_lig_smina_out.mol2", "protac_path": "5558_protac.mol2", "smiles": "CN1N=CC(Cl)=C1C1=CC=C(C(=O)N[C@@H]2CN[C@H](CC(=O)NCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C[C@H]2C2=CC=CC(F)=C2)S1", "label": -1}, "8658": {"pro_comp_id": 5559, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_530_lig_smina_out.mol2", "protac_path": "5559_protac.mol2", "smiles": "CN1N=CC(Cl)=C1C1=CC=C(C(=O)N[C@@H]2CN[C@H](CC(=O)NCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C[C@H]2C2=CC=CC(F)=C2)S1", "label": -1}, "8659": {"pro_comp_id": 5560, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_530_lig_smina_out.mol2", "protac_path": "5560_protac.mol2", "smiles": "CN1N=CC(Cl)=C1C1=CC=C(C(=O)N[C@@H]2CN[C@H](CC(=O)NCCOCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C[C@H]2C2=CC=CC(F)=C2)S1", "label": -1}, "8660": {"pro_comp_id": 5561, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_530_lig_smina_out.mol2", "protac_path": "5561_protac.mol2", "smiles": "CN1N=CC(Cl)=C1C1=CC=C(C(=O)N[C@@H]2CN[C@H](CC(=O)NC3=CC=C(OCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)C[C@H]2C2=CC=CC(F)=C2)S1", "label": -1}, "8661": {"pro_comp_id": 5562, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_530_lig_smina_out.mol2", "protac_path": "5562_protac.mol2", "smiles": "CN1N=CC(Cl)=C1C1=CC=C(C(=O)N[C@@H]2CN[C@H](CC(=O)NC3=CC=C(OCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)C[C@H]2C2=CC=CC(F)=C2)S1", "label": -1}, "8662": {"pro_comp_id": 5563, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_530_lig_smina_out.mol2", "protac_path": "5563_protac.mol2", "smiles": "CN1N=CC(Cl)=C1C1=CC=C(C(=O)N[C@@H]2CN[C@H](CC(=O)NC3=CC=C(OCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)C[C@H]2C2=CC=CC(F)=C2)S1", "label": -1}, "8663": {"pro_comp_id": 5564, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_530_lig_smina_out.mol2", "protac_path": "5564_protac.mol2", "smiles": "CN1N=CC(Cl)=C1C1=C(Cl)OC(C(=O)N[C@@H]2CN[C@H](CC(=O)NC3=CC=C(OCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)C[C@H]2C2=CC=CC(F)=C2)=C1", "label": -1}, "8664": {"pro_comp_id": 5564, "tar_path": "AKT2_P31751.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT2_P31751_530_lig_smina_out.mol2", "protac_path": "5564_protac.mol2", "smiles": "CN1N=CC(Cl)=C1C1=C(Cl)OC(C(=O)N[C@@H]2CN[C@H](CC(=O)NC3=CC=C(OCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)C[C@H]2C2=CC=CC(F)=C2)=C1", "label": -1}, "8665": {"pro_comp_id": 5564, "tar_path": "AKT3_Q9Y243.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT3_Q9Y243_530_lig_smina_out.mol2", "protac_path": "5564_protac.mol2", "smiles": "CN1N=CC(Cl)=C1C1=C(Cl)OC(C(=O)N[C@@H]2CN[C@H](CC(=O)NC3=CC=C(OCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)C[C@H]2C2=CC=CC(F)=C2)=C1", "label": -1}, "8666": {"pro_comp_id": 5565, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_530_lig_smina_out.mol2", "protac_path": "5565_protac.mol2", "smiles": "CN1N=CC(Cl)=C1C1=CC=C(C(=O)N[C@@H]2CN[C@H](CC(=O)NC3=CC=C(OCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)C[C@H]2C2=CC=CC(F)=C2)S1", "label": -1}, "8667": {"pro_comp_id": 5566, "tar_path": "AKT1_P31749.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "AKT1_P31749_530_lig_smina_out.mol2", "protac_path": "5566_protac.mol2", "smiles": "CN1N=CC(Cl)=C1C1=CC=C(C(=O)N[C@@H]2CN[C@H](CC(=O)NC3=CC=C(OCCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)C[C@H]2C2=CC=CC(F)=C2)S1", "label": -1}, "8668": {"pro_comp_id": 5567, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_531_lig_smina_out.mol2", "protac_path": "5567_protac.mol2", "smiles": "CC1=CC(C)=C(CNC(=O)C2=CC(C3=CC=C(N4CCN(C(=O)CCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)=CC3=C2C=NN3C(C)C)C(=O)[NH]1", "label": -1}, "8669": {"pro_comp_id": 5568, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_531_lig_smina_out.mol2", "protac_path": "5568_protac.mol2", "smiles": "CC1=CC(C)=C(CNC(=O)C2=CC(C3=CC=C(N4CCN(C(=O)CCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)=CC3=C2C=NN3C(C)C)C(=O)[NH]1", "label": -1}, "8670": {"pro_comp_id": 5569, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_531_lig_smina_out.mol2", "protac_path": "5569_protac.mol2", "smiles": "CC1=CC(C)=C(CNC(=O)C2=CC(C3=CC=C(N4CCN(C(=O)CCCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)=CC3=C2C=NN3C(C)C)C(=O)[NH]1", "label": -1}, "8671": {"pro_comp_id": 5570, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_531_lig_smina_out.mol2", "protac_path": "5570_protac.mol2", "smiles": "CC1=CC(C)=C(CNC(=O)C2=CC(C3=CC=C(N4CCN(C(=O)CN5C=C(CCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)N=N5)CC4)N=C3)=CC3=C2C=NN3C(C)C)C(=O)[NH]1", "label": -1}, "8672": {"pro_comp_id": 5571, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_531_lig_smina_out.mol2", "protac_path": "5571_protac.mol2", "smiles": "CC1=CC(C)=C(CNC(=O)C2=CC(C3=CC=C(N4CCN(C(=O)CN5C=C(CCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)N=N5)CC4)N=C3)=CC3=C2C=NN3C(C)C)C(=O)[NH]1", "label": -1}, "8673": {"pro_comp_id": 5572, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_531_lig_smina_out.mol2", "protac_path": "5572_protac.mol2", "smiles": "CC1=CC(C)=C(CNC(=O)C2=CC(C3=CC=C(N4CCN(C(=O)CN5C=C(CCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)N=N5)CC4)N=C3)=CC3=C2C=NN3C(C)C)C(=O)[NH]1", "label": -1}, "8674": {"pro_comp_id": 5573, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_531_lig_smina_out.mol2", "protac_path": "5573_protac.mol2", "smiles": "CC1=CC(C)=C(CNC(=O)C2=CC(C3=CC=C(N4CCN(C(=O)CCCCN5C=C(CCCCC(=O)N[C@H](C(=O)N6C[C@@H](O)C[C@@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)N=N5)CC4)N=C3)=CC3=C2C=NN3C(C)C)C(=O)[NH]1", "label": -1}, "8675": {"pro_comp_id": 5574, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_531_lig_smina_out.mol2", "protac_path": "5574_protac.mol2", "smiles": "CC1=CC(C)=C(CNC(=O)C2=CC(C3=CC=C(N4CCN(C(=O)CCCCCN5C=C(CCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)N=N5)CC4)N=C3)=CC3=C2C=NN3C(C)C)C(=O)[NH]1", "label": -1}, "8676": {"pro_comp_id": 5575, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_531_lig_smina_out.mol2", "protac_path": "5575_protac.mol2", "smiles": "CC1=CC(C)=C(CNC(=O)C2=CC(C3=CC=C(N4CCN(C(=O)CCCCCN5C=C(CCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)N=N5)CC4)N=C3)=CC3=C2C=NN3C(C)C)C(=O)[NH]1", "label": -1}, "8677": {"pro_comp_id": 5576, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_531_lig_smina_out.mol2", "protac_path": "5576_protac.mol2", "smiles": "CC1=CC(C)=C(CNC(=O)C2=CC(C3=CC=C(N4CCN(C(=O)CCCCCN5C=C(CCCCCCCCC(=O)N[C@H](C(=O)N6C[C@@H](O)C[C@@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)N=N5)CC4)N=C3)=CC3=C2C=NN3C(C)C)C(=O)[NH]1", "label": -1}, "8678": {"pro_comp_id": 5577, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EZH2_Q15910_531_lig_smina_out.mol2", "protac_path": "5577_protac.mol2", "smiles": "CC1=CC(C)=C(CNC(=O)C2=CC(C3=CC=C(N4CCN(C(=O)CCC5=CN(CCOCCOCCOCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)=CC3=C2C=NN3C(C)C)C(=O)[NH]1", "label": -1}, "8679": {"pro_comp_id": 5578, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EZH2_Q15910_531_lig_smina_out.mol2", "protac_path": "5578_protac.mol2", "smiles": "CC1=CC(C)=C(CNC(=O)C2=CC(C3=CC=C(N4CCN(C(=O)CCCC5=CN(CCOCCOCCOCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)=CC3=C2C=NN3C(C)C)C(=O)[NH]1", "label": -1}, "8680": {"pro_comp_id": 5579, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EZH2_Q15910_531_lig_smina_out.mol2", "protac_path": "5579_protac.mol2", "smiles": "CC1=CC(C)=C(CNC(=O)C2=CC(C3=CC=C(N4CCN(C(=O)CCCCC5=CN(CCOCCOCCOCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)=CC3=C2C=NN3C(C)C)C(=O)[NH]1", "label": -1}, "8681": {"pro_comp_id": 5580, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EZH2_Q15910_531_lig_smina_out.mol2", "protac_path": "5580_protac.mol2", "smiles": "CC1=CC(C)=C(CNC(=O)C2=CC(C3=CC=C(N4CCN(C(=O)CCCCCC5=CN(CCOCCOCCOCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)=CC3=C2C=NN3C(C)C)C(=O)[NH]1", "label": -1}, "8682": {"pro_comp_id": 5581, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EZH2_Q15910_531_lig_smina_out.mol2", "protac_path": "5581_protac.mol2", "smiles": "CC1=CC(C)=C(CNC(=O)C2=CC(C3=CC=C(N4CCN(C(=O)CCCCCCCCC5=CN(CCOCCOCCOCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)=CC3=C2C=NN3C(C)C)C(=O)[NH]1", "label": -1}, "8683": {"pro_comp_id": 5582, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EZH2_Q15910_531_lig_smina_out.mol2", "protac_path": "5582_protac.mol2", "smiles": "CC1=CC(C)=C(CNC(=O)C2=CC(C3=CC=C(N4CCN(C(=O)CCCCCCCCC5=CN(CCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)=CC3=C2C=NN3C(C)C)C(=O)[NH]1", "label": -1}, "8684": {"pro_comp_id": 5583, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EZH2_Q15910_531_lig_smina_out.mol2", "protac_path": "5583_protac.mol2", "smiles": "CC1=CC(C)=C(CNC(=O)C2=CC(C3=CC=C(N4CCN(C(=O)CCCCCCCCC5=CN(CCOCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)=CC3=C2C=NN3C(C)C)C(=O)[NH]1", "label": -1}, "8685": {"pro_comp_id": 5584, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EZH2_Q15910_531_lig_smina_out.mol2", "protac_path": "5584_protac.mol2", "smiles": "CC1=CC(C)=C(CNC(=O)C2=CC(C3=CC=C(N4CCN(C(=O)CCCCCCCCC5=CN(CCOCCOCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)=CC3=C2C=NN3C(C)C)C(=O)[NH]1", "label": -1}, "8686": {"pro_comp_id": 5585, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EZH2_Q15910_531_lig_smina_out.mol2", "protac_path": "5585_protac.mol2", "smiles": "CC1=CC(C)=C(CNC(=O)C2=CC(C3=CC=C(N4CCN(C(=O)CCCCCCCCC5=CN(CCOCCOCCOCCOCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)=CC3=C2C=NN3C(C)C)C(=O)[NH]1", "label": -1}, "8687": {"pro_comp_id": 5586, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EZH2_Q15910_531_lig_smina_out.mol2", "protac_path": "5586_protac.mol2", "smiles": "CC1=CC(C)=C(CNC(=O)C2=CC(C3=CC=C(N4CCN(C(=O)CCCCCCCCC5=CN(CCOCCOCCOCCOCCOCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)=CC3=C2C=NN3C(C)C)C(=O)[NH]1", "label": -1}, "8688": {"pro_comp_id": 5587, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EZH2_Q15910_531_lig_smina_out.mol2", "protac_path": "5587_protac.mol2", "smiles": "CC1=CC(C)=C(CNC(=O)C2=CC(C3=CC=C(N4CCN(CCCCC5=CN(CCOCCOCCOCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)=CC3=C2C=NN3C(C)C)C(=O)[NH]1", "label": -1}, "8689": {"pro_comp_id": 5588, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EZH2_Q15910_531_lig_smina_out.mol2", "protac_path": "5588_protac.mol2", "smiles": "CC1=CC(C)=C(CNC(=O)C2=CC(C3=CC=C(N4CCN(CCCCCCC5=CN(CCOCCOCCOCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)=CC3=C2C=NN3C(C)C)C(=O)[NH]1", "label": -1}, "8690": {"pro_comp_id": 5589, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EZH2_Q15910_219_lig_smina_out.mol2", "protac_path": "5589_protac.mol2", "smiles": "CC[C@@H](C)N1C=C(C)C2=C(C(=O)NCC3=C(C)C=C(C)[NH]C3=O)C=C(C3=CC=C(N4CCN(C(=O)CCCCCCCCC5=CN(CCOCCOCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)C=C21", "label": -1}, "8691": {"pro_comp_id": 5590, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EZH2_Q15910_219_lig_smina_out.mol2", "protac_path": "5590_protac.mol2", "smiles": "CC[C@@H](C)N1C=C(C)C2=C(C(=O)NCC3=C(C)C=C(C)[NH]C3=O)C=C(C3=CC=C(N4CCN(C(=O)CCCCCCCCC5=CN(CCOCCOCCOCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)C=C21", "label": -1}, "8692": {"pro_comp_id": 5591, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EZH2_Q15910_219_lig_smina_out.mol2", "protac_path": "5591_protac.mol2", "smiles": "CC[C@@H](C)N1C=C(C)C2=C(C(=O)NCC3=C(C)C=C(C)[NH]C3=O)C=C(C3=CC=C(N4CCN(C(=O)CCCCCCCCC5=CN(CCOCCOCCOCCOCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)C=C21", "label": -1}, "8693": {"pro_comp_id": 5592, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EZH2_Q15910_532_lig_smina_out.mol2", "protac_path": "5592_protac.mol2", "smiles": "CCN(C1=CC(C2=CC=C(N3CCN(C(=O)CCCCCCCCC4=CN(CCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)N=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1", "label": -1}, "8694": {"pro_comp_id": 5593, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EZH2_Q15910_532_lig_smina_out.mol2", "protac_path": "5593_protac.mol2", "smiles": "CCN(C1=CC(C2=CC=C(N3CCN(C(=O)CCCCCCCCC4=CN(CCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)N=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1", "label": -1}, "8695": {"pro_comp_id": 5594, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EZH2_Q15910_532_lig_smina_out.mol2", "protac_path": "5594_protac.mol2", "smiles": "CCN(C1=CC(C2=CC=C(N3CCN(C(=O)CCCCCCCCC4=CN(CCOCCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)N=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1", "label": -1}, "8696": {"pro_comp_id": 5595, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5595_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8697": {"pro_comp_id": 5595, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5595_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8698": {"pro_comp_id": 5595, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5595_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8699": {"pro_comp_id": 5596, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5596_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8700": {"pro_comp_id": 5596, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5596_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8701": {"pro_comp_id": 5596, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5596_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8702": {"pro_comp_id": 5597, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5597_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8703": {"pro_comp_id": 5597, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5597_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8704": {"pro_comp_id": 5597, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5597_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8705": {"pro_comp_id": 5598, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5598_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8706": {"pro_comp_id": 5598, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5598_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8707": {"pro_comp_id": 5598, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5598_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8708": {"pro_comp_id": 5599, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5599_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8709": {"pro_comp_id": 5599, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5599_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8710": {"pro_comp_id": 5599, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5599_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8711": {"pro_comp_id": 5600, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5600_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8712": {"pro_comp_id": 5600, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5600_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8713": {"pro_comp_id": 5600, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5600_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8714": {"pro_comp_id": 5601, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5601_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8715": {"pro_comp_id": 5601, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5601_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8716": {"pro_comp_id": 5601, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5601_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8717": {"pro_comp_id": 5602, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5602_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8718": {"pro_comp_id": 5602, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5602_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8719": {"pro_comp_id": 5602, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5602_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8720": {"pro_comp_id": 5603, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5603_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCCCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8721": {"pro_comp_id": 5603, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5603_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCCCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8722": {"pro_comp_id": 5603, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5603_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCCCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8723": {"pro_comp_id": 5604, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5604_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCCCCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8724": {"pro_comp_id": 5604, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5604_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCCCCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8725": {"pro_comp_id": 5604, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5604_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCCCCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8726": {"pro_comp_id": 5605, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5605_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8727": {"pro_comp_id": 5605, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5605_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8728": {"pro_comp_id": 5605, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5605_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8729": {"pro_comp_id": 5606, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5606_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8730": {"pro_comp_id": 5606, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5606_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8731": {"pro_comp_id": 5606, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5606_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8732": {"pro_comp_id": 5607, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5607_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8733": {"pro_comp_id": 5607, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5607_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8734": {"pro_comp_id": 5607, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5607_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8735": {"pro_comp_id": 5608, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5608_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCCCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8736": {"pro_comp_id": 5608, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5608_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCCCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8737": {"pro_comp_id": 5608, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5608_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCCCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8738": {"pro_comp_id": 5609, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5609_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCCCCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8739": {"pro_comp_id": 5609, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5609_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCCCCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8740": {"pro_comp_id": 5609, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5609_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCCCCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8741": {"pro_comp_id": 5610, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5610_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8742": {"pro_comp_id": 5610, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5610_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8743": {"pro_comp_id": 5610, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5610_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8744": {"pro_comp_id": 5611, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5611_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8745": {"pro_comp_id": 5611, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5611_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8746": {"pro_comp_id": 5611, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5611_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8747": {"pro_comp_id": 5612, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5612_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8748": {"pro_comp_id": 5612, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5612_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8749": {"pro_comp_id": 5612, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5612_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8750": {"pro_comp_id": 5613, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5613_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8751": {"pro_comp_id": 5613, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5613_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8752": {"pro_comp_id": 5613, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5613_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8753": {"pro_comp_id": 5614, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5614_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8754": {"pro_comp_id": 5614, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5614_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8755": {"pro_comp_id": 5614, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5614_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8756": {"pro_comp_id": 5615, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5615_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8757": {"pro_comp_id": 5615, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5615_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8758": {"pro_comp_id": 5615, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5615_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8759": {"pro_comp_id": 5616, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5616_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8760": {"pro_comp_id": 5616, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5616_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8761": {"pro_comp_id": 5616, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5616_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8762": {"pro_comp_id": 5617, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5617_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8763": {"pro_comp_id": 5617, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5617_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8764": {"pro_comp_id": 5617, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5617_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8765": {"pro_comp_id": 5618, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5618_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8766": {"pro_comp_id": 5618, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5618_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8767": {"pro_comp_id": 5618, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "EGFR_e19d_P00533_533_lig_smina_out.mol2", "protac_path": "5618_protac.mol2", "smiles": "C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1", "label": -1}, "8777": {"pro_comp_id": 5628, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_535_lig_smina_out.mol2", "protac_path": "5628_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOCCC(=O)N4CCN(C5=NC=C(C6=CN=C7[NH]C=C(C(=O)C8=C(F)C=CC(NS(=O)(=O)N9CC[C@@H](F)C9)=C8F)C7=C6)C=N5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "8778": {"pro_comp_id": 5629, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_535_lig_smina_out.mol2", "protac_path": "5629_protac.mol2", "smiles": "CN(CCNC(=O)CCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)C1=NC=C(C2=CN=C3[NH]C=C(C(=O)C4=C(F)C=CC(NS(=O)(=O)N5CC[C@@H](F)C5)=C4F)C3=C2)C=N1", "label": -1}, "8779": {"pro_comp_id": 5630, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_535_lig_smina_out.mol2", "protac_path": "5630_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCC(=O)N4CCC(CCCC(=O)N5CCN(C6=NC=C(C7=CN=C8[NH]C=C(C(=O)C9=C(F)C=CC(NS(=O)(=O)N%10CC[C@@H](F)C%10)=C9F)C8=C7)C=N6)CC5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "8780": {"pro_comp_id": 5631, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_535_lig_smina_out.mol2", "protac_path": "5631_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCC(=O)N4CCC(CCCC(=O)N5CCN(C6=NC=C(C7=CN=C8[NH]C=C(C(=O)C9=C(F)C=CC(NS(=O)(=O)N%10CC[C@@H](F)C%10)=C9F)C8=C7)C=N6)CC5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "8781": {"pro_comp_id": 5632, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_535_lig_smina_out.mol2", "protac_path": "5632_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCC(=O)N4CCC(CCCC(=O)N5CCN(C6=NC=C(C7=CN=C8[NH]C=C(C(=O)C9=C(F)C=CC(NS(=O)(=O)N%10CC[C@@H](F)C%10)=C9F)C8=C7)C=N6)CC5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "8782": {"pro_comp_id": 5633, "tar_path": "BRAF_P15056.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "BRAF_V600E_P15056_535_lig_smina_out.mol2", "protac_path": "5633_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOCCOCCOCCC(=O)N4CCC(CCCC(=O)N5CCN(C6=NC=C(C7=CN=C8[NH]C=C(C(=O)C9=C(F)C=CC(NS(=O)(=O)N%10CC[C@@H](F)C%10)=C9F)C8=C7)C=N6)CC5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "8783": {"pro_comp_id": 5634, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "5634_protac.mol2", "smiles": "CN1CCN(C2=CC=C(C3=CC=CC(CN4CCN(CCNC(=O)CCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=C3)C=C2NC(=O)C2=C[NH]C(=O)C=C2C(F)(F)F)CC1", "label": -1}, "8786": {"pro_comp_id": 5636, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_536_lig_smina_out.mol2", "protac_path": "5636_protac.mol2", "smiles": "CNC(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8787": {"pro_comp_id": 5637, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_536_lig_smina_out.mol2", "protac_path": "5637_protac.mol2", "smiles": "CNC(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCCCCCCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8788": {"pro_comp_id": 5638, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_536_lig_smina_out.mol2", "protac_path": "5638_protac.mol2", "smiles": "CNC(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCCOCCC(=O)NCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8789": {"pro_comp_id": 5639, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_536_lig_smina_out.mol2", "protac_path": "5639_protac.mol2", "smiles": "CNC(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8790": {"pro_comp_id": 5640, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_536_lig_smina_out.mol2", "protac_path": "5640_protac.mol2", "smiles": "CNC(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCCCC(=O)NC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8791": {"pro_comp_id": 5641, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_536_lig_smina_out.mol2", "protac_path": "5641_protac.mol2", "smiles": "CNC(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCCCCC(=O)NC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8792": {"pro_comp_id": 5642, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_536_lig_smina_out.mol2", "protac_path": "5642_protac.mol2", "smiles": "CNC(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCCCCCC(=O)NC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8793": {"pro_comp_id": 5643, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_536_lig_smina_out.mol2", "protac_path": "5643_protac.mol2", "smiles": "CNC(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCCCCCCC(=O)NC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8794": {"pro_comp_id": 5644, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_536_lig_smina_out.mol2", "protac_path": "5644_protac.mol2", "smiles": "CNC(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCCCCCCCC(=O)NC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8795": {"pro_comp_id": 5645, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_536_lig_smina_out.mol2", "protac_path": "5645_protac.mol2", "smiles": "CNC(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCCCCCCCCC(=O)NC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8796": {"pro_comp_id": 5646, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_536_lig_smina_out.mol2", "protac_path": "5646_protac.mol2", "smiles": "CNC(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCCCC(=O)NCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8797": {"pro_comp_id": 5647, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_536_lig_smina_out.mol2", "protac_path": "5647_protac.mol2", "smiles": "CNC(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCCCCC(=O)NCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8798": {"pro_comp_id": 5648, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_536_lig_smina_out.mol2", "protac_path": "5648_protac.mol2", "smiles": "CNC(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCCCCCC(=O)NCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8799": {"pro_comp_id": 5649, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_536_lig_smina_out.mol2", "protac_path": "5649_protac.mol2", "smiles": "CNC(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCCCCCCC(=O)NCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8800": {"pro_comp_id": 5650, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_536_lig_smina_out.mol2", "protac_path": "5650_protac.mol2", "smiles": "CNC(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCCCCCCCCC(=O)NCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8801": {"pro_comp_id": 5651, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_536_lig_smina_out.mol2", "protac_path": "5651_protac.mol2", "smiles": "CNC(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(C(=S)SCCCCCCCC(=O)NC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8802": {"pro_comp_id": 5652, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FAK_Q05397_536_lig_smina_out.mol2", "protac_path": "5652_protac.mol2", "smiles": "CNC(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(C(=S)SCCCCCCCCCC(=O)NC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8803": {"pro_comp_id": 5653, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FAK_Q05397_536_lig_smina_out.mol2", "protac_path": "5653_protac.mol2", "smiles": "CNC(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCCCC(=O)NC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8804": {"pro_comp_id": 5654, "tar_path": "FAK_Q05397.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FAK_Q05397_536_lig_smina_out.mol2", "protac_path": "5654_protac.mol2", "smiles": "CNC(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCCCC(=O)NC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1Cl", "label": -1}, "8805": {"pro_comp_id": 5655, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_T790M_P00533_537_lig_smina_out.mol2", "protac_path": "5655_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)COCCOCCN4N=C5[NH]C6=CC=CC=C6N=C5C4=O)=C3C2=O)C(=O)N1", "label": -1}, "8806": {"pro_comp_id": 5655, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_T790M_P00533_537_lig_smina_out.mol2", "protac_path": "5655_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)COCCOCCN4N=C5[NH]C6=CC=CC=C6N=C5C4=O)=C3C2=O)C(=O)N1", "label": -1}, "8807": {"pro_comp_id": 5656, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_P00533_538_lig_smina_out.mol2", "protac_path": "5656_protac.mol2", "smiles": "CN1C(=O)C(C(=O)NNCCOCCOCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=CC=CC=C21", "label": -1}, "8808": {"pro_comp_id": 5656, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_P00533_538_lig_smina_out.mol2", "protac_path": "5656_protac.mol2", "smiles": "CN1C(=O)C(C(=O)NNCCOCCOCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=CC=CC=C21", "label": -1}, "8809": {"pro_comp_id": 5657, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_T790M_P00533_539_lig_smina_out.mol2", "protac_path": "5657_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)COCCOCCOCCNC(=O)C4=NC5=CC=CC=C5[NH]C4=O)=C3C2=O)C(=O)N1", "label": -1}, "8810": {"pro_comp_id": 5657, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_T790M_P00533_539_lig_smina_out.mol2", "protac_path": "5657_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)COCCOCCOCCNC(=O)C4=NC5=CC=CC=C5[NH]C4=O)=C3C2=O)C(=O)N1", "label": -1}, "8811": {"pro_comp_id": 5658, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_T790M_P00533_540_lig_smina_out.mol2", "protac_path": "5658_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)COCCOCCNNC(=O)C4=CC=C(/N=C5\\C(=O)NC6=CC=CC=C56)C=C4)=C3C2=O)C(=O)N1", "label": -1}, "8812": {"pro_comp_id": 5658, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_T790M_P00533_540_lig_smina_out.mol2", "protac_path": "5658_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)COCCOCCNNC(=O)C4=CC=C(/N=C5\\C(=O)NC6=CC=CC=C56)C=C4)=C3C2=O)C(=O)N1", "label": -1}, "8813": {"pro_comp_id": 5659, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_P00533_541_lig_smina_out.mol2", "protac_path": "5659_protac.mol2", "smiles": "CN1C(=O)/C(=N\\C2=CC=C(C(=O)NNCCOCCOCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)C2=CC=CC=C21", "label": -1}, "8814": {"pro_comp_id": 5659, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_P00533_541_lig_smina_out.mol2", "protac_path": "5659_protac.mol2", "smiles": "CN1C(=O)/C(=N\\C2=CC=C(C(=O)NNCCOCCOCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)C2=CC=CC=C21", "label": -1}, "8815": {"pro_comp_id": 5660, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_P00533_542_lig_smina_out.mol2", "protac_path": "5660_protac.mol2", "smiles": "O=C(CSC1=NC2=CC=CC=C2O1)NNCCOCCOCC(=O)NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8816": {"pro_comp_id": 5660, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_P00533_542_lig_smina_out.mol2", "protac_path": "5660_protac.mol2", "smiles": "O=C(CSC1=NC2=CC=CC=C2O1)NNCCOCCOCC(=O)NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8817": {"pro_comp_id": 5661, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_T790M_P00533_543_lig_smina_out.mol2", "protac_path": "5661_protac.mol2", "smiles": "O=C(CSC1=NC2=CC=CC=C2S1)NNCCOCCOCC(=O)NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8818": {"pro_comp_id": 5661, "tar_path": "EGFR_L858R_P00533.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "EGFR_T790M_P00533_543_lig_smina_out.mol2", "protac_path": "5661_protac.mol2", "smiles": "O=C(CSC1=NC2=CC=CC=C2S1)NNCCOCCOCC(=O)NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8819": {"pro_comp_id": 5662, "tar_path": "STING_Q86WV6.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STING_Q86WV6_544_lig_smina_out.mol2", "protac_path": "5662_protac.mol2", "smiles": "O=C(CCC(=O)NC1=CC=C(NC(=O)C2=CC=C([N+](=O)[O-])O2)C=C1)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8820": {"pro_comp_id": 5663, "tar_path": "STING_Q86WV6.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STING_Q86WV6_544_lig_smina_out.mol2", "protac_path": "5663_protac.mol2", "smiles": "O=C(CCC(=O)NC1=CC=C(NC(=O)C2=CC=C([N+](=O)[O-])O2)C=C1)NCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8821": {"pro_comp_id": 5664, "tar_path": "STING_Q86WV6.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STING_Q86WV6_544_lig_smina_out.mol2", "protac_path": "5664_protac.mol2", "smiles": "O=C(CCC(=O)NC1=CC=C(NC(=O)C2=CC=C([N+](=O)[O-])O2)C=C1)NCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8822": {"pro_comp_id": 5665, "tar_path": "STING_Q86WV6.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STING_Q86WV6_544_lig_smina_out.mol2", "protac_path": "5665_protac.mol2", "smiles": "O=C(CCC(=O)NC1=CC=C(NC(=O)C2=CC=C([N+](=O)[O-])O2)C=C1)NCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8823": {"pro_comp_id": 5666, "tar_path": "STING_Q86WV6.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STING_Q86WV6_544_lig_smina_out.mol2", "protac_path": "5666_protac.mol2", "smiles": "O=C(CCC(=O)NC1=CC=C(NC(=O)C2=CC=C([N+](=O)[O-])O2)C=C1)NCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8824": {"pro_comp_id": 5667, "tar_path": "STING_Q86WV6.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STING_Q86WV6_544_lig_smina_out.mol2", "protac_path": "5667_protac.mol2", "smiles": "O=C(CCC(=O)NC1=CC=C(NC(=O)C2=CC=C([N+](=O)[O-])O2)C=C1)NCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8825": {"pro_comp_id": 5668, "tar_path": "STING_Q86WV6.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STING_Q86WV6_544_lig_smina_out.mol2", "protac_path": "5668_protac.mol2", "smiles": "O=C(CCCC(=O)NC1=CC=C(NC(=O)C2=CC=C([N+](=O)[O-])O2)C=C1)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8826": {"pro_comp_id": 5669, "tar_path": "STING_Q86WV6.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STING_Q86WV6_544_lig_smina_out.mol2", "protac_path": "5669_protac.mol2", "smiles": "O=C(CCCC(=O)NC1=CC=C(NC(=O)C2=CC=C([N+](=O)[O-])O2)C=C1)NCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8827": {"pro_comp_id": 5670, "tar_path": "STING_Q86WV6.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STING_Q86WV6_544_lig_smina_out.mol2", "protac_path": "5670_protac.mol2", "smiles": "O=C(CCCC(=O)NC1=CC=C(NC(=O)C2=CC=C([N+](=O)[O-])O2)C=C1)NCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8828": {"pro_comp_id": 5671, "tar_path": "STING_Q86WV6.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STING_Q86WV6_544_lig_smina_out.mol2", "protac_path": "5671_protac.mol2", "smiles": "O=C(CCCC(=O)NC1=CC=C(NC(=O)C2=CC=C([N+](=O)[O-])O2)C=C1)NCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8829": {"pro_comp_id": 5672, "tar_path": "STING_Q86WV6.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STING_Q86WV6_544_lig_smina_out.mol2", "protac_path": "5672_protac.mol2", "smiles": "O=C(CCCC(=O)NC1=CC=C(NC(=O)C2=CC=C([N+](=O)[O-])O2)C=C1)NCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8830": {"pro_comp_id": 5673, "tar_path": "STING_Q86WV6.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STING_Q86WV6_544_lig_smina_out.mol2", "protac_path": "5673_protac.mol2", "smiles": "O=C(CCCC(=O)NC1=CC=C(NC(=O)C2=CC=C([N+](=O)[O-])O2)C=C1)NCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8831": {"pro_comp_id": 5674, "tar_path": "STING_Q86WV6.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STING_Q86WV6_544_lig_smina_out.mol2", "protac_path": "5674_protac.mol2", "smiles": "O=C(COCC(=O)NC1=CC=C(NC(=O)C2=CC=C([N+](=O)[O-])O2)C=C1)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8832": {"pro_comp_id": 5675, "tar_path": "STING_Q86WV6.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STING_Q86WV6_544_lig_smina_out.mol2", "protac_path": "5675_protac.mol2", "smiles": "O=C(COCC(=O)NC1=CC=C(NC(=O)C2=CC=C([N+](=O)[O-])O2)C=C1)NCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8833": {"pro_comp_id": 5676, "tar_path": "STING_Q86WV6.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STING_Q86WV6_544_lig_smina_out.mol2", "protac_path": "5676_protac.mol2", "smiles": "O=C(COCC(=O)NC1=CC=C(NC(=O)C2=CC=C([N+](=O)[O-])O2)C=C1)NCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8834": {"pro_comp_id": 5677, "tar_path": "STING_Q86WV6.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STING_Q86WV6_544_lig_smina_out.mol2", "protac_path": "5677_protac.mol2", "smiles": "O=C(COCC(=O)NC1=CC=C(NC(=O)C2=CC=C([N+](=O)[O-])O2)C=C1)NCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8835": {"pro_comp_id": 5678, "tar_path": "STING_Q86WV6.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STING_Q86WV6_544_lig_smina_out.mol2", "protac_path": "5678_protac.mol2", "smiles": "O=C(COCC(=O)NC1=CC=C(NC(=O)C2=CC=C([N+](=O)[O-])O2)C=C1)NCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8836": {"pro_comp_id": 5679, "tar_path": "STING_Q86WV6.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STING_Q86WV6_544_lig_smina_out.mol2", "protac_path": "5679_protac.mol2", "smiles": "O=C(COCC(=O)NC1=CC=C(NC(=O)C2=CC=C([N+](=O)[O-])O2)C=C1)NCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8837": {"pro_comp_id": 5680, "tar_path": "STING_Q86WV6.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STING_Q86WV6_544_lig_smina_out.mol2", "protac_path": "5680_protac.mol2", "smiles": "O=C(/C=C/C(=O)NC1=CC=C(NC(=O)C2=CC=C([N+](=O)[O-])O2)C=C1)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8838": {"pro_comp_id": 5681, "tar_path": "STING_Q86WV6.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STING_Q86WV6_544_lig_smina_out.mol2", "protac_path": "5681_protac.mol2", "smiles": "O=C(/C=C/C(=O)NC1=CC=C(NC(=O)C2=CC=C([N+](=O)[O-])O2)C=C1)NCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8839": {"pro_comp_id": 5682, "tar_path": "STING_Q86WV6.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STING_Q86WV6_544_lig_smina_out.mol2", "protac_path": "5682_protac.mol2", "smiles": "O=C(/C=C/C(=O)NC1=CC=C(NC(=O)C2=CC=C([N+](=O)[O-])O2)C=C1)NCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8840": {"pro_comp_id": 5683, "tar_path": "STING_Q86WV6.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STING_Q86WV6_544_lig_smina_out.mol2", "protac_path": "5683_protac.mol2", "smiles": "O=C(/C=C/C(=O)NC1=CC=C(NC(=O)C2=CC=C([N+](=O)[O-])O2)C=C1)NCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8841": {"pro_comp_id": 5684, "tar_path": "STING_Q86WV6.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STING_Q86WV6_544_lig_smina_out.mol2", "protac_path": "5684_protac.mol2", "smiles": "O=C(/C=C/C(=O)NC1=CC=C(NC(=O)C2=CC=C([N+](=O)[O-])O2)C=C1)NCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8842": {"pro_comp_id": 5685, "tar_path": "STING_Q86WV6.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "STING_Q86WV6_544_lig_smina_out.mol2", "protac_path": "5685_protac.mol2", "smiles": "O=C(/C=C/C(=O)NC1=CC=C(NC(=O)C2=CC=C([N+](=O)[O-])O2)C=C1)NCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8843": {"pro_comp_id": 5686, "tar_path": "PARP2_Q9UGN5.pdb", "e3_ligase_path": "DCAF16_Q9NXF7.pdb", "e3_lig_path": "DCAF16_Q9NXF7_41_lig_smina_out.mol2", "war_path": "PARP2_Q9UGN5_22_lig_smina_out.mol2", "protac_path": "5686_protac.mol2", "smiles": "O=C(COC1=CC=C2C(=C1)CCCN2C(=O)CCl)NCCNC(=O)CN1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1", "label": -1}, "8844": {"pro_comp_id": 5687, "tar_path": "PARP2_Q9UGN5.pdb", "e3_ligase_path": "DCAF16_Q9NXF7.pdb", "e3_lig_path": "DCAF16_Q9NXF7_41_lig_smina_out.mol2", "war_path": "PARP2_Q9UGN5_22_lig_smina_out.mol2", "protac_path": "5687_protac.mol2", "smiles": "O=C(COC1=CC=C2C(=C1)CCCN2C(=O)CCl)NCCCNC(=O)CN1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1", "label": -1}, "8845": {"pro_comp_id": 5688, "tar_path": "PARP2_Q9UGN5.pdb", "e3_ligase_path": "DCAF16_Q9NXF7.pdb", "e3_lig_path": "DCAF16_Q9NXF7_41_lig_smina_out.mol2", "war_path": "PARP2_Q9UGN5_22_lig_smina_out.mol2", "protac_path": "5688_protac.mol2", "smiles": "O=C(COC1=CC=C2C(=C1)CCCN2C(=O)CCl)NCCCCNC(=O)CN1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1", "label": -1}, "8846": {"pro_comp_id": 5689, "tar_path": "PARP2_Q9UGN5.pdb", "e3_ligase_path": "DCAF16_Q9NXF7.pdb", "e3_lig_path": "DCAF16_Q9NXF7_41_lig_smina_out.mol2", "war_path": "PARP2_Q9UGN5_22_lig_smina_out.mol2", "protac_path": "5689_protac.mol2", "smiles": "O=C(COC1=CC=C2C(=C1)CCCN2C(=O)CCl)NCCCCCCNC(=O)CN1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1", "label": -1}, "8847": {"pro_comp_id": 5690, "tar_path": "PARP2_Q9UGN5.pdb", "e3_ligase_path": "DCAF16_Q9NXF7.pdb", "e3_lig_path": "DCAF16_Q9NXF7_41_lig_smina_out.mol2", "war_path": "PARP2_Q9UGN5_22_lig_smina_out.mol2", "protac_path": "5690_protac.mol2", "smiles": "O=C(COC1=CC=C2C(=C1)CCCN2C(=O)CCl)NCCOCCNC(=O)CN1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1", "label": -1}, "8848": {"pro_comp_id": 5691, "tar_path": "PARP2_Q9UGN5.pdb", "e3_ligase_path": "DCAF16_Q9NXF7.pdb", "e3_lig_path": "DCAF16_Q9NXF7_41_lig_smina_out.mol2", "war_path": "PARP2_Q9UGN5_22_lig_smina_out.mol2", "protac_path": "5691_protac.mol2", "smiles": "O=C(COC1=CC=C2C(=C1)CCCN2C(=O)CCl)NCCOCCOCCNC(=O)CN1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1", "label": -1}, "8849": {"pro_comp_id": 5692, "tar_path": "PARP2_Q9UGN5.pdb", "e3_ligase_path": "DCAF16_Q9NXF7.pdb", "e3_lig_path": "DCAF16_Q9NXF7_41_lig_smina_out.mol2", "war_path": "PARP2_Q9UGN5_22_lig_smina_out.mol2", "protac_path": "5692_protac.mol2", "smiles": "O=C(COC1=CC=C2C(=C1)CCCN2C(=O)CCl)NCCOCCOCCOCCNC(=O)CN1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1", "label": -1}, "8850": {"pro_comp_id": 5693, "tar_path": "PARP2_Q9UGN5.pdb", "e3_ligase_path": "DCAF16_Q9NXF7.pdb", "e3_lig_path": "DCAF16_Q9NXF7_41_lig_smina_out.mol2", "war_path": "PARP2_Q9UGN5_22_lig_smina_out.mol2", "protac_path": "5693_protac.mol2", "smiles": "O=C(COC1=CC=C2C(=C1)CCCN2C(=O)CCl)NCCOCCOCCOCCOCCNC(=O)CN1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1", "label": -1}, "8851": {"pro_comp_id": 5694, "tar_path": "PARP2_Q9UGN5.pdb", "e3_ligase_path": "DCAF16_Q9NXF7.pdb", "e3_lig_path": "DCAF16_Q9NXF7_41_lig_smina_out.mol2", "war_path": "PARP2_Q9UGN5_22_lig_smina_out.mol2", "protac_path": "5694_protac.mol2", "smiles": "O=C(CCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCNC(=O)COC1=CC=C2C(=C1)CCCN2C(=O)CCl", "label": -1}, "8852": {"pro_comp_id": 5695, "tar_path": "PARP2_Q9UGN5.pdb", "e3_ligase_path": "DCAF16_Q9NXF7.pdb", "e3_lig_path": "DCAF16_Q9NXF7_41_lig_smina_out.mol2", "war_path": "PARP2_Q9UGN5_22_lig_smina_out.mol2", "protac_path": "5695_protac.mol2", "smiles": "O=C(CCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCCNC(=O)COC1=CC=C2C(=C1)CCCN2C(=O)CCl", "label": -1}, "8853": {"pro_comp_id": 5696, "tar_path": "PARP2_Q9UGN5.pdb", "e3_ligase_path": "DCAF16_Q9NXF7.pdb", "e3_lig_path": "DCAF16_Q9NXF7_41_lig_smina_out.mol2", "war_path": "PARP2_Q9UGN5_22_lig_smina_out.mol2", "protac_path": "5696_protac.mol2", "smiles": "O=C(CCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCCCNC(=O)COC1=CC=C2C(=C1)CCCN2C(=O)CCl", "label": -1}, "8854": {"pro_comp_id": 5697, "tar_path": "PARP2_Q9UGN5.pdb", "e3_ligase_path": "DCAF16_Q9NXF7.pdb", "e3_lig_path": "DCAF16_Q9NXF7_41_lig_smina_out.mol2", "war_path": "PARP2_Q9UGN5_22_lig_smina_out.mol2", "protac_path": "5697_protac.mol2", "smiles": "O=C(CCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCCCCNC(=O)COC1=CC=C2C(=C1)CCCN2C(=O)CCl", "label": -1}, "8855": {"pro_comp_id": 5698, "tar_path": "PARP2_Q9UGN5.pdb", "e3_ligase_path": "DCAF16_Q9NXF7.pdb", "e3_lig_path": "DCAF16_Q9NXF7_41_lig_smina_out.mol2", "war_path": "PARP2_Q9UGN5_22_lig_smina_out.mol2", "protac_path": "5698_protac.mol2", "smiles": "O=C(CCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCCCCCNC(=O)COC1=CC=C2C(=C1)CCCN2C(=O)CCl", "label": -1}, "8856": {"pro_comp_id": 5699, "tar_path": "PARP2_Q9UGN5.pdb", "e3_ligase_path": "DCAF16_Q9NXF7.pdb", "e3_lig_path": "DCAF16_Q9NXF7_41_lig_smina_out.mol2", "war_path": "PARP2_Q9UGN5_22_lig_smina_out.mol2", "protac_path": "5699_protac.mol2", "smiles": "O=C(CCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCCCCCCNC(=O)COC1=CC=C2C(=C1)CCCN2C(=O)CCl", "label": -1}, "8857": {"pro_comp_id": 5700, "tar_path": "PARP2_Q9UGN5.pdb", "e3_ligase_path": "DCAF16_Q9NXF7.pdb", "e3_lig_path": "DCAF16_Q9NXF7_41_lig_smina_out.mol2", "war_path": "PARP2_Q9UGN5_22_lig_smina_out.mol2", "protac_path": "5700_protac.mol2", "smiles": "O=C(CCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCOCCNC(=O)COC1=CC=C2C(=C1)CCCN2C(=O)CCl", "label": -1}, "8858": {"pro_comp_id": 5701, "tar_path": "PARP2_Q9UGN5.pdb", "e3_ligase_path": "DCAF16_Q9NXF7.pdb", "e3_lig_path": "DCAF16_Q9NXF7_41_lig_smina_out.mol2", "war_path": "PARP2_Q9UGN5_22_lig_smina_out.mol2", "protac_path": "5701_protac.mol2", "smiles": "O=C(CCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCOCCOCCNC(=O)COC1=CC=C2C(=C1)CCCN2C(=O)CCl", "label": -1}, "8859": {"pro_comp_id": 5702, "tar_path": "PARP2_Q9UGN5.pdb", "e3_ligase_path": "DCAF16_Q9NXF7.pdb", "e3_lig_path": "DCAF16_Q9NXF7_41_lig_smina_out.mol2", "war_path": "PARP2_Q9UGN5_22_lig_smina_out.mol2", "protac_path": "5702_protac.mol2", "smiles": "O=C(CCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCOCCOCCOCCNC(=O)COC1=CC=C2C(=C1)CCCN2C(=O)CCl", "label": -1}, "8860": {"pro_comp_id": 5703, "tar_path": "PARP2_Q9UGN5.pdb", "e3_ligase_path": "DCAF16_Q9NXF7.pdb", "e3_lig_path": "DCAF16_Q9NXF7_41_lig_smina_out.mol2", "war_path": "PARP2_Q9UGN5_22_lig_smina_out.mol2", "protac_path": "5703_protac.mol2", "smiles": "O=C(CCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCOCCOCCOCCOCCNC(=O)COC1=CC=C2C(=C1)CCCN2C(=O)CCl", "label": -1}, "8861": {"pro_comp_id": 5704, "tar_path": "PARP2_Q9UGN5.pdb", "e3_ligase_path": "DCAF16_Q9NXF7.pdb", "e3_lig_path": "DCAF16_Q9NXF7_41_lig_smina_out.mol2", "war_path": "PARP2_Q9UGN5_22_lig_smina_out.mol2", "protac_path": "5704_protac.mol2", "smiles": "O=C(COC1=CC=C2C(=C1)CCCN2C(=O)CCl)NCCOCCN1C=C(CCCCC(=O)N2CCN(C(=O)C3=CC(CC4=N[NH]C(=O)C5=CC=CC=C45)=CC=C3F)CC2)N=N1", "label": -1}, "8862": {"pro_comp_id": 5705, "tar_path": "PARP2_Q9UGN5.pdb", "e3_ligase_path": "DCAF16_Q9NXF7.pdb", "e3_lig_path": "DCAF16_Q9NXF7_41_lig_smina_out.mol2", "war_path": "PARP2_Q9UGN5_22_lig_smina_out.mol2", "protac_path": "5705_protac.mol2", "smiles": "O=C(COC1=CC=C2C(=C1)CCCN2C(=O)CCl)NCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1", "label": -1}, "8863": {"pro_comp_id": 5706, "tar_path": "PARP2_Q9UGN5.pdb", "e3_ligase_path": "DCAF16_Q9NXF7.pdb", "e3_lig_path": "DCAF16_Q9NXF7_41_lig_smina_out.mol2", "war_path": "PARP2_Q9UGN5_22_lig_smina_out.mol2", "protac_path": "5706_protac.mol2", "smiles": "O=C(COC1=CC=C2C(=C1)CCCN2C(=O)CCl)NCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1", "label": -1}, "8864": {"pro_comp_id": 5707, "tar_path": "PARP2_Q9UGN5.pdb", "e3_ligase_path": "DCAF16_Q9NXF7.pdb", "e3_lig_path": "DCAF16_Q9NXF7_41_lig_smina_out.mol2", "war_path": "PARP2_Q9UGN5_22_lig_smina_out.mol2", "protac_path": "5707_protac.mol2", "smiles": "O=C(COC1=CC=C2C(=C1)CCCN2C(=O)CCl)NCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1", "label": -1}, "8865": {"pro_comp_id": 5708, "tar_path": "PARP2_Q9UGN5.pdb", "e3_ligase_path": "DCAF16_Q9NXF7.pdb", "e3_lig_path": "DCAF16_Q9NXF7_41_lig_smina_out.mol2", "war_path": "PARP2_Q9UGN5_22_lig_smina_out.mol2", "protac_path": "5708_protac.mol2", "smiles": "O=C(COC1=CC=C2C(=C1)CCCN2C(=O)CCl)NCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1", "label": -1}, "8866": {"pro_comp_id": 5709, "tar_path": "PARP2_Q9UGN5.pdb", "e3_ligase_path": "DCAF16_Q9NXF7.pdb", "e3_lig_path": "DCAF16_Q9NXF7_41_lig_smina_out.mol2", "war_path": "PARP2_Q9UGN5_22_lig_smina_out.mol2", "protac_path": "5709_protac.mol2", "smiles": "O=C(COC1=CC=C2C(=C1)CCCN2C(=O)CCl)NCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1", "label": -1}, "8867": {"pro_comp_id": 5710, "tar_path": "PARP2_Q9UGN5.pdb", "e3_ligase_path": "DCAF16_Q9NXF7.pdb", "e3_lig_path": "DCAF16_Q9NXF7_41_lig_smina_out.mol2", "war_path": "PARP2_Q9UGN5_22_lig_smina_out.mol2", "protac_path": "5710_protac.mol2", "smiles": "O=C(COC1=CC=C2C(=C1)CCCN2C(=O)CCl)NCCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1", "label": -1}, "8868": {"pro_comp_id": 5711, "tar_path": "PARP2_Q9UGN5.pdb", "e3_ligase_path": "DCAF16_Q9NXF7.pdb", "e3_lig_path": "DCAF16_Q9NXF7_41_lig_smina_out.mol2", "war_path": "PARP2_Q9UGN5_22_lig_smina_out.mol2", "protac_path": "5711_protac.mol2", "smiles": "O=C(COC1=CC=C2C(=C1)CCCN2C(=O)CCl)NCCCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1", "label": -1}, "8869": {"pro_comp_id": 5712, "tar_path": "PARP2_Q9UGN5.pdb", "e3_ligase_path": "DCAF16_Q9NXF7.pdb", "e3_lig_path": "DCAF16_Q9NXF7_41_lig_smina_out.mol2", "war_path": "PARP2_Q9UGN5_22_lig_smina_out.mol2", "protac_path": "5712_protac.mol2", "smiles": "O=C(COC1=CC=C2C(=C1)CCCN2C(=O)CCl)NCCCCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1", "label": -1}, "8870": {"pro_comp_id": 5713, "tar_path": "PARP2_Q9UGN5.pdb", "e3_ligase_path": "DCAF16_Q9NXF7.pdb", "e3_lig_path": "DCAF16_Q9NXF7_41_lig_smina_out.mol2", "war_path": "PARP2_Q9UGN5_22_lig_smina_out.mol2", "protac_path": "5713_protac.mol2", "smiles": "O=C(COC1=CC=C2C(=C1)CCCN2C(=O)CCl)NCCCCCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1", "label": -1}, "8893": {"pro_comp_id": 5736, "tar_path": "DHFR_P00374.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "DHFR_P00374_546_lig_smina_out.mol2", "protac_path": "5736_protac.mol2", "smiles": "CN(CC1=CN=C2N=C(N)N=C(N)C2=N1)C1=CC=C(C(=O)N[C@@H](CCC(=O)NCCOCCOCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C(=O)O)C=C1", "label": -1}, "8894": {"pro_comp_id": 5737, "tar_path": "DHFR_P00374.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "DHFR_P00374_546_lig_smina_out.mol2", "protac_path": "5737_protac.mol2", "smiles": "CN(CC1=CN=C2N=C(N)N=C(N)C2=N1)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)NCCOCCOCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "8895": {"pro_comp_id": 5738, "tar_path": "DHFR_P00374.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "DHFR_P00374_546_lig_smina_out.mol2", "protac_path": "5738_protac.mol2", "smiles": "CN(CC1=CN=C2N=C(N)N=C(N)C2=N1)C1=CC=C(C(=O)N[C@@H](CCC(=O)NCCCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C(=O)O)C=C1", "label": -1}, "8896": {"pro_comp_id": 5739, "tar_path": "DHFR_P00374.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "DHFR_P00374_546_lig_smina_out.mol2", "protac_path": "5739_protac.mol2", "smiles": "CN(CC1=CN=C2N=C(N)N=C(N)C2=N1)C1=CC=C(C(=O)NC(CCC(=O)O)C(=O)NCCCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "8897": {"pro_comp_id": 5740, "tar_path": "DHFR_P00374.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "DHFR_P00374_546_lig_smina_out.mol2", "protac_path": "5740_protac.mol2", "smiles": "COC(=O)[C@H](CCC(=O)NCCCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NC(=O)C1=CC=C(N(C)CC2=CN=C3N=C(N)N=C(N)C3=N2)C=C1", "label": -1}, "8899": {"pro_comp_id": 5742, "tar_path": "GRP94_P14625.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GRP94_P14625_393_lig_smina_out.mol2", "protac_path": "5742_protac.mol2", "smiles": "CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)OCCCOC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C[C@H]4[C@]3(C)CC[C@@]21C", "label": -1}, "8900": {"pro_comp_id": 5742, "tar_path": "CDK1_P06493.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK1_P06493_393_lig_smina_out.mol2", "protac_path": "5742_protac.mol2", "smiles": "CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)OCCCOC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C[C@H]4[C@]3(C)CC[C@@]21C", "label": -1}, "8901": {"pro_comp_id": 5742, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_393_lig_smina_out.mol2", "protac_path": "5742_protac.mol2", "smiles": "CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)OCCCOC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C[C@H]4[C@]3(C)CC[C@@]21C", "label": -1}, "8902": {"pro_comp_id": 5743, "tar_path": "GRP94_P14625.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GRP94_P14625_393_lig_smina_out.mol2", "protac_path": "5743_protac.mol2", "smiles": "CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)OCCCCOC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C[C@H]4[C@]3(C)CC[C@@]21C", "label": -1}, "8903": {"pro_comp_id": 5743, "tar_path": "CDK1_P06493.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK1_P06493_393_lig_smina_out.mol2", "protac_path": "5743_protac.mol2", "smiles": "CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)OCCCCOC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C[C@H]4[C@]3(C)CC[C@@]21C", "label": -1}, "8904": {"pro_comp_id": 5743, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_393_lig_smina_out.mol2", "protac_path": "5743_protac.mol2", "smiles": "CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)OCCCCOC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C[C@H]4[C@]3(C)CC[C@@]21C", "label": -1}, "8905": {"pro_comp_id": 5744, "tar_path": "GRP94_P14625.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GRP94_P14625_393_lig_smina_out.mol2", "protac_path": "5744_protac.mol2", "smiles": "CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)OCCCCCOC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C[C@H]4[C@]3(C)CC[C@@]21C", "label": -1}, "8906": {"pro_comp_id": 5744, "tar_path": "CDK1_P06493.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK1_P06493_393_lig_smina_out.mol2", "protac_path": "5744_protac.mol2", "smiles": "CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)OCCCCCOC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C[C@H]4[C@]3(C)CC[C@@]21C", "label": -1}, "8907": {"pro_comp_id": 5744, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_393_lig_smina_out.mol2", "protac_path": "5744_protac.mol2", "smiles": "CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)OCCCCCOC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C[C@H]4[C@]3(C)CC[C@@]21C", "label": -1}, "8908": {"pro_comp_id": 5745, "tar_path": "GRP94_P14625.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "GRP94_P14625_393_lig_smina_out.mol2", "protac_path": "5745_protac.mol2", "smiles": "CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)OCCCCCCOC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C[C@H]4[C@]3(C)CC[C@@]21C", "label": -1}, "8909": {"pro_comp_id": 5745, "tar_path": "CDK1_P06493.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK1_P06493_393_lig_smina_out.mol2", "protac_path": "5745_protac.mol2", "smiles": "CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)OCCCCCCOC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C[C@H]4[C@]3(C)CC[C@@]21C", "label": -1}, "8910": {"pro_comp_id": 5745, "tar_path": "CDK4_P11802.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "CDK4_P11802_393_lig_smina_out.mol2", "protac_path": "5745_protac.mol2", "smiles": "CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)OCCCCCCOC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C[C@H]4[C@]3(C)CC[C@@]21C", "label": -1}, "8911": {"pro_comp_id": 5746, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_100_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "5746_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCNC1=CC=C(C(=O)NC3CCC(=O)NC3=O)C(F)=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "8912": {"pro_comp_id": 5747, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_100_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "5747_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC1=CC=C(C(=O)NC3CCC(=O)NC3=O)C(F)=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "8913": {"pro_comp_id": 5748, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_100_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "5748_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCCNC1=CC=C(C(=O)NC3CCC(=O)NC3=O)C(F)=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "8914": {"pro_comp_id": 5749, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_100_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "5749_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCCCCNC1=CC=C(C(=O)NC3CCC(=O)NC3=O)C(F)=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "8915": {"pro_comp_id": 5750, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_100_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "5750_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCCCCCCNC1=CC=C(C(=O)NC3CCC(=O)NC3=O)C(F)=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "8916": {"pro_comp_id": 5751, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_100_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "5751_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCOCCNC1=CC=C(C(=O)NC3CCC(=O)NC3=O)C(F)=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "8917": {"pro_comp_id": 5752, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_100_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "5752_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCOCCOCCNC1=CC=C(C(=O)NC3CCC(=O)NC3=O)C(F)=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "8918": {"pro_comp_id": 5753, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_100_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "5753_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC1CCN(C3=CC=C(C(=O)NC4CCC(=O)NC4=O)C(F)=C3)CC1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "8919": {"pro_comp_id": 5754, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_100_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "5754_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)N1CCC3(CC1)CCN(C1=CC=C(C(=O)NC4CCC(=O)NC4=O)C(F)=C1)CC3)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "8920": {"pro_comp_id": 5755, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_100_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "5755_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC1CCN(C3=CC=C(N(C)C4=CC=C(C(=O)NC5CCC(=O)NC5=O)C(F)=C4)C=C3)CC1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "8921": {"pro_comp_id": 5756, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_101_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "5756_protac.mol2", "smiles": "COC1=CC(N2CCC(CNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)CC2)=CC=C1C(=O)NC1CCC(=O)NC1=O", "label": -1}, "8922": {"pro_comp_id": 5757, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_102_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "5757_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC1CCN(C3=CC=C(C(=O)NC4CCC(=O)NC4=O)C=C3)CC1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "8923": {"pro_comp_id": 5758, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_100_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_264_lig_smina_out.mol2", "protac_path": "5758_protac.mol2", "smiles": "O=C(CCCCCCNC(=O)C1=CC=C(NC(=O)CCCCCCCNC(=O)CNC2=CC=C(C(=O)NC3CCC(=O)NC3=O)C(F)=C2)C=C1)NO", "label": -1}, "8924": {"pro_comp_id": 5759, "tar_path": "HDAC6_Q9UBN7.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_101_lig_smina_out.mol2", "war_path": "HDAC6_Q9UBN7_264_lig_smina_out.mol2", "protac_path": "5759_protac.mol2", "smiles": "COC1=CC(NCC(=O)NCCCCCCCC(=O)NC2=CC=C(C(=O)NCCCCCCC(=O)NO)C=C2)=CC=C1C(=O)NC1CCC(=O)NC1=O", "label": -1}, "8925": {"pro_comp_id": 5760, "tar_path": "REXO4_Q9GZR2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "REXO4_Q9GZR2_548_lig_smina_out.mol2", "protac_path": "5760_protac.mol2", "smiles": "CN1C2=CC=C(F)C=C2C(=O)N2CCC3=C([NH]C4=CC=C(OCCCNC(=O)CCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C34)C21", "label": -1}, "8926": {"pro_comp_id": 5761, "tar_path": "REXO4_Q9GZR2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "REXO4_Q9GZR2_548_lig_smina_out.mol2", "protac_path": "5761_protac.mol2", "smiles": "CN1C2=CC=C(F)C=C2C(=O)N2CCC3=C([NH]C4=CC=C(OCCCNC(=O)CCCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C34)C21", "label": -1}, "8927": {"pro_comp_id": 5762, "tar_path": "REXO4_Q9GZR2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "REXO4_Q9GZR2_548_lig_smina_out.mol2", "protac_path": "5762_protac.mol2", "smiles": "CN1C2=CC=C(F)C=C2C(=O)N2CCC3=C([NH]C4=CC=C(OCCCNC(=O)CCCCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C34)C21", "label": -1}, "8928": {"pro_comp_id": 5763, "tar_path": "REXO4_Q9GZR2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "REXO4_Q9GZR2_548_lig_smina_out.mol2", "protac_path": "5763_protac.mol2", "smiles": "CN1C2=CC=C(F)C=C2C(=O)N2CCC3=C([NH]C4=CC=C(OCCCNC(=O)CCCCCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C34)C21", "label": -1}, "8929": {"pro_comp_id": 5764, "tar_path": "REXO4_Q9GZR2.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "REXO4_Q9GZR2_548_lig_smina_out.mol2", "protac_path": "5764_protac.mol2", "smiles": "CN1C2=CC=C(F)C=C2C(=O)N2CCC3=C([NH]C4=CC=C(OCCCNC(=O)CCCCCCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C34)C21", "label": -1}, "8930": {"pro_comp_id": 5765, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_103_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "5765_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NC1=CC=C(OCCOCCOCCOCCNC3=CC(OS(=O)(=O)F)=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "8931": {"pro_comp_id": 5766, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "5766_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(N4CCC(CN5CCN(C(=O)C6=CC(CC7=N[NH]C(=O)C8=CC=CC=C78)=CC=C6F)CC5)CC4)C=C3C2=O)C(=O)N1", "label": -1}, "8932": {"pro_comp_id": 5767, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "5767_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(N4CCC(CCN5CCN(C(=O)C6=CC(CC7=N[NH]C(=O)C8=CC=CC=C78)=CC=C6F)CC5)CC4)C=C3C2=O)C(=O)N1", "label": -1}, "8933": {"pro_comp_id": 5768, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "5768_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(N4CCC(CN5CCC(CN6CCN(C(=O)C7=CC(CC8=N[NH]C(=O)C9=CC=CC=C89)=CC=C7F)CC6)CC5)CC4)C=C3C2=O)C(=O)N1", "label": -1}, "8934": {"pro_comp_id": 5769, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "5769_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(N4CCC(CN5CCC(CCN6CCN(C(=O)C7=CC(CC8=N[NH]C(=O)C9=CC=CC=C89)=CC=C7F)CC6)CC5)CC4)C=C3C2=O)C(=O)N1", "label": -1}, "8935": {"pro_comp_id": 5770, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "5770_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(N4CC(CN5CCC(CN6CCN(C(=O)C7=CC(CC8=N[NH]C(=O)C9=CC=CC=C89)=CC=C7F)CC6)CC5)C4)C=C3C2=O)C(=O)N1", "label": -1}, "8936": {"pro_comp_id": 5771, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "5771_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(N4CCC(CN5CCC(CN6CCN(C(=O)C7=CC(CC8=N[NH]C(=O)C9=CC=CC=C89)=CC=C7F)CC6)CC5)C4)C=C3C2=O)C(=O)N1", "label": -1}, "8937": {"pro_comp_id": 5772, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "5772_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(N4CC(CN5CCC(CCN6CCN(C(=O)C7=CC(CC8=N[NH]C(=O)C9=CC=CC=C89)=CC=C7F)CC6)CC5)C4)C=C3C2=O)C(=O)N1", "label": -1}, "8938": {"pro_comp_id": 5773, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "5773_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(N4CCC(CN5CCC(CCN6CCN(C(=O)C7=CC(CC8=N[NH]C(=O)C9=CC=CC=C89)=CC=C7F)CC6)CC5)C4)C=C3C2=O)C(=O)N1", "label": -1}, "8939": {"pro_comp_id": 5774, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PARP1_P09874_22_lig_smina_out.mol2", "protac_path": "5774_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=C(N4CCC(CCN5CCC(CCN6CCN(C(=O)C7=CC(CC8=N[NH]C(=O)C9=CC=CC=C89)=CC=C7F)CC6)CC5)CC4)C=C3C2=O)C(=O)N1", "label": -1}, "8940": {"pro_comp_id": 5775, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PARP1_P09874_21_lig_smina_out.mol2", "protac_path": "5775_protac.mol2", "smiles": "NC(=O)C1=CC=CC2=CN(C3=CC=C([C@@H]4CCCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)C4)C=C3)N=C12", "label": -1}, "8941": {"pro_comp_id": 5776, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PARP1_P09874_21_lig_smina_out.mol2", "protac_path": "5776_protac.mol2", "smiles": "NC(=O)C1=CC=CC2=CN(C3=CC=C([C@@H]4CCCN(CC5CN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)C5)C4)C=C3)N=C12", "label": -1}, "8942": {"pro_comp_id": 5777, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PARP1_P09874_21_lig_smina_out.mol2", "protac_path": "5777_protac.mol2", "smiles": "NC(=O)C1=CC=CC2=CN(C3=CC=C([C@@H]4CCCN(CC5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)C5)C4)C=C3)N=C12", "label": -1}, "8943": {"pro_comp_id": 5778, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PARP1_P09874_21_lig_smina_out.mol2", "protac_path": "5778_protac.mol2", "smiles": "NC(=O)C1=CC=CC2=CN(C3=CC=C([C@@H]4CCCN(CC5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)C4)C=C3)N=C12", "label": -1}, "8944": {"pro_comp_id": 5779, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PARP1_P09874_21_lig_smina_out.mol2", "protac_path": "5779_protac.mol2", "smiles": "NC(=O)C1=CC=CC2=CN(C3=CC=C([C@@H]4CCCN(CCC5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)C4)C=C3)N=C12", "label": -1}, "8945": {"pro_comp_id": 5780, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PARP1_P09874_21_lig_smina_out.mol2", "protac_path": "5780_protac.mol2", "smiles": "NC(=O)C1=CC=CC2=CN(C3=CC=C([C@@H]4CCCN(CC5CCN(CC6CN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)C6)CC5)C4)C=C3)N=C12", "label": -1}, "8946": {"pro_comp_id": 5781, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PARP1_P09874_21_lig_smina_out.mol2", "protac_path": "5781_protac.mol2", "smiles": "NC(=O)C1=CC=CC2=CN(C3=CC=C([C@@H]4CCCN(CC5CCN(CC6CCN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)C6)CC5)C4)C=C3)N=C12", "label": -1}, "8947": {"pro_comp_id": 5782, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PARP1_P09874_21_lig_smina_out.mol2", "protac_path": "5782_protac.mol2", "smiles": "NC(=O)C1=CC=CC2=CN(C3=CC=C([C@@H]4CCCN(CC5CCN(CC6CCN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)CC6)CC5)C4)C=C3)N=C12", "label": -1}, "8948": {"pro_comp_id": 5783, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PARP1_P09874_21_lig_smina_out.mol2", "protac_path": "5783_protac.mol2", "smiles": "NC(=O)C1=CC=CC2=CN(C3=CC=C([C@@H]4CCCN(CCC5CCN(CC6CN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)C6)CC5)C4)C=C3)N=C12", "label": -1}, "8949": {"pro_comp_id": 5784, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PARP1_P09874_21_lig_smina_out.mol2", "protac_path": "5784_protac.mol2", "smiles": "NC(=O)C1=CC=CC2=CN(C3=CC=C([C@@H]4CCCN(CCC5CCN(CC6CCN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)CC6)CC5)C4)C=C3)N=C12", "label": -1}, "8950": {"pro_comp_id": 5785, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PARP1_P09874_21_lig_smina_out.mol2", "protac_path": "5785_protac.mol2", "smiles": "NC(=O)C1=CC=CC2=CN(C3=CC=C([C@@H]4CCCN(CCC5CCN(CCC6CCN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)CC6)CC5)C4)C=C3)N=C12", "label": -1}, "8951": {"pro_comp_id": 5786, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PARP1_P09874_21_lig_smina_out.mol2", "protac_path": "5786_protac.mol2", "smiles": "NC(=O)C1=CC=CC2=CN(C3=CC=C([C@@H]4CCCN(CCC5CCN(CCC6CCN(C7=CC8=C(C=C7F)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)C4)C=C3)N=C12", "label": -1}, "8952": {"pro_comp_id": 5787, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PARP1_P09874_21_lig_smina_out.mol2", "protac_path": "5787_protac.mol2", "smiles": "NC(=O)C1=CC=CC2=CN(C3=CC=C([C@@H]4CCCN(CCC5CCN(CCC6CCN(C7=CC=CC8=C7C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)C4)C=C3)N=C12", "label": -1}, "8953": {"pro_comp_id": 5788, "tar_path": "PARP1_P09874.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PARP1_P09874_21_lig_smina_out.mol2", "protac_path": "5788_protac.mol2", "smiles": "NC(=O)C1=CC=CC2=CN(C3=CC=C([C@@H]4CCCN(CC5CCN(CC6CCN(CC7CN(C8=CC=C9C(=O)N(C%10CCC(=O)NC%10=O)C(=O)C9=C8)C7)CC6)CC5)C4)C=C3)N=C12", "label": -1}, "8954": {"pro_comp_id": 5789, "tar_path": "PTPN2_P17706.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PTPN2_P17706_549_lig_smina_out.mol2", "protac_path": "5789_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CN3C=C(C4=CC=C5C=C(O)C(N6CC(=O)NS6(=O)=O)=C(F)C5=C4)C=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8955": {"pro_comp_id": 5790, "tar_path": "PTPN2_P17706.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PTPN2_P17706_549_lig_smina_out.mol2", "protac_path": "5790_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CNC(=O)CN3C=C(C4=CC=C5C=C(O)C(N6CC(=O)NS6(=O)=O)=C(F)C5=C4)C=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8956": {"pro_comp_id": 5791, "tar_path": "PTPN2_P17706.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PTPN2_P17706_549_lig_smina_out.mol2", "protac_path": "5791_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCNC(=O)CN3C=C(C4=CC=C5C=C(O)C(N6CC(=O)NS6(=O)=O)=C(F)C5=C4)C=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8957": {"pro_comp_id": 5792, "tar_path": "PTPN2_P17706.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PTPN2_P17706_549_lig_smina_out.mol2", "protac_path": "5792_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCNC(=O)CN3C=C(C4=CC=C5C=C(O)C(N6CC(=O)NS6(=O)=O)=C(F)C5=C4)C=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8958": {"pro_comp_id": 5793, "tar_path": "PTPN2_P17706.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PTPN2_P17706_549_lig_smina_out.mol2", "protac_path": "5793_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCNC(=O)CN3C=C(C4=CC=C5C=C(O)C(N6CC(=O)NS6(=O)=O)=C(F)C5=C4)C=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8959": {"pro_comp_id": 5794, "tar_path": "PTPN2_P17706.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PTPN2_P17706_549_lig_smina_out.mol2", "protac_path": "5794_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCNC(=O)CN3C=C(C4=CC=C5C=C(O)C(N6CC(=O)NS6(=O)=O)=C(F)C5=C4)C=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8960": {"pro_comp_id": 5794, "tar_path": "PTP1B_P18031.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PTP1B_P18031_549_lig_smina_out.mol2", "protac_path": "5794_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCNC(=O)CN3C=C(C4=CC=C5C=C(O)C(N6CC(=O)NS6(=O)=O)=C(F)C5=C4)C=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8961": {"pro_comp_id": 5795, "tar_path": "PTPN2_P17706.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PTPN2_P17706_549_lig_smina_out.mol2", "protac_path": "5795_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCNC(=O)CN3C=C(C4=CC=C5C=C(O)C(N6CC(=O)NS6(=O)=O)=C(F)C5=C4)C=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8962": {"pro_comp_id": 5795, "tar_path": "PTP1B_P18031.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PTP1B_P18031_549_lig_smina_out.mol2", "protac_path": "5795_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCNC(=O)CN3C=C(C4=CC=C5C=C(O)C(N6CC(=O)NS6(=O)=O)=C(F)C5=C4)C=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8963": {"pro_comp_id": 5796, "tar_path": "PTPN2_P17706.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PTPN2_P17706_549_lig_smina_out.mol2", "protac_path": "5796_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCNC(=O)CN3C=C(C4=CC=C5C=C(O)C(N6CC(=O)NS6(=O)=O)=C(F)C5=C4)C=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8964": {"pro_comp_id": 5796, "tar_path": "PTP1B_P18031.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PTP1B_P18031_549_lig_smina_out.mol2", "protac_path": "5796_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCNC(=O)CN3C=C(C4=CC=C5C=C(O)C(N6CC(=O)NS6(=O)=O)=C(F)C5=C4)C=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8965": {"pro_comp_id": 5797, "tar_path": "PTPN2_P17706.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PTPN2_P17706_549_lig_smina_out.mol2", "protac_path": "5797_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCNC(=O)CN3C=C(C4=CC=C5C=C(O)C(N6CC(=O)NS6(=O)=O)=C(F)C5=C4)C=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8966": {"pro_comp_id": 5798, "tar_path": "PTPN2_P17706.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PTPN2_P17706_549_lig_smina_out.mol2", "protac_path": "5798_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNC(=O)CN3C=C(C4=CC=C5C=C(O)C(N6CC(=O)NS6(=O)=O)=C(F)C5=C4)C=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8967": {"pro_comp_id": 5798, "tar_path": "PTP1B_P18031.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PTP1B_P18031_549_lig_smina_out.mol2", "protac_path": "5798_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNC(=O)CN3C=C(C4=CC=C5C=C(O)C(N6CC(=O)NS6(=O)=O)=C(F)C5=C4)C=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8968": {"pro_comp_id": 5799, "tar_path": "PTPN2_P17706.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PTPN2_P17706_549_lig_smina_out.mol2", "protac_path": "5799_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3=CN(CCCNC(=O)CN4C=C(C5=CC=C6C=C(O)C(N7CC(=O)NS7(=O)=O)=C(F)C6=C5)C=N4)N=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8969": {"pro_comp_id": 5800, "tar_path": "PTPN2_P17706.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PTPN2_P17706_549_lig_smina_out.mol2", "protac_path": "5800_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CNC3CCN(C(=O)CN4C=C(C5=CC=C6C=C(O)C(N7CC(=O)NS7(=O)=O)=C(F)C6=C5)C=N4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8970": {"pro_comp_id": 5801, "tar_path": "PTPN2_P17706.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PTPN2_P17706_549_lig_smina_out.mol2", "protac_path": "5801_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCNC3CCN(C(=O)CN4C=C(C5=CC=C6C=C(O)C(N7CC(=O)NS7(=O)=O)=C(F)C6=C5)C=N4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8971": {"pro_comp_id": 5802, "tar_path": "PTPN2_P17706.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PTPN2_P17706_549_lig_smina_out.mol2", "protac_path": "5802_protac.mol2", "smiles": "O=C(CN1C=C(C2=CC=C3C=C(O)C(N4CC(=O)NS4(=O)=O)=C(F)C3=C2)C=N1)NCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8972": {"pro_comp_id": 5803, "tar_path": "PTPN2_P17706.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PTPN2_P17706_549_lig_smina_out.mol2", "protac_path": "5803_protac.mol2", "smiles": "O=C(CN1C=C(C2=CC=C3C=C(O)C(N4CC(=O)NS4(=O)=O)=C(F)C3=C2)C=N1)NCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8973": {"pro_comp_id": 5804, "tar_path": "PTPN2_P17706.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PTPN2_P17706_549_lig_smina_out.mol2", "protac_path": "5804_protac.mol2", "smiles": "O=C(CN1C=C(C2=CC=C3C=C(O)C(N4CC(=O)NS4(=O)=O)=C(F)C3=C2)C=N1)NCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "8974": {"pro_comp_id": 5805, "tar_path": "MITF_O75030.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MITF_O75030_550_lig_smina_out.mol2", "protac_path": "5805_protac.mol2", "smiles": "O=C1CCC(N2CC3=C(NC(=O)CCNC(=O)C4=CC(O)=C5C(=O)C6=C(O)C=CC=C6C(=O)C5=C4)C=CC=C3C2=O)C(=O)N1", "label": -1}, "8975": {"pro_comp_id": 5806, "tar_path": "MITF_O75030.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MITF_O75030_550_lig_smina_out.mol2", "protac_path": "5806_protac.mol2", "smiles": "O=C1CCC(N2CC3=C(NC(=O)CCCNC(=O)C4=CC(O)=C5C(=O)C6=C(O)C=CC=C6C(=O)C5=C4)C=CC=C3C2=O)C(=O)N1", "label": -1}, "8976": {"pro_comp_id": 5807, "tar_path": "MITF_O75030.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MITF_O75030_550_lig_smina_out.mol2", "protac_path": "5807_protac.mol2", "smiles": "O=C1CCC(N2CC3=C(NC(=O)CCCCNC(=O)C4=CC(O)=C5C(=O)C6=C(O)C=CC=C6C(=O)C5=C4)C=CC=C3C2=O)C(=O)N1", "label": -1}, "8977": {"pro_comp_id": 5808, "tar_path": "MITF_O75030.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MITF_O75030_550_lig_smina_out.mol2", "protac_path": "5808_protac.mol2", "smiles": "O=C1CCC(N2CC3=C(NC(=O)CCCCCNC(=O)C4=CC(O)=C5C(=O)C6=C(O)C=CC=C6C(=O)C5=C4)C=CC=C3C2=O)C(=O)N1", "label": -1}, "8978": {"pro_comp_id": 5809, "tar_path": "MITF_O75030.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MITF_O75030_550_lig_smina_out.mol2", "protac_path": "5809_protac.mol2", "smiles": "O=C1CCC(N2CC3=C(NC(=O)CCCCCCNC(=O)C4=CC(O)=C5C(=O)C6=C(O)C=CC=C6C(=O)C5=C4)C=CC=C3C2=O)C(=O)N1", "label": -1}, "8979": {"pro_comp_id": 5810, "tar_path": "MITF_O75030.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "MITF_O75030_550_lig_smina_out.mol2", "protac_path": "5810_protac.mol2", "smiles": "O=C1CCC(N2CC3=C(NC(=O)CCCCCCCNC(=O)C4=CC(O)=C5C(=O)C6=C(O)C=CC=C6C(=O)C5=C4)C=CC=C3C2=O)C(=O)N1", "label": -1}, "8980": {"pro_comp_id": 5811, "tar_path": "MITF_O75030.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MITF_O75030_550_lig_smina_out.mol2", "protac_path": "5811_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCNC(=O)C4=CC(O)=C5C(=O)C6=C(O)C=CC=C6C(=O)C5=C4)=C3C2=O)C(=O)N1", "label": -1}, "8981": {"pro_comp_id": 5812, "tar_path": "ERK1_P27361.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ERK1_P27361_551_lig_smina_out.mol2", "protac_path": "5812_protac.mol2", "smiles": "O=C(CCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCNC1=CC(C2=C[NH]C(C(=O)N[C@H](CO)C3=CC=CC(Cl)=C3)=C2)=C(Cl)C=N1", "label": -1}, "8982": {"pro_comp_id": 5812, "tar_path": "ERK2_P28482.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ERK2_P28482_551_lig_smina_out.mol2", "protac_path": "5812_protac.mol2", "smiles": "O=C(CCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCNC1=CC(C2=C[NH]C(C(=O)N[C@H](CO)C3=CC=CC(Cl)=C3)=C2)=C(Cl)C=N1", "label": -1}, "8983": {"pro_comp_id": 5813, "tar_path": "ERK1_P27361.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ERK1_P27361_551_lig_smina_out.mol2", "protac_path": "5813_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCC(=O)NCCCNC3=CC(C4=C[NH]C(C(=O)N[C@H](CO)C5=CC=CC(Cl)=C5)=C4)=C(Cl)C=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8984": {"pro_comp_id": 5813, "tar_path": "ERK2_P28482.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ERK2_P28482_551_lig_smina_out.mol2", "protac_path": "5813_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCC(=O)NCCCNC3=CC(C4=C[NH]C(C(=O)N[C@H](CO)C5=CC=CC(Cl)=C5)=C4)=C(Cl)C=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8985": {"pro_comp_id": 5814, "tar_path": "ERK1_P27361.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ERK1_P27361_552_lig_smina_out.mol2", "protac_path": "5814_protac.mol2", "smiles": "O=C(CCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCC#CC1=CC(NC2=NC=CC(C3=CC(=O)N([C@H](CO)C4=CC=C(Cl)C(F)=C4)C=C3)=N2)=CC=N1", "label": -1}, "8986": {"pro_comp_id": 5814, "tar_path": "ERK2_P28482.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ERK2_P28482_552_lig_smina_out.mol2", "protac_path": "5814_protac.mol2", "smiles": "O=C(CCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCC#CC1=CC(NC2=NC=CC(C3=CC(=O)N([C@H](CO)C4=CC=C(Cl)C(F)=C4)C=C3)=N2)=CC=N1", "label": -1}, "8987": {"pro_comp_id": 5815, "tar_path": "ERK1_P27361.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ERK1_P27361_552_lig_smina_out.mol2", "protac_path": "5815_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCC(=O)NCCC#CC3=CC(NC4=NC=CC(C5=CC(=O)N([C@H](CO)C6=CC=C(Cl)C(F)=C6)C=C5)=N4)=CC=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8988": {"pro_comp_id": 5815, "tar_path": "ERK2_P28482.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ERK2_P28482_552_lig_smina_out.mol2", "protac_path": "5815_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCC(=O)NCCC#CC3=CC(NC4=NC=CC(C5=CC(=O)N([C@H](CO)C6=CC=C(Cl)C(F)=C6)C=C5)=N4)=CC=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "8989": {"pro_comp_id": 5816, "tar_path": "ERK1_P27361.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ERK1_P27361_553_lig_smina_out.mol2", "protac_path": "5816_protac.mol2", "smiles": "CC1=CC=CC(CN2C(=O)C3=CC(C4=NC(NC5=CC=NC(C#CCCNC(=O)CCCNC6=CC=CC7=C6C(=O)N([C@H]6CCC(=O)NC6=O)C7=O)=C5)=NC=C4C)=CN3C[C@H]2C)=N1", "label": -1}, "8990": {"pro_comp_id": 5816, "tar_path": "ERK2_P28482.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ERK2_P28482_553_lig_smina_out.mol2", "protac_path": "5816_protac.mol2", "smiles": "CC1=CC=CC(CN2C(=O)C3=CC(C4=NC(NC5=CC=NC(C#CCCNC(=O)CCCNC6=CC=CC7=C6C(=O)N([C@H]6CCC(=O)NC6=O)C7=O)=C5)=NC=C4C)=CN3C[C@H]2C)=N1", "label": -1}, "8991": {"pro_comp_id": 5817, "tar_path": "ERK1_P27361.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ERK1_P27361_553_lig_smina_out.mol2", "protac_path": "5817_protac.mol2", "smiles": "CC1=CC=CC(CN2C(=O)C3=CC(C4=NC(NC5=CC=NC(C#CCCNC(=O)CCCCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)=C5)=NC=C4C)=CN3C[C@H]2C)=N1", "label": -1}, "8992": {"pro_comp_id": 5817, "tar_path": "ERK2_P28482.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ERK2_P28482_553_lig_smina_out.mol2", "protac_path": "5817_protac.mol2", "smiles": "CC1=CC=CC(CN2C(=O)C3=CC(C4=NC(NC5=CC=NC(C#CCCNC(=O)CCCCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)=C5)=NC=C4C)=CN3C[C@H]2C)=N1", "label": -1}, "8993": {"pro_comp_id": 5818, "tar_path": "ERK1_P27361.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ERK1_P27361_553_lig_smina_out.mol2", "protac_path": "5818_protac.mol2", "smiles": "CC1=CC=CC(CN2C(=O)C3=CC(C4=NC(NC5=CC=NC(C#CCCNC(=O)CCCCCCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)=C5)=NC=C4C)=CN3C[C@H]2C)=N1", "label": -1}, "8994": {"pro_comp_id": 5818, "tar_path": "ERK2_P28482.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ERK2_P28482_553_lig_smina_out.mol2", "protac_path": "5818_protac.mol2", "smiles": "CC1=CC=CC(CN2C(=O)C3=CC(C4=NC(NC5=CC=NC(C#CCCNC(=O)CCCCCCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)=C5)=NC=C4C)=CN3C[C@H]2C)=N1", "label": -1}, "8995": {"pro_comp_id": 5819, "tar_path": "ERK1_P27361.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ERK1_P27361_553_lig_smina_out.mol2", "protac_path": "5819_protac.mol2", "smiles": "CC1=CC=CC(CN2C(=O)C3=CC(C4=NC(NC5=CC=NC(C#CCCNC(=O)CCCCCCCCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)=C5)=NC=C4C)=CN3C[C@H]2C)=N1", "label": -1}, "8996": {"pro_comp_id": 5819, "tar_path": "ERK2_P28482.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ERK2_P28482_553_lig_smina_out.mol2", "protac_path": "5819_protac.mol2", "smiles": "CC1=CC=CC(CN2C(=O)C3=CC(C4=NC(NC5=CC=NC(C#CCCNC(=O)CCCCCCCCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)=C5)=NC=C4C)=CN3C[C@H]2C)=N1", "label": -1}, "8997": {"pro_comp_id": 5820, "tar_path": "ERK1_P27361.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ERK1_P27361_553_lig_smina_out.mol2", "protac_path": "5820_protac.mol2", "smiles": "CC1=CC=CC(CN2C(=O)C3=CC(C4=NC(NC5=CC=NC(C#CCCNC(=O)CCCCCCCCCCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)=C5)=NC=C4C)=CN3C[C@H]2C)=N1", "label": -1}, "8998": {"pro_comp_id": 5820, "tar_path": "ERK2_P28482.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ERK2_P28482_553_lig_smina_out.mol2", "protac_path": "5820_protac.mol2", "smiles": "CC1=CC=CC(CN2C(=O)C3=CC(C4=NC(NC5=CC=NC(C#CCCNC(=O)CCCCCCCCCCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)=C5)=NC=C4C)=CN3C[C@H]2C)=N1", "label": -1}, "8999": {"pro_comp_id": 5821, "tar_path": "ERK1_P27361.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ERK1_P27361_553_lig_smina_out.mol2", "protac_path": "5821_protac.mol2", "smiles": "CC1=CC=CC(CN2C(=O)C3=CC(C4=NC(NC5=CC=NC(C#CCCNC(=O)COCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)=C5)=NC=C4C)=CN3C[C@H]2C)=N1", "label": -1}, "9000": {"pro_comp_id": 5821, "tar_path": "ERK2_P28482.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ERK2_P28482_553_lig_smina_out.mol2", "protac_path": "5821_protac.mol2", "smiles": "CC1=CC=CC(CN2C(=O)C3=CC(C4=NC(NC5=CC=NC(C#CCCNC(=O)COCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)=C5)=NC=C4C)=CN3C[C@H]2C)=N1", "label": -1}, "9001": {"pro_comp_id": 5822, "tar_path": "ERK1_P27361.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ERK1_P27361_553_lig_smina_out.mol2", "protac_path": "5822_protac.mol2", "smiles": "CC1=CC=CC(CN2C(=O)C3=CC(C4=NC(NC5=CC=NC(C#CCCNC(=O)COCCOCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)=C5)=NC=C4C)=CN3C[C@H]2C)=N1", "label": -1}, "9002": {"pro_comp_id": 5822, "tar_path": "ERK2_P28482.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ERK2_P28482_553_lig_smina_out.mol2", "protac_path": "5822_protac.mol2", "smiles": "CC1=CC=CC(CN2C(=O)C3=CC(C4=NC(NC5=CC=NC(C#CCCNC(=O)COCCOCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)=C5)=NC=C4C)=CN3C[C@H]2C)=N1", "label": -1}, "9003": {"pro_comp_id": 5823, "tar_path": "ERK1_P27361.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ERK1_P27361_553_lig_smina_out.mol2", "protac_path": "5823_protac.mol2", "smiles": "CC1=CC=CC(CN2C(=O)C3=CC(C4=NC(NC5=CC=NC(C#CCCNC(=O)COCCOCCOCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)=C5)=NC=C4C)=CN3C[C@H]2C)=N1", "label": -1}, "9004": {"pro_comp_id": 5823, "tar_path": "ERK2_P28482.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ERK2_P28482_553_lig_smina_out.mol2", "protac_path": "5823_protac.mol2", "smiles": "CC1=CC=CC(CN2C(=O)C3=CC(C4=NC(NC5=CC=NC(C#CCCNC(=O)COCCOCCOCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)=C5)=NC=C4C)=CN3C[C@H]2C)=N1", "label": -1}, "9005": {"pro_comp_id": 5824, "tar_path": "ERK1_P27361.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ERK1_P27361_553_lig_smina_out.mol2", "protac_path": "5824_protac.mol2", "smiles": "CC1=CC=CC(CN2C(=O)C3=CC(C4=NC(NC5=CC=NC(NCCCNC(=O)CCCCCCCCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)=C5)=NC=C4C)=CN3C[C@H]2C)=N1", "label": -1}, "9006": {"pro_comp_id": 5824, "tar_path": "ERK2_P28482.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ERK2_P28482_553_lig_smina_out.mol2", "protac_path": "5824_protac.mol2", "smiles": "CC1=CC=CC(CN2C(=O)C3=CC(C4=NC(NC5=CC=NC(NCCCNC(=O)CCCCCCCCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)=C5)=NC=C4C)=CN3C[C@H]2C)=N1", "label": -1}, "9007": {"pro_comp_id": 5825, "tar_path": "ERK1_P27361.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ERK1_P27361_553_lig_smina_out.mol2", "protac_path": "5825_protac.mol2", "smiles": "CC1=CC=CC(CN2C(=O)C3=CC(C4=NC(NC5=CC=CC(C#CCCNC(=O)CCCCCCCCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)=C5)=NC=C4C)=CN3C[C@H]2C)=N1", "label": -1}, "9008": {"pro_comp_id": 5825, "tar_path": "ERK2_P28482.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ERK2_P28482_553_lig_smina_out.mol2", "protac_path": "5825_protac.mol2", "smiles": "CC1=CC=CC(CN2C(=O)C3=CC(C4=NC(NC5=CC=CC(C#CCCNC(=O)CCCCCCCCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)=C5)=NC=C4C)=CN3C[C@H]2C)=N1", "label": -1}, "9009": {"pro_comp_id": 5826, "tar_path": "ERK1_P27361.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ERK1_P27361_553_lig_smina_out.mol2", "protac_path": "5826_protac.mol2", "smiles": "CC1=CC=CC(CN2C(=O)C3=CC(C4=NC(NC5=NN(CCCCNC(=O)CCCCCCCCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C=C5)=NC=C4C)=CN3C[C@H]2C)=N1", "label": -1}, "9010": {"pro_comp_id": 5826, "tar_path": "ERK2_P28482.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ERK2_P28482_553_lig_smina_out.mol2", "protac_path": "5826_protac.mol2", "smiles": "CC1=CC=CC(CN2C(=O)C3=CC(C4=NC(NC5=NN(CCCCNC(=O)CCCCCCCCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C=C5)=NC=C4C)=CN3C[C@H]2C)=N1", "label": -1}, "9011": {"pro_comp_id": 5827, "tar_path": "ERK1_P27361.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ERK1_P27361_553_lig_smina_out.mol2", "protac_path": "5827_protac.mol2", "smiles": "CC1=CC=CC(CN2C(=O)C3=CC(C4=NC(NC5=CC=NC(CCNC(=O)CCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)=C5)=NC=C4C)=CN3C[C@H]2C)=N1", "label": -1}, "9012": {"pro_comp_id": 5827, "tar_path": "ERK2_P28482.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ERK2_P28482_553_lig_smina_out.mol2", "protac_path": "5827_protac.mol2", "smiles": "CC1=CC=CC(CN2C(=O)C3=CC(C4=NC(NC5=CC=NC(CCNC(=O)CCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)=C5)=NC=C4C)=CN3C[C@H]2C)=N1", "label": -1}, "9013": {"pro_comp_id": 5828, "tar_path": "ERK1_P27361.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ERK1_P27361_553_lig_smina_out.mol2", "protac_path": "5828_protac.mol2", "smiles": "CC1=CC=CC(CN2C(=O)C3=CC(C4=NC(NC5=CC=NC(CCNC(=O)CCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)=C5)=NC=C4C)=CN3C[C@H]2C)=N1", "label": -1}, "9014": {"pro_comp_id": 5828, "tar_path": "ERK2_P28482.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ERK2_P28482_553_lig_smina_out.mol2", "protac_path": "5828_protac.mol2", "smiles": "CC1=CC=CC(CN2C(=O)C3=CC(C4=NC(NC5=CC=NC(CCNC(=O)CCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)=C5)=NC=C4C)=CN3C[C@H]2C)=N1", "label": -1}, "9015": {"pro_comp_id": 5829, "tar_path": "ERK1_P27361.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ERK1_P27361_553_lig_smina_out.mol2", "protac_path": "5829_protac.mol2", "smiles": "CC1=CC=CC(CN2C(=O)C3=CC(C4=NC(NC5=CC=NC(CCNC(=O)CCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)=C5)=NC=C4C)=CN3C[C@H]2C)=N1", "label": -1}, "9016": {"pro_comp_id": 5829, "tar_path": "ERK2_P28482.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ERK2_P28482_553_lig_smina_out.mol2", "protac_path": "5829_protac.mol2", "smiles": "CC1=CC=CC(CN2C(=O)C3=CC(C4=NC(NC5=CC=NC(CCNC(=O)CCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)=C5)=NC=C4C)=CN3C[C@H]2C)=N1", "label": -1}, "9017": {"pro_comp_id": 5830, "tar_path": "ERK1_P27361.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ERK1_P27361_553_lig_smina_out.mol2", "protac_path": "5830_protac.mol2", "smiles": "CC1=CC=CC(CN2C(=O)C3=CC(C4=NC(NC5=CC=NC(CCNC(=O)CCCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)=C5)=NC=C4C)=CN3C[C@H]2C)=N1", "label": -1}, "9018": {"pro_comp_id": 5830, "tar_path": "ERK2_P28482.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ERK2_P28482_553_lig_smina_out.mol2", "protac_path": "5830_protac.mol2", "smiles": "CC1=CC=CC(CN2C(=O)C3=CC(C4=NC(NC5=CC=NC(CCNC(=O)CCCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)=C5)=NC=C4C)=CN3C[C@H]2C)=N1", "label": -1}, "9019": {"pro_comp_id": 5831, "tar_path": "ERK1_P27361.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ERK1_P27361_553_lig_smina_out.mol2", "protac_path": "5831_protac.mol2", "smiles": "CC1=CC=CC(CN2C(=O)C3=CC(C4=NC(NC5=CC=NC(CCNC(=O)CCCCCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)=C5)=NC=C4C)=CN3C[C@H]2C)=N1", "label": -1}, "9020": {"pro_comp_id": 5831, "tar_path": "ERK2_P28482.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ERK2_P28482_553_lig_smina_out.mol2", "protac_path": "5831_protac.mol2", "smiles": "CC1=CC=CC(CN2C(=O)C3=CC(C4=NC(NC5=CC=NC(CCNC(=O)CCCCCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)=C5)=NC=C4C)=CN3C[C@H]2C)=N1", "label": -1}, "9021": {"pro_comp_id": 5832, "tar_path": "ERK1_P27361.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ERK1_P27361_553_lig_smina_out.mol2", "protac_path": "5832_protac.mol2", "smiles": "CC1=CC=CC(CN2C(=O)C3=CC(C4=NC(NC5=CC=NC(CCNC(=O)CCCCCCCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)=C5)=NC=C4C)=CN3C[C@H]2C)=N1", "label": -1}, "9022": {"pro_comp_id": 5832, "tar_path": "ERK2_P28482.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ERK2_P28482_553_lig_smina_out.mol2", "protac_path": "5832_protac.mol2", "smiles": "CC1=CC=CC(CN2C(=O)C3=CC(C4=NC(NC5=CC=NC(CCNC(=O)CCCCCCCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)=C5)=NC=C4C)=CN3C[C@H]2C)=N1", "label": -1}, "9023": {"pro_comp_id": 5833, "tar_path": "ERK1_P27361.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ERK1_P27361_553_lig_smina_out.mol2", "protac_path": "5833_protac.mol2", "smiles": "CC1=CC=CC(CN2C(=O)C3=CC(C4=NC(NC5=CC=NC(NCCCNC(=O)CCCCCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)=C5)=NC=C4C)=CN3C[C@H]2C)=N1", "label": -1}, "9024": {"pro_comp_id": 5833, "tar_path": "ERK2_P28482.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ERK2_P28482_553_lig_smina_out.mol2", "protac_path": "5833_protac.mol2", "smiles": "CC1=CC=CC(CN2C(=O)C3=CC(C4=NC(NC5=CC=NC(NCCCNC(=O)CCCCCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)=C5)=NC=C4C)=CN3C[C@H]2C)=N1", "label": -1}, "9025": {"pro_comp_id": 5834, "tar_path": "ERK1_P27361.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ERK1_P27361_553_lig_smina_out.mol2", "protac_path": "5834_protac.mol2", "smiles": "CC1=CC=CC(CN2C(=O)C3=CC(C4=NC(NC5=CC=NC(C#CCCN(C)CCCCCCCCCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)=C5)=NC=C4C)=CN3C[C@H]2C)=N1", "label": -1}, "9026": {"pro_comp_id": 5834, "tar_path": "ERK2_P28482.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ERK2_P28482_553_lig_smina_out.mol2", "protac_path": "5834_protac.mol2", "smiles": "CC1=CC=CC(CN2C(=O)C3=CC(C4=NC(NC5=CC=NC(C#CCCN(C)CCCCCCCCCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)=C5)=NC=C4C)=CN3C[C@H]2C)=N1", "label": -1}, "9027": {"pro_comp_id": 5835, "tar_path": "ERK1_P27361.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ERK1_P27361_553_lig_smina_out.mol2", "protac_path": "5835_protac.mol2", "smiles": "CC1=CC=CC(CN2C(=O)C3=CC(C4=NC(NC5=CC=NC(C#CCCN6CCN(CCCCCCCCNC7=CC=CC8=C7C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)=C5)=NC=C4C)=CN3C[C@@H]2C)=N1", "label": -1}, "9028": {"pro_comp_id": 5835, "tar_path": "ERK2_P28482.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "ERK2_P28482_553_lig_smina_out.mol2", "protac_path": "5835_protac.mol2", "smiles": "CC1=CC=CC(CN2C(=O)C3=CC(C4=NC(NC5=CC=NC(C#CCCN6CCN(CCCCCCCCNC7=CC=CC8=C7C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)=C5)=NC=C4C)=CN3C[C@@H]2C)=N1", "label": -1}, "9029": {"pro_comp_id": 5836, "tar_path": "ERK1_P27361.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ERK1_P27361_553_lig_smina_out.mol2", "protac_path": "5836_protac.mol2", "smiles": "CC1=CC=CC(CN2C(=O)C3=CC(C4=NC(NC5=CC=NC(C#CCCN(C)CCCCCCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)=C5)=NC=C4C)=CN3C[C@@H]2C)=N1", "label": -1}, "9030": {"pro_comp_id": 5836, "tar_path": "ERK2_P28482.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ERK2_P28482_553_lig_smina_out.mol2", "protac_path": "5836_protac.mol2", "smiles": "CC1=CC=CC(CN2C(=O)C3=CC(C4=NC(NC5=CC=NC(C#CCCN(C)CCCCCCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)=C5)=NC=C4C)=CN3C[C@@H]2C)=N1", "label": -1}, "9031": {"pro_comp_id": 5837, "tar_path": "ERK1_P27361.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ERK1_P27361_553_lig_smina_out.mol2", "protac_path": "5837_protac.mol2", "smiles": "CC1=CC=CC(CN2C(=O)C3=CC(C4=NC(NC5=CC=NC(C#CCCN6CCN(CCCCCCCCCC(=O)N[C@H](C(=O)N7C[C@H](O)C[C@H]7C(=O)N[C@@H](C)C7=CC=C(C8=C(C)N=CS8)C=C7)C(C)(C)C)CC6)=C5)=NC=C4C)=CN3C[C@H]2C)=N1", "label": -1}, "9032": {"pro_comp_id": 5837, "tar_path": "ERK2_P28482.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "ERK2_P28482_553_lig_smina_out.mol2", "protac_path": "5837_protac.mol2", "smiles": "CC1=CC=CC(CN2C(=O)C3=CC(C4=NC(NC5=CC=NC(C#CCCN6CCN(CCCCCCCCCC(=O)N[C@H](C(=O)N7C[C@H](O)C[C@H]7C(=O)N[C@@H](C)C7=CC=C(C8=C(C)N=CS8)C=C7)C(C)(C)C)CC6)=C5)=NC=C4C)=CN3C[C@H]2C)=N1", "label": -1}, "9034": {"pro_comp_id": 5839, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FLT3-ITD_P36888_484_lig_smina_out.mol2", "protac_path": "5839_protac.mol2", "smiles": "CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(C(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1", "label": -1}, "9035": {"pro_comp_id": 5840, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FLT3-ITD_P36888_484_lig_smina_out.mol2", "protac_path": "5840_protac.mol2", "smiles": "CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(C(=O)CCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1", "label": -1}, "9036": {"pro_comp_id": 5841, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FLT3-ITD_P36888_484_lig_smina_out.mol2", "protac_path": "5841_protac.mol2", "smiles": "CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(C(=O)CCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1", "label": -1}, "9037": {"pro_comp_id": 5842, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FLT3-ITD_P36888_484_lig_smina_out.mol2", "protac_path": "5842_protac.mol2", "smiles": "CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(C(=O)CCCCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1", "label": -1}, "9038": {"pro_comp_id": 5843, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FLT3-ITD_P36888_484_lig_smina_out.mol2", "protac_path": "5843_protac.mol2", "smiles": "CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(C(=O)CCCCCCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1", "label": -1}, "9039": {"pro_comp_id": 5844, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FLT3-ITD_P36888_484_lig_smina_out.mol2", "protac_path": "5844_protac.mol2", "smiles": "CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1", "label": -1}, "9040": {"pro_comp_id": 5845, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FLT3-ITD_P36888_484_lig_smina_out.mol2", "protac_path": "5845_protac.mol2", "smiles": "CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(C(=O)COC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1", "label": -1}, "9041": {"pro_comp_id": 5846, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FLT3-ITD_P36888_484_lig_smina_out.mol2", "protac_path": "5846_protac.mol2", "smiles": "CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(C(=O)CCCOC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1", "label": -1}, "9042": {"pro_comp_id": 5847, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FLT3-ITD_P36888_484_lig_smina_out.mol2", "protac_path": "5847_protac.mol2", "smiles": "CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(C(=O)CCCCCOC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1", "label": -1}, "9043": {"pro_comp_id": 5848, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FLT3-ITD_P36888_484_lig_smina_out.mol2", "protac_path": "5848_protac.mol2", "smiles": "CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(C(=O)CCCCCCCOC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1", "label": -1}, "9044": {"pro_comp_id": 5849, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FLT3-ITD_P36888_484_lig_smina_out.mol2", "protac_path": "5849_protac.mol2", "smiles": "CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(C(=O)CCCCCCCCCOC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1", "label": -1}, "9045": {"pro_comp_id": 5850, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FLT3-ITD_P36888_484_lig_smina_out.mol2", "protac_path": "5850_protac.mol2", "smiles": "CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(C(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1", "label": -1}, "9046": {"pro_comp_id": 5851, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FLT3-ITD_P36888_484_lig_smina_out.mol2", "protac_path": "5851_protac.mol2", "smiles": "CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(C(=O)CCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1", "label": -1}, "9047": {"pro_comp_id": 5852, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FLT3-ITD_P36888_484_lig_smina_out.mol2", "protac_path": "5852_protac.mol2", "smiles": "CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(C(=O)CCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1", "label": -1}, "9048": {"pro_comp_id": 5853, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FLT3-ITD_P36888_484_lig_smina_out.mol2", "protac_path": "5853_protac.mol2", "smiles": "CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(C(=O)CCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1", "label": -1}, "9049": {"pro_comp_id": 5854, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "FLT3-ITD_P36888_484_lig_smina_out.mol2", "protac_path": "5854_protac.mol2", "smiles": "CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(C(=O)CCCCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1", "label": -1}, "9050": {"pro_comp_id": 5855, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FLT3-ITD_P36888_484_lig_smina_out.mol2", "protac_path": "5855_protac.mol2", "smiles": "CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(C(=O)CNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1", "label": -1}, "9051": {"pro_comp_id": 5856, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FLT3-ITD_P36888_484_lig_smina_out.mol2", "protac_path": "5856_protac.mol2", "smiles": "CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(C(=O)CCCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1", "label": -1}, "9052": {"pro_comp_id": 5857, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FLT3-ITD_P36888_484_lig_smina_out.mol2", "protac_path": "5857_protac.mol2", "smiles": "CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(C(=O)CCCCCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1", "label": -1}, "9053": {"pro_comp_id": 5858, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FLT3-ITD_P36888_484_lig_smina_out.mol2", "protac_path": "5858_protac.mol2", "smiles": "CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(C(=O)CCCCCCCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1", "label": -1}, "9054": {"pro_comp_id": 5859, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "FLT3-ITD_P36888_484_lig_smina_out.mol2", "protac_path": "5859_protac.mol2", "smiles": "CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(C(=O)CCCCCCCCCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1", "label": -1}, "9055": {"pro_comp_id": 5860, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3-ITD_P36888_484_lig_smina_out.mol2", "protac_path": "5860_protac.mol2", "smiles": "CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(C(=O)COC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1", "label": -1}, "9056": {"pro_comp_id": 5861, "tar_path": "FLT3-ITD_P36888.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "FLT3-ITD_P36888_484_lig_smina_out.mol2", "protac_path": "5861_protac.mol2", "smiles": "CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(C(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1", "label": -1}, "9057": {"pro_comp_id": 5862, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ER_P03372_88_lig_smina_out.mol2", "protac_path": "5862_protac.mol2", "smiles": "CC/C(=C(/C1=CC=CC=C1)C1=CC=C(OCC(=O)NCCOCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)C=C1)C1=CC=CC=C1", "label": -1}, "9058": {"pro_comp_id": 5863, "tar_path": "ERalpha_P03372.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "ER_P03372_6_lig_smina_out.mol2", "protac_path": "5863_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCNC(=O)COC3=CC=C(C(=O)C4=C(C5=CC=C(O)C=C5)SC5=CC(O)=CC=C45)C=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "9059": {"pro_comp_id": 5864, "tar_path": "CAMKK1_Q8N5S9.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CAMKK1_Q8N5S9_554_lig_smina_out.mol2", "protac_path": "5864_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCOC3=CC=C4C(C5=CC=C(C(=O)O)C(C6CCCC6)=C5)=NC=NC4=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "9060": {"pro_comp_id": 5864, "tar_path": "CAMKK2_Q96RR4.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CAMKK2_Q96RR4_554_lig_smina_out.mol2", "protac_path": "5864_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCOC3=CC=C4C(C5=CC=C(C(=O)O)C(C6CCCC6)=C5)=NC=NC4=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "9061": {"pro_comp_id": 5865, "tar_path": "CAMKK1_Q8N5S9.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CAMKK1_Q8N5S9_554_lig_smina_out.mol2", "protac_path": "5865_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCOC3=CC=C4C(C5=CC=C(C(=O)O)C(C6CCCC6)=C5)=NC=NC4=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "9062": {"pro_comp_id": 5865, "tar_path": "CAMKK2_Q96RR4.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CAMKK2_Q96RR4_554_lig_smina_out.mol2", "protac_path": "5865_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCOC3=CC=C4C(C5=CC=C(C(=O)O)C(C6CCCC6)=C5)=NC=NC4=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "9063": {"pro_comp_id": 5866, "tar_path": "CAMKK1_Q8N5S9.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CAMKK1_Q8N5S9_554_lig_smina_out.mol2", "protac_path": "5866_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCOC3=CC=C4C(C5=CC=C(C(=O)O)C(C6CCCC6)=C5)=NC=NC4=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "9064": {"pro_comp_id": 5866, "tar_path": "CAMKK2_Q96RR4.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CAMKK2_Q96RR4_554_lig_smina_out.mol2", "protac_path": "5866_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCOC3=CC=C4C(C5=CC=C(C(=O)O)C(C6CCCC6)=C5)=NC=NC4=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "9065": {"pro_comp_id": 5867, "tar_path": "CAMKK1_Q8N5S9.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CAMKK1_Q8N5S9_554_lig_smina_out.mol2", "protac_path": "5867_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCOC3=CC=C4C(C5=CC=C(C(=O)O)C(C6CCCC6)=C5)=NC=NC4=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "9066": {"pro_comp_id": 5867, "tar_path": "CAMKK2_Q96RR4.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CAMKK2_Q96RR4_554_lig_smina_out.mol2", "protac_path": "5867_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCOC3=CC=C4C(C5=CC=C(C(=O)O)C(C6CCCC6)=C5)=NC=NC4=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "9067": {"pro_comp_id": 5868, "tar_path": "CAMKK1_Q8N5S9.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CAMKK1_Q8N5S9_554_lig_smina_out.mol2", "protac_path": "5868_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCOC3=CC=C4C(C5=CC=C(C(=O)O)C(C6CCCC6)=C5)=NC=NC4=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "9068": {"pro_comp_id": 5868, "tar_path": "CAMKK2_Q96RR4.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CAMKK2_Q96RR4_554_lig_smina_out.mol2", "protac_path": "5868_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCOC3=CC=C4C(C5=CC=C(C(=O)O)C(C6CCCC6)=C5)=NC=NC4=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "9069": {"pro_comp_id": 5869, "tar_path": "CAMKK1_Q8N5S9.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CAMKK1_Q8N5S9_554_lig_smina_out.mol2", "protac_path": "5869_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCOC3=CC=C4C(C5=CC=C(C(=O)O)C(C6CCCC6)=C5)=NC=NC4=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "9070": {"pro_comp_id": 5869, "tar_path": "CAMKK2_Q96RR4.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CAMKK2_Q96RR4_554_lig_smina_out.mol2", "protac_path": "5869_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCOC3=CC=C4C(C5=CC=C(C(=O)O)C(C6CCCC6)=C5)=NC=NC4=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "9071": {"pro_comp_id": 5870, "tar_path": "CAMKK1_Q8N5S9.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CAMKK1_Q8N5S9_554_lig_smina_out.mol2", "protac_path": "5870_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCOC3=CC=C4C(C5=CC=C(C(=O)O)C(C6CCCC6)=C5)=NC=NC4=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "9072": {"pro_comp_id": 5870, "tar_path": "CAMKK2_Q96RR4.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "CAMKK2_Q96RR4_554_lig_smina_out.mol2", "protac_path": "5870_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCOC3=CC=C4C(C5=CC=C(C(=O)O)C(C6CCCC6)=C5)=NC=NC4=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "9073": {"pro_comp_id": 5871, "tar_path": "PIM1_P11309.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PIM1_P11309_555_lig_smina_out.mol2", "protac_path": "5871_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCN3CCC(CNC4=NN5C(C6=CC=CC(OC(F)(F)F)=C6)=CN=C5C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "9074": {"pro_comp_id": 5872, "tar_path": "PIM1_P11309.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PIM1_P11309_555_lig_smina_out.mol2", "protac_path": "5872_protac.mol2", "smiles": "O=C(CCOCCOCCN1CCC(CNC2=NN3C(C4=CC=CC(OC(F)(F)F)=C4)=CN=C3C=C2)CC1)NCCNC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1", "label": -1}, "9076": {"pro_comp_id": 5874, "tar_path": "PIM1_P11309.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PIM1_P11309_555_lig_smina_out.mol2", "protac_path": "5874_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCC(=O)N3CCC(CNC4=NN5C(C6=CC=CC(OC(F)(F)F)=C6)=CN=C5C=C4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "9077": {"pro_comp_id": 5875, "tar_path": "PIM1_P11309.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PIM1_P11309_556_lig_smina_out.mol2", "protac_path": "5875_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCC(=O)N[C@H]3CCCN(C4=C(C5=CC=CC=C5)C=CC=C4/C=C4\\SC(=O)NC4=O)C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "9078": {"pro_comp_id": 5876, "tar_path": "PIM1_P11309.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "PIM1_P11309_557_lig_smina_out.mol2", "protac_path": "5876_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCC(=O)N[C@@H]3CC(C4=CC=NC=C4NC(=O)C4=CC=C(F)C(C5=C(F)C=CC=C5F)=N4)C[C@H](C)C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "9079": {"pro_comp_id": 5877, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "5877_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCNC(=O)C3=CC=C(F)C(C4=CC=C(N5C[C@H](C)N(C)[C@H](C)C5)C(NC(=O)C5=C[NH]C(=O)C=C5C(F)(F)F)=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "9080": {"pro_comp_id": 5878, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "5878_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCNC(=O)C3=CC=C(F)C(C4=CC=C(N5C[C@H](C)N(C)[C@H](C)C5)C(NC(=O)C5=C[NH]C(=O)C=C5C(F)(F)F)=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "9081": {"pro_comp_id": 5879, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "5879_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCNC(=O)C3=CC=C(F)C(C4=CC=C(N5C[C@H](C)N(C)[C@H](C)C5)C(NC(=O)C5=C[NH]C(=O)C=C5C(F)(F)F)=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "9082": {"pro_comp_id": 5880, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "5880_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCNC(=O)C3=CC=C(F)C(C4=CC=C(N5C[C@H](C)N(C)[C@H](C)C5)C(NC(=O)C5=C[NH]C(=O)C=C5C(F)(F)F)=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "9083": {"pro_comp_id": 5881, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "5881_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C3=CC=C(F)C(C4=CC=C(N5C[C@H](C)N(C)[C@H](C)C5)C(NC(=O)C5=C[NH]C(=O)C=C5C(F)(F)F)=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "9084": {"pro_comp_id": 5882, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "5882_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCNC(=O)C3=CC=C(F)C(C4=CC=C(N5C[C@H](C)N(C)[C@H](C)C5)C(NC(=O)C5=C[NH]C(=O)C=C5C(F)(F)F)=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "9085": {"pro_comp_id": 5883, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "5883_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCNC(=O)C3=CC=C(F)C(C4=CC=C(N5C[C@H](C)N(C)[C@H](C)C5)C(NC(=O)C5=C[NH]C(=O)C=C5C(F)(F)F)=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "9086": {"pro_comp_id": 5884, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "5884_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCNC(=O)C3=CC=C(F)C(C4=CC=C(N5C[C@H](C)N(C)[C@H](C)C5)C(NC(=O)C5=C[NH]C(=O)C=C5C(F)(F)F)=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "9087": {"pro_comp_id": 5885, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "5885_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCNC(=O)C3=CC=C(F)C(C4=CC=C(N5C[C@H](C)N(C)[C@H](C)C5)C(NC(=O)C5=C[NH]C(=O)C=C5C(F)(F)F)=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "9088": {"pro_comp_id": 5886, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "5886_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCNC(=O)C3=CC=C(F)C(C4=CC=C(N5C[C@H](C)N(C)[C@H](C)C5)C(NC(=O)C5=C[NH]C(=O)C=C5C(F)(F)F)=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "9089": {"pro_comp_id": 5887, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "5887_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCNC(=O)C3=CC=C(F)C(C4=CC=C(N5C[C@H](C)N(C)[C@H](C)C5)C(NC(=O)C5=C[NH]C(=O)C=C5C(F)(F)F)=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "9090": {"pro_comp_id": 5888, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "5888_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCNC(=O)C3=CC=C(F)C(C4=CC=C(N5C[C@H](C)N(C)[C@H](C)C5)C(NC(=O)C5=C[NH]C(=O)C=C5C(F)(F)F)=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "9091": {"pro_comp_id": 5889, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "5889_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCNC(=O)C3=CC=C(F)C(C4=CC=C(N5C[C@H](C)N(C)[C@H](C)C5)C(NC(=O)C5=C[NH]C(=O)C=C5C(F)(F)F)=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "9092": {"pro_comp_id": 5890, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "5890_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCNC(=O)C3=CC=C(F)C(C4=CC=C(N5C[C@H](C)N(C)[C@H](C)C5)C(NC(=O)C5=C[NH]C(=O)C=C5C(F)(F)F)=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "9093": {"pro_comp_id": 5891, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "5891_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCNC(=O)C3=CC=C(F)C(C4=CC=C(N5C[C@H](C)N(C)[C@H](C)C5)C(NC(=O)C5=C[NH]C(=O)C=C5C(F)(F)F)=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "9094": {"pro_comp_id": 5892, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "5892_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCNC(=O)C3=CC=C(F)C(C4=CC=C(N5C[C@H](C)N(C)[C@H](C)C5)C(NC(=O)C5=C[NH]C(=O)C=C5C(F)(F)F)=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "9095": {"pro_comp_id": 5893, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "5893_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNC(=O)C3=CC=C(F)C(C4=CC=C(N5C[C@H](C)N(C)[C@H](C)C5)C(NC(=O)C5=C[NH]C(=O)C=C5C(F)(F)F)=C4)=C3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "9096": {"pro_comp_id": 5894, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "5894_protac.mol2", "smiles": "CN1CCN(C2=CC=C(C3=CC=CC(CN4CCN(CCNC(=O)CCCCCCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=C3)C=C2NC(=O)C2=C[NH]C(=O)C=C2C(F)(F)F)CC1", "label": -1}, "9097": {"pro_comp_id": 5895, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "5895_protac.mol2", "smiles": "CN1CCN(C2=CC=C(C3=CC=CC(CN4CCN(CCNC(=O)CCCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=C3)C=C2NC(=O)C2=C[NH]C(=O)C=C2C(F)(F)F)CC1", "label": -1}, "9098": {"pro_comp_id": 5896, "tar_path": "WDR5_P61964.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "WDR5_P61964_277_lig_smina_out.mol2", "protac_path": "5896_protac.mol2", "smiles": "C[C@H]1CN(C2=CC=C(C3=CC(C(=O)NCCCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=CC=C3F)C=C2NC(=O)C2=C[NH]C(=O)C=C2C(F)(F)F)C[C@@H](C)N1C", "label": -1}, "9099": {"pro_comp_id": 5897, "tar_path": "PTPN2_P17706.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PTPN2_P17706_558_lig_smina_out.mol2", "protac_path": "5897_protac.mol2", "smiles": "CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)NCCCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "9100": {"pro_comp_id": 5897, "tar_path": "PTP1B_P18031.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PTP1B_P18031_558_lig_smina_out.mol2", "protac_path": "5897_protac.mol2", "smiles": "CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)NCCCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "9101": {"pro_comp_id": 5898, "tar_path": "PTPN2_P17706.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PTPN2_P17706_558_lig_smina_out.mol2", "protac_path": "5898_protac.mol2", "smiles": "CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)NCCCCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "9102": {"pro_comp_id": 5898, "tar_path": "PTP1B_P18031.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PTP1B_P18031_558_lig_smina_out.mol2", "protac_path": "5898_protac.mol2", "smiles": "CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)NCCCCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "9103": {"pro_comp_id": 5899, "tar_path": "PTPN2_P17706.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PTPN2_P17706_558_lig_smina_out.mol2", "protac_path": "5899_protac.mol2", "smiles": "CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)NCCCCCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "9104": {"pro_comp_id": 5899, "tar_path": "PTP1B_P18031.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PTP1B_P18031_558_lig_smina_out.mol2", "protac_path": "5899_protac.mol2", "smiles": "CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)NCCCCCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "9105": {"pro_comp_id": 5900, "tar_path": "PTPN2_P17706.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PTPN2_P17706_558_lig_smina_out.mol2", "protac_path": "5900_protac.mol2", "smiles": "CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)NCCCCCCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "9106": {"pro_comp_id": 5900, "tar_path": "PTP1B_P18031.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PTP1B_P18031_558_lig_smina_out.mol2", "protac_path": "5900_protac.mol2", "smiles": "CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)NCCCCCCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "9107": {"pro_comp_id": 5901, "tar_path": "PTPN2_P17706.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PTPN2_P17706_558_lig_smina_out.mol2", "protac_path": "5901_protac.mol2", "smiles": "CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)NCCCCCCCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "9108": {"pro_comp_id": 5901, "tar_path": "PTP1B_P18031.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PTP1B_P18031_558_lig_smina_out.mol2", "protac_path": "5901_protac.mol2", "smiles": "CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)NCCCCCCCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "9109": {"pro_comp_id": 5902, "tar_path": "PTPN2_P17706.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PTPN2_P17706_558_lig_smina_out.mol2", "protac_path": "5902_protac.mol2", "smiles": "CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)NCCCCCCCCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "9110": {"pro_comp_id": 5902, "tar_path": "PTP1B_P18031.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PTP1B_P18031_558_lig_smina_out.mol2", "protac_path": "5902_protac.mol2", "smiles": "CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)NCCCCCCCCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "9111": {"pro_comp_id": 5903, "tar_path": "PTPN2_P17706.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "PTPN2_P17706_558_lig_smina_out.mol2", "protac_path": "5903_protac.mol2", "smiles": "CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)NCCCCC(=O)NC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "9112": {"pro_comp_id": 5903, "tar_path": "PTP1B_P18031.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "PTP1B_P18031_558_lig_smina_out.mol2", "protac_path": "5903_protac.mol2", "smiles": "CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)NCCCCC(=O)NC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "9113": {"pro_comp_id": 5904, "tar_path": "PTPN2_P17706.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "PTPN2_P17706_558_lig_smina_out.mol2", "protac_path": "5904_protac.mol2", "smiles": "CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)NCCCCCC(=O)NC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "9114": {"pro_comp_id": 5904, "tar_path": "PTP1B_P18031.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "PTP1B_P18031_558_lig_smina_out.mol2", "protac_path": "5904_protac.mol2", "smiles": "CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)NCCCCCC(=O)NC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "9115": {"pro_comp_id": 5905, "tar_path": "PTPN2_P17706.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "PTPN2_P17706_558_lig_smina_out.mol2", "protac_path": "5905_protac.mol2", "smiles": "CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)NCCCCCCC(=O)NC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "9116": {"pro_comp_id": 5905, "tar_path": "PTP1B_P18031.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "PTP1B_P18031_558_lig_smina_out.mol2", "protac_path": "5905_protac.mol2", "smiles": "CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)NCCCCCCC(=O)NC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "9117": {"pro_comp_id": 5906, "tar_path": "PTPN2_P17706.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "PTPN2_P17706_558_lig_smina_out.mol2", "protac_path": "5906_protac.mol2", "smiles": "CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)NCCCCCCCC(=O)NC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "9118": {"pro_comp_id": 5906, "tar_path": "PTP1B_P18031.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "PTP1B_P18031_558_lig_smina_out.mol2", "protac_path": "5906_protac.mol2", "smiles": "CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)NCCCCCCCC(=O)NC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "9119": {"pro_comp_id": 5907, "tar_path": "PTPN2_P17706.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "PTPN2_P17706_558_lig_smina_out.mol2", "protac_path": "5907_protac.mol2", "smiles": "CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)NCCCCCCCCC(=O)NC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "9120": {"pro_comp_id": 5907, "tar_path": "PTP1B_P18031.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "PTP1B_P18031_558_lig_smina_out.mol2", "protac_path": "5907_protac.mol2", "smiles": "CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)NCCCCCCCCC(=O)NC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "9121": {"pro_comp_id": 5908, "tar_path": "PTPN2_P17706.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "PTPN2_P17706_558_lig_smina_out.mol2", "protac_path": "5908_protac.mol2", "smiles": "CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)NCCOCCC(=O)NC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "9122": {"pro_comp_id": 5908, "tar_path": "PTP1B_P18031.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "PTP1B_P18031_558_lig_smina_out.mol2", "protac_path": "5908_protac.mol2", "smiles": "CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)NCCOCCC(=O)NC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C=C1", "label": -1}, "9123": {"pro_comp_id": 5909, "tar_path": "PTPN2_P17706.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "PTPN2_P17706_558_lig_smina_out.mol2", "protac_path": "5909_protac.mol2", "smiles": "CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)N2CCN(CCC(=O)NC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)CC2)C=C1", "label": -1}, "9124": {"pro_comp_id": 5909, "tar_path": "PTP1B_P18031.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "PTP1B_P18031_558_lig_smina_out.mol2", "protac_path": "5909_protac.mol2", "smiles": "CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)N2CCN(CCC(=O)NC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)CC2)C=C1", "label": -1}, "9125": {"pro_comp_id": 5910, "tar_path": "SQS_P37268.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SQS_P37268_559_lig_smina_out.mol2", "protac_path": "5910_protac.mol2", "smiles": "CC(C)(C)CN(C(=O)CCC(=O)N1CCC(C(=O)NCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1)C1=CC=C(Cl)C=C1C(O)C1=CC=CC=C1Cl", "label": -1}, "9126": {"pro_comp_id": 5911, "tar_path": "SQS_P37268.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SQS_P37268_559_lig_smina_out.mol2", "protac_path": "5911_protac.mol2", "smiles": "CC(C)(C)CN(C(=O)CCC(=O)N1CCC(C(=O)NCCCOCCCCOCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1)C1=CC=C(Cl)C=C1C(O)C1=CC=CC=C1Cl", "label": -1}, "9127": {"pro_comp_id": 5912, "tar_path": "SQS_P37268.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SQS_P37268_559_lig_smina_out.mol2", "protac_path": "5912_protac.mol2", "smiles": "CC(C)(C)CN(C(=O)CCC(=O)N1CCC(C(=O)NCCCOCCOCCOCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1)C1=CC=C(Cl)C=C1C(O)C1=CC=CC=C1Cl", "label": -1}, "9128": {"pro_comp_id": 5913, "tar_path": "SQS_P37268.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SQS_P37268_559_lig_smina_out.mol2", "protac_path": "5913_protac.mol2", "smiles": "CC(C)(C)CN(C(=O)CCC(=O)N1CCC(C(=O)NCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1)C1=CC=C(Cl)C=C1C(O)C1=CC=CC=C1Cl", "label": -1}, "9129": {"pro_comp_id": 5914, "tar_path": "SQS_P37268.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SQS_P37268_559_lig_smina_out.mol2", "protac_path": "5914_protac.mol2", "smiles": "CC(C)(C)CN(C(=O)CCC(=O)N1CCC(C(=O)NCCCCCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1)C1=CC=C(Cl)C=C1C(O)C1=CC=CC=C1Cl", "label": -1}, "9130": {"pro_comp_id": 5915, "tar_path": "SQS_P37268.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "SQS_P37268_559_lig_smina_out.mol2", "protac_path": "5915_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCNC(=O)C3CCN(C(=O)CCC(=O)N(CC(C)(C)C)C4=CC=C(Cl)C=C4C(O)C4=CC=CC=C4Cl)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "9131": {"pro_comp_id": 5916, "tar_path": "SQS_P37268.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "SQS_P37268_559_lig_smina_out.mol2", "protac_path": "5916_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCNC(=O)C3CCN(C(=O)CCC(=O)N(CC(C)(C)C)C4=CC=C(Cl)C=C4C(O)C4=CC=CC=C4Cl)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "9132": {"pro_comp_id": 5917, "tar_path": "SQS_P37268.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "SQS_P37268_559_lig_smina_out.mol2", "protac_path": "5917_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCNC(=O)C3CCN(C(=O)CCC(=O)N(CC(C)(C)C)C4=CC=C(Cl)C=C4C(O)C4=CC=CC=C4Cl)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "9133": {"pro_comp_id": 5918, "tar_path": "SQS_P37268.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SQS_P37268_560_lig_smina_out.mol2", "protac_path": "5918_protac.mol2", "smiles": "COC1=CC=C(CCC(=O)NC2=NC3=CC=C(CCC(=O)NCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3S2)C=C1OC", "label": -1}, "9134": {"pro_comp_id": 5919, "tar_path": "SQS_P37268.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SQS_P37268_560_lig_smina_out.mol2", "protac_path": "5919_protac.mol2", "smiles": "COC1=CC=C(CCC(=O)NC2=NC3=CC=C(CCC(=O)NCCCOCCCCOCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3S2)C=C1OC", "label": -1}, "9135": {"pro_comp_id": 5920, "tar_path": "SQS_P37268.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SQS_P37268_560_lig_smina_out.mol2", "protac_path": "5920_protac.mol2", "smiles": "COC1=CC=C(CCC(=O)NC2=NC3=CC=C(CCC(=O)NCCCOCCOCCOCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3S2)C=C1OC", "label": -1}, "9136": {"pro_comp_id": 5921, "tar_path": "SQS_P37268.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SQS_P37268_560_lig_smina_out.mol2", "protac_path": "5921_protac.mol2", "smiles": "COC1=CC=C(CCC(=O)NC2=NC3=CC=C(CCC(=O)NCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3S2)C=C1OC", "label": -1}, "9137": {"pro_comp_id": 5922, "tar_path": "SQS_P37268.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SQS_P37268_560_lig_smina_out.mol2", "protac_path": "5922_protac.mol2", "smiles": "COC1=CC=C(CCC(=O)NC2=NC3=CC=C(CCC(=O)NCCCCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3S2)C=C1OC", "label": -1}, "9138": {"pro_comp_id": 5923, "tar_path": "SQS_P37268.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "SQS_P37268_560_lig_smina_out.mol2", "protac_path": "5923_protac.mol2", "smiles": "COC1=CC=C(CCC(=O)NC2=NC3=CC=C(CCC(=O)NCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3S2)C=C1OC", "label": -1}, "9139": {"pro_comp_id": 5924, "tar_path": "SQS_P37268.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "SQS_P37268_560_lig_smina_out.mol2", "protac_path": "5924_protac.mol2", "smiles": "COC1=CC=C(CCC(=O)NC2=NC3=CC=C(CCC(=O)NCCOCCOCCOCCOCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3S2)C=C1OC", "label": -1}, "9140": {"pro_comp_id": 5925, "tar_path": "SQS_P37268.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "SQS_P37268_560_lig_smina_out.mol2", "protac_path": "5925_protac.mol2", "smiles": "COC1=CC=C(CCC(=O)NC2=NC3=CC=C(CCC(=O)NCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3S2)C=C1OC", "label": -1}, "9141": {"pro_comp_id": 5926, "tar_path": "SQS_P37268.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "SQS_P37268_560_lig_smina_out.mol2", "protac_path": "5926_protac.mol2", "smiles": "COC1=CC=C(CCC(=O)NC2=NC3=CC=C(CCC(=O)NCCCCCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3S2)C=C1OC", "label": -1}, "9142": {"pro_comp_id": 5927, "tar_path": "GR_P04150.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "GR_P04150_561_lig_smina_out.mol2", "protac_path": "5927_protac.mol2", "smiles": "C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)NCCCCCCCCCCOCC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O", "label": -1}, "9143": {"pro_comp_id": 5928, "tar_path": "GR_P04150.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "GR_P04150_561_lig_smina_out.mol2", "protac_path": "5928_protac.mol2", "smiles": "C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)NCCCCCCCCCCCCOCC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O", "label": -1}, "9144": {"pro_comp_id": 5929, "tar_path": "GR_P04150.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "GR_P04150_561_lig_smina_out.mol2", "protac_path": "5929_protac.mol2", "smiles": "C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)NCCOCCOCCOCCC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O", "label": -1}, "9145": {"pro_comp_id": 5930, "tar_path": "GR_P04150.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "GR_P04150_561_lig_smina_out.mol2", "protac_path": "5930_protac.mol2", "smiles": "C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)NCCOCCOCCOCCOCCC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O", "label": -1}, "9146": {"pro_comp_id": 5931, "tar_path": "MAP4K1_Q92918.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MAP4K1_Q92918_562_lig_smina_out.mol2", "protac_path": "5931_protac.mol2", "smiles": "COC1=CC=C(C2=C[NH]C3=NC=C(C4=CC=C(N5CCN(C(=O)COC6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)C=C4)C=C23)C=C1OC", "label": -1}, "9147": {"pro_comp_id": 5932, "tar_path": "MAP4K1_Q92918.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MAP4K1_Q92918_562_lig_smina_out.mol2", "protac_path": "5932_protac.mol2", "smiles": "COC1=CC=C(C2=C[NH]C3=NC=C(C4=CC=C(N5CCN(C(=O)COC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)C=C23)C=C1OC", "label": -1}, "9148": {"pro_comp_id": 5933, "tar_path": "MAP4K1_Q92918.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MAP4K1_Q92918_562_lig_smina_out.mol2", "protac_path": "5933_protac.mol2", "smiles": "COC1=CC=C(C2=C[NH]C3=NC=C(C4=CC=C(N5CCN(C(=O)C6CCN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)CC6)CC5)C=C4)C=C23)C=C1OC", "label": -1}, "9149": {"pro_comp_id": 5934, "tar_path": "MAP4K1_Q92918.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MAP4K1_Q92918_562_lig_smina_out.mol2", "protac_path": "5934_protac.mol2", "smiles": "COC1=CC=C(C2=C[NH]C3=NC=C(C4=CC=C(N5CCN(C(=O)CCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)C=C23)C=C1OC", "label": -1}, "9150": {"pro_comp_id": 5935, "tar_path": "MAP4K1_Q92918.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MAP4K1_Q92918_562_lig_smina_out.mol2", "protac_path": "5935_protac.mol2", "smiles": "COC1=CC=C(C2=C[NH]C3=NC=C(C4=CC=C(N5CCN(C(=O)CCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)C=C23)C=C1OC", "label": -1}, "9151": {"pro_comp_id": 5936, "tar_path": "MAP4K1_Q92918.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MAP4K1_Q92918_562_lig_smina_out.mol2", "protac_path": "5936_protac.mol2", "smiles": "COC1=CC=C(C2=C[NH]C3=NC=C(C4=CC=C(N5CCN(C(=O)CCOCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)C=C23)C=C1OC", "label": -1}, "9152": {"pro_comp_id": 5937, "tar_path": "MAP4K1_Q92918.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "MAP4K1_Q92918_562_lig_smina_out.mol2", "protac_path": "5937_protac.mol2", "smiles": "COC1=CC=C(C2=C[NH]C3=NC=C(C4=CC=C(N5CCN(C(=O)CCOCCOCCOCCOCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)C=C23)C=C1OC", "label": -1}, "9153": {"pro_comp_id": 5938, "tar_path": "MAP4K1_Q92918.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MAP4K1_Q92918_562_lig_smina_out.mol2", "protac_path": "5938_protac.mol2", "smiles": "COC1=CC=C(C2=C[NH]C3=NC=C(C4=CC=C(N5CCN(C(=O)CCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)C=C23)C=C1OC", "label": -1}, "9154": {"pro_comp_id": 5939, "tar_path": "MAP4K1_Q92918.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MAP4K1_Q92918_562_lig_smina_out.mol2", "protac_path": "5939_protac.mol2", "smiles": "COC1=CC=C(C2=C[NH]C3=NC=C(C4=CC=C(N5CCN(C(=O)CCCCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)C=C23)C=C1OC", "label": -1}, "9155": {"pro_comp_id": 5940, "tar_path": "MAP4K1_Q92918.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MAP4K1_Q92918_562_lig_smina_out.mol2", "protac_path": "5940_protac.mol2", "smiles": "COC1=CC=C(C2=C[NH]C3=NC=C(C4=CC=C(N5CCN(C(=O)CCCCCCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)C=C23)C=C1OC", "label": -1}, "9156": {"pro_comp_id": 5941, "tar_path": "MAP4K1_Q92918.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "MAP4K1_Q92918_562_lig_smina_out.mol2", "protac_path": "5941_protac.mol2", "smiles": "COC1=CC=C(C2=C[NH]C3=NC=C(C4=CC=C(N5CCN(C(=O)CCCCCCCCCCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)C=C23)C=C1OC", "label": -1}, "9157": {"pro_comp_id": 5942, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "5942_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)N1CCC(C3=CC=C4C(=O)N(C5CCC(=O)NC5=O)CC4=C3)CC1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "9158": {"pro_comp_id": 5943, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "5943_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCN1CCC(C3=CC=C4C(=O)N(C5CCC(=O)NC5=O)CC4=C3)CC1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "9159": {"pro_comp_id": 5944, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "5944_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCN1CCC(C3=CC=C4C(=O)N(C5CCC(=O)NC5=O)CC4=C3)CC1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "9160": {"pro_comp_id": 5945, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "5945_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCN1CCC(C3=CC=C4C(=O)N(C5CCC(=O)NC5=O)CC4=C3)CC1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "9161": {"pro_comp_id": 5946, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "5946_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCN1CCC(C3=CC=C4C(=O)N(C5CCC(=O)NC5=O)CC4=C3)CC1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "9162": {"pro_comp_id": 5947, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "5947_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCCN1CCC(C3=CC=C4C(=O)N(C5CCC(=O)NC5=O)CC4=C3)CC1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "9163": {"pro_comp_id": 5948, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "5948_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NC1=CC=C(CC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)CC4=C3)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "9164": {"pro_comp_id": 5949, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "5949_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCNC1=CC=C(CC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)CC4=C3)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "9165": {"pro_comp_id": 5950, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "5950_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCNC1=CC=C(CC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)CC4=C3)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "9166": {"pro_comp_id": 5951, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "5951_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC1=CC=C(CC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)CC4=C3)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "9167": {"pro_comp_id": 5952, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "5952_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCNC1=CC=C(CC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)CC4=C3)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "9168": {"pro_comp_id": 5953, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "5953_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCCNC1=CC=C(CC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)CC4=C3)C=C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "9169": {"pro_comp_id": 5954, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "5954_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCN1CCC3(CCC(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)CC5=C4)CC3)CC1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "9170": {"pro_comp_id": 5955, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "5955_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCN1CC3(CCC(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)CC5=C4)CC3)C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "9171": {"pro_comp_id": 5956, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "5956_protac.mol2", "smiles": "CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCN1CC(N3CCC(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)CC5=C4)CC3)C1)N=C2C1=CC=C(Cl)C=C1", "label": -1}, "9174": {"pro_comp_id": 5959, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "5959_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCCCC#CC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "9175": {"pro_comp_id": 5960, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "5960_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCCCC#CC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CC1", "label": -1}, "9176": {"pro_comp_id": 5961, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "5961_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCN2CCN(C3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)CC1", "label": -1}, "9177": {"pro_comp_id": 5962, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "5962_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCN2CCN(C3=CC4=C(C=C3F)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1", "label": -1}, "9178": {"pro_comp_id": 5963, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "5963_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCCN2CCN(C3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)CC1", "label": -1}, "9179": {"pro_comp_id": 5964, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "5964_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCCN2CCN(C3=CC4=C(C=C3F)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1", "label": -1}, "9180": {"pro_comp_id": 5965, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "5965_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CC(=O)N2CCN(C3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)CC1", "label": -1}, "9181": {"pro_comp_id": 5966, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "5966_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CC(=O)N2CCN(C3=CC4=C(C=C3F)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1", "label": -1}, "9182": {"pro_comp_id": 5967, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "5967_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCCC(=O)N2CCN(C3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)CC1", "label": -1}, "9183": {"pro_comp_id": 5968, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "5968_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCCC(=O)N2CCN(C3=CC4=C(C=C3F)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1", "label": -1}, "9184": {"pro_comp_id": 5969, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "5969_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCC(=O)N2CC3(C2)CN(C2=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C2)C3)CC1", "label": -1}, "9185": {"pro_comp_id": 5970, "tar_path": "ALK_Q9UM73.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "ALK_Q9UM73_29_lig_smina_out.mol2", "protac_path": "5970_protac.mol2", "smiles": "CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCC(=O)N2CC3(C2)CN(C2=CC4=C(C=C2F)C(=O)N(C2CCC(=O)NC2=O)C4=O)C3)CC1", "label": -1}, "9196": {"pro_comp_id": 5976, "tar_path": "Beta-tubulin_P07437.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Beta-tubulin_P07437_148_lig_smina_out.mol2", "protac_path": "5976_protac.mol2", "smiles": "COC1=CC=C(/C=C\\C2=CC(OC)=C(OC)C(OC)=C2)C=C1OCC1=CN(CCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1", "label": -1}, "9199": {"pro_comp_id": 5977, "tar_path": "Beta-tubulin_P07437.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Beta-tubulin_P07437_148_lig_smina_out.mol2", "protac_path": "5977_protac.mol2", "smiles": "COC1=CC=C(/C=C\\C2=CC(OC)=C(OC)C(OC)=C2)C=C1OCC1=CN(CCCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1", "label": -1}, "9202": {"pro_comp_id": 5978, "tar_path": "Beta-tubulin_P07437.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Beta-tubulin_P07437_148_lig_smina_out.mol2", "protac_path": "5978_protac.mol2", "smiles": "COC1=CC=C(/C=C\\C2=CC(OC)=C(OC)C(OC)=C2)C=C1OCC1=CN(CCCCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1", "label": -1}, "9205": {"pro_comp_id": 5979, "tar_path": "Beta-tubulin_P07437.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Beta-tubulin_P07437_148_lig_smina_out.mol2", "protac_path": "5979_protac.mol2", "smiles": "COC1=CC=C(/C=C\\C2=CC(OC)=C(OC)C(OC)=C2)C=C1OC(=O)CCCOCCC1=CN(CCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1", "label": -1}, "9208": {"pro_comp_id": 5980, "tar_path": "Beta-tubulin_P07437.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Beta-tubulin_P07437_148_lig_smina_out.mol2", "protac_path": "5980_protac.mol2", "smiles": "COC1=CC=C(/C=C\\C2=CC(OC)=C(OC)C(OC)=C2)C=C1OC(=O)CCCOCCC1=CN(CCCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1", "label": -1}, "9211": {"pro_comp_id": 5981, "tar_path": "Beta-tubulin_P07437.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Beta-tubulin_P07437_148_lig_smina_out.mol2", "protac_path": "5981_protac.mol2", "smiles": "COC1=CC=C(/C=C\\C2=CC(OC)=C(OC)C(OC)=C2)C=C1OC(=O)CCCOCCC1=CN(CCCCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1", "label": -1}, "9214": {"pro_comp_id": 5982, "tar_path": "Beta-tubulin_P07437.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Beta-tubulin_P07437_148_lig_smina_out.mol2", "protac_path": "5982_protac.mol2", "smiles": "COC1=CC=C(/C=C\\C2=CC(OC)=C(OC)C(OC)=C2)C=C1OC(=O)CCCCOCCC1=CN(CCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1", "label": -1}, "9217": {"pro_comp_id": 5983, "tar_path": "Beta-tubulin_P07437.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Beta-tubulin_P07437_148_lig_smina_out.mol2", "protac_path": "5983_protac.mol2", "smiles": "COC1=CC=C(/C=C\\C2=CC(OC)=C(OC)C(OC)=C2)C=C1OC(=O)CCCCOCCC1=CN(CCCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1", "label": -1}, "9220": {"pro_comp_id": 5984, "tar_path": "Beta-tubulin_P07437.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Beta-tubulin_P07437_148_lig_smina_out.mol2", "protac_path": "5984_protac.mol2", "smiles": "COC1=CC=C(/C=C\\C2=CC(OC)=C(OC)C(OC)=C2)C=C1OC(=O)CCCCOCCC1=CN(CCCCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1", "label": -1}, "9223": {"pro_comp_id": 5985, "tar_path": "Beta-tubulin_P07437.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Beta-tubulin_P07437_148_lig_smina_out.mol2", "protac_path": "5985_protac.mol2", "smiles": "COC1=CC=C(/C=C\\C2=CC(OC)=C(OC)C(OC)=C2)C=C1OC(=O)CCCCCOCCC1=CN(CCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1", "label": -1}, "9226": {"pro_comp_id": 5986, "tar_path": "Beta-tubulin_P07437.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Beta-tubulin_P07437_148_lig_smina_out.mol2", "protac_path": "5986_protac.mol2", "smiles": "COC1=CC=C(/C=C\\C2=CC(OC)=C(OC)C(OC)=C2)C=C1OC(=O)CCCCCOCCC1=CN(CCCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1", "label": -1}, "9229": {"pro_comp_id": 5987, "tar_path": "Beta-tubulin_P07437.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Beta-tubulin_P07437_148_lig_smina_out.mol2", "protac_path": "5987_protac.mol2", "smiles": "COC1=CC=C(/C=C\\C2=CC(OC)=C(OC)C(OC)=C2)C=C1OC(=O)CCCCCOCCC1=CN(CCCCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1", "label": -1}, "9232": {"pro_comp_id": 5988, "tar_path": "Beta-tubulin_P07437.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Beta-tubulin_P07437_148_lig_smina_out.mol2", "protac_path": "5988_protac.mol2", "smiles": "COC1=CC=C(/C=C\\C2=CC(OC)=C(OC)C(OC)=C2)C=C1OC(=O)CCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "9235": {"pro_comp_id": 5989, "tar_path": "Beta-tubulin_P07437.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Beta-tubulin_P07437_148_lig_smina_out.mol2", "protac_path": "5989_protac.mol2", "smiles": "COC1=CC=C(/C=C\\C2=CC(OC)=C(OC)C(OC)=C2)C=C1OC(=O)CCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "9238": {"pro_comp_id": 5990, "tar_path": "Beta-tubulin_P07437.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Beta-tubulin_P07437_148_lig_smina_out.mol2", "protac_path": "5990_protac.mol2", "smiles": "COC1=CC=C(/C=C\\C2=CC(OC)=C(OC)C(OC)=C2)C=C1OC(=O)CCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "9241": {"pro_comp_id": 5991, "tar_path": "Beta-tubulin_P07437.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Beta-tubulin_P07437_148_lig_smina_out.mol2", "protac_path": "5991_protac.mol2", "smiles": "COC1=CC=C(/C=C\\C2=CC(OC)=C(OC)C(OC)=C2)C=C1OC(=O)CNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "9244": {"pro_comp_id": 5992, "tar_path": "Beta-tubulin_P07437.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "Beta-tubulin_P07437_148_lig_smina_out.mol2", "protac_path": "5992_protac.mol2", "smiles": "COC1=CC=C(/C=C\\C2=CC(OC)=C(OC)C(OC)=C2)C=C1OC(=O)CCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O", "label": -1}, "9246": {"pro_comp_id": 5993, "tar_path": "BRD9_Q9H8M2.pdb", "e3_ligase_path": "DCAF1_Q9Y4B6.pdb", "e3_lig_path": "DCAF1_Q9Y4B6_106_lig_smina_out.mol2", "war_path": "BRD9_Q9H8M2_2_lig_smina_out.mol2", "protac_path": "5993_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=C(OC)C=C1CN1CCC(OCCCCCC(=O)N2CCN(C3=CC=C4C(NCCN)=NC(C5(C6=CC=C(Cl)C=C6)CCCCC5)=NC4=C3)CC2)CC1", "label": -1}, "9247": {"pro_comp_id": 5993, "tar_path": "BRD7_Q9NPI1.pdb", "e3_ligase_path": "DCAF1_Q9Y4B6.pdb", "e3_lig_path": "DCAF1_Q9Y4B6_106_lig_smina_out.mol2", "war_path": "BRD7_Q9NPI1_2_lig_smina_out.mol2", "protac_path": "5993_protac.mol2", "smiles": "COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=C(OC)C=C1CN1CCC(OCCCCCC(=O)N2CCN(C3=CC=C4C(NCCN)=NC(C5(C6=CC=C(Cl)C=C6)CCCCC5)=NC4=C3)CC2)CC1", "label": -1}, "9248": {"pro_comp_id": 5994, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "DCAF1_Q9Y4B6.pdb", "e3_lig_path": "DCAF1_Q9Y4B6_106_lig_smina_out.mol2", "war_path": "BTK_Q06187_48_lig_smina_out.mol2", "protac_path": "5994_protac.mol2", "smiles": "CC1=NC(NC2=NC=C(C(=O)CC3=C(C)C=CC=C3Cl)S2)=CC(N2CCC(OC3CCN(CCCCCCCC(=O)N4CCN(C5=CC=C6C(NCCN)=NC(C7(C8=CC=C(Cl)C=C8)CCCCC7)=NC6=C5)CC4)CC3)CC2)=N1", "label": -1}, "9249": {"pro_comp_id": 5995, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "BTK_Q06187_48_lig_smina_out.mol2", "protac_path": "5995_protac.mol2", "smiles": "CC1=NC(NC2=NC=C(C(=O)CC3=C(C)C=CC=C3Cl)S2)=CC(N2CCN(CCN3CCN(C(=O)N4CCN(CCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)CC4)CC3)CC2)=N1", "label": -1}, "9250": {"pro_comp_id": 5996, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "DCAF1_Q9Y4B6.pdb", "e3_lig_path": "DCAF1_Q9Y4B6_106_lig_smina_out.mol2", "war_path": "BTK_Q06187_565_lig_smina_out.mol2", "protac_path": "5996_protac.mol2", "smiles": "CC1=C(NC(=O)C2=CC=C(C(C)(C)O)C=C2)C=C(F)C=C1C1=NC=NC2=C1C=C(C1=CC=C(CNCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)N3CCN(C4=CC=C5C(NCCN)=NC(C6(C7=CC=C(Cl)C=C7)CCCCC6)=NC5=C4)CC3)C=C1)[NH]2", "label": -1}, "9251": {"pro_comp_id": 5997, "tar_path": "BTK_Q06187.pdb", "e3_ligase_path": "DCAF1_Q9Y4B6.pdb", "e3_lig_path": "DCAF1_Q9Y4B6_106_lig_smina_out.mol2", "war_path": "BTK_Q06187_565_lig_smina_out.mol2", "protac_path": "5997_protac.mol2", "smiles": "CC1=C(CC(=O)N2CC(O)(CC(C)(C)C)C2)C=C(F)C=C1C1=NC=NC2=C1C=C(C1=CN(CC(=O)N3CCC4(CCN(CCNC(=O)CCCC(=O)N5CCN(C6=CC=C7C(NCCN)=NC(C8(C9=CC=C(Cl)C=C9)CCCCC8)=NC7=C6)CC5)CO4)CC3)N=C1)[NH]2", "label": -1}, "9252": {"pro_comp_id": 5998, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "KLHDC2_Q9Y2U9.pdb", "e3_lig_path": "KLHDC2_Q9Y2U9_107_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "5998_protac.mol2", "smiles": "CCC(C)C1=CC2=C(CN(C(=O)OCCC3CCN(CC4CCN(C(=O)C[C@@H]5N=C(C6=CC=C(Cl)C=C6)C6=C(SC(C)=C6C)N6C(C)=NN=C56)CC4)CC3)CC2)N(C2=CN(CC(=O)O)C(=O)C=C2)C1=O", "label": -1}, "9253": {"pro_comp_id": 5999, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "KLHDC2_Q9Y2U9.pdb", "e3_lig_path": "KLHDC2_Q9Y2U9_107_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "5999_protac.mol2", "smiles": "CCC(C)C1=CC2=C(CN(C(=O)OCCC3CCN(CC4CCN(C(=O)C[C@@H]5N=C(C6=CC=C(Cl)C=C6)C6=C(SC(C)=C6C)N6C(C)=NN=C56)CC4)CC3)CC2)N(C2=CN(CC(=O)OC)C(=O)C=C2)C1=O", "label": -1}, "9254": {"pro_comp_id": 6000, "tar_path": "BRD4_O60885.pdb", "e3_ligase_path": "KLHDC2_Q9Y2U9.pdb", "e3_lig_path": "KLHDC2_Q9Y2U9_107_lig_smina_out.mol2", "war_path": "BRD4_O60885_18_lig_smina_out.mol2", "protac_path": "6000_protac.mol2", "smiles": "COC(=O)CN1C=C(N2C3=C(C=C(CC(C)C)C2=O)CCN(C(=O)C2=CC=C(C4=CC=C(NC(=O)C[C@@H]5N=C(C6=CC=C(Cl)C=C6)C6=C(SC(C)=C6C)N6C(C)=NN=C56)C=C4)C=C2)C3)C=CC1=O", "label": -1}, "9255": {"pro_comp_id": 6001, "tar_path": "PI3Kalpha_P42336.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PI3Kalpha_P42336_566_lig_smina_out.mol2", "protac_path": "6001_protac.mol2", "smiles": "NC1=NC=C(C2=NC(N3CCOCC3)=NC(N3CCN(C(=O)CCC(=O)NCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)=N2)C(C(F)F)=N1", "label": -1}, "9256": {"pro_comp_id": 6002, "tar_path": "PI3Kalpha_P42336.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PI3Kalpha_P42336_566_lig_smina_out.mol2", "protac_path": "6002_protac.mol2", "smiles": "NC1=NC=C(C2=NC(N3CCOCC3)=NC(N3CCN(C(=O)CCC(=O)NCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)=N2)C(C(F)F)=N1", "label": -1}, "9257": {"pro_comp_id": 6003, "tar_path": "PI3Kalpha_P42336.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PI3Kalpha_P42336_566_lig_smina_out.mol2", "protac_path": "6003_protac.mol2", "smiles": "NC1=NC=C(C2=NC(N3CCOCC3)=NC(N3CCN(C(=O)CCC(=O)NCCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)=N2)C(C(F)F)=N1", "label": -1}, "9258": {"pro_comp_id": 6004, "tar_path": "PI3Kalpha_P42336.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PI3Kalpha_P42336_566_lig_smina_out.mol2", "protac_path": "6004_protac.mol2", "smiles": "NC1=NC=C(C2=NC(N3CCOCC3)=NC(N3CCN(C(=O)CCC(=O)NCCCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)=N2)C(C(F)F)=N1", "label": -1}, "9259": {"pro_comp_id": 6005, "tar_path": "PI3Kalpha_P42336.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PI3Kalpha_P42336_566_lig_smina_out.mol2", "protac_path": "6005_protac.mol2", "smiles": "NC1=NC=C(C2=NC(N3CCOCC3)=NC(N3CCN(C(=O)CCC(=O)NCCCCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)=N2)C(C(F)F)=N1", "label": -1}, "9260": {"pro_comp_id": 6006, "tar_path": "PI3Kalpha_P42336.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PI3Kalpha_P42336_566_lig_smina_out.mol2", "protac_path": "6006_protac.mol2", "smiles": "NC1=NC=C(C2=NC(N3CCOCC3)=NC(N3CCN(C(=O)CCC(=O)NCCCCCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)=N2)C(C(F)F)=N1", "label": -1}, "9261": {"pro_comp_id": 6007, "tar_path": "PI3Kalpha_P42336.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PI3Kalpha_P42336_566_lig_smina_out.mol2", "protac_path": "6007_protac.mol2", "smiles": "NC1=NC=C(C2=NC(N3CCOCC3)=NC(N3CCN(C(=O)CCC(=O)NCCCCCCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)=N2)C(C(F)F)=N1", "label": -1}, "9262": {"pro_comp_id": 6008, "tar_path": "PI3Kalpha_P42336.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PI3Kalpha_P42336_566_lig_smina_out.mol2", "protac_path": "6008_protac.mol2", "smiles": "NC1=NC=C(C2=NC(N3CCOCC3)=NC(N3CCN(C(=O)CCC(=O)N4CCN(CCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)=N2)C(C(F)F)=N1", "label": -1}, "9263": {"pro_comp_id": 6008, "tar_path": "PI3Kbeta_P42338.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PI3Kbeta_P42338_566_lig_smina_out.mol2", "protac_path": "6008_protac.mol2", "smiles": "NC1=NC=C(C2=NC(N3CCOCC3)=NC(N3CCN(C(=O)CCC(=O)N4CCN(CCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)=N2)C(C(F)F)=N1", "label": -1}, "9264": {"pro_comp_id": 6009, "tar_path": "PI3Kalpha_P42336.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "PI3Kalpha_P42336_566_lig_smina_out.mol2", "protac_path": "6009_protac.mol2", "smiles": "NC1=NC=C(C2=NC(N3CCOCC3)=NC(N3CCN(C(=O)CCC(=O)NCCOCCOCCOCC(=O)NC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)=N2)C(C(F)F)=N1", "label": -1}, "9265": {"pro_comp_id": 6010, "tar_path": "PI3Kalpha_P42336.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PI3Kalpha_P42336_566_lig_smina_out.mol2", "protac_path": "6010_protac.mol2", "smiles": "NC1=NC=C(C2=NC(N3CCOCC3)=NC(N3CCN(C(=O)CCC(=O)N4CCC(CC5CCN(C6=CC7=C(C=C6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)CC3)=N2)C(C(F)F)=N1", "label": -1}, "9266": {"pro_comp_id": 6011, "tar_path": "PI3Kalpha_P42336.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "PI3Kalpha_P42336_566_lig_smina_out.mol2", "protac_path": "6011_protac.mol2", "smiles": "NC1=NC=C(C2=NC(N3CCOCC3)=NC(N3CCN(C(=O)CCC(=O)NCCCCCCCCC#CC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)=N2)C(C(F)F)=N1", "label": -1}, "9267": {"pro_comp_id": 6012, "tar_path": "PI3Kalpha_P42336.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PI3Kalpha_P42336_566_lig_smina_out.mol2", "protac_path": "6012_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCCCCCCCCNC(=O)CCC(=O)N3CCN(C4=NC(C5=CN=C(N)N=C5C(F)F)=NC(N5CCOCC5)=N4)CC3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "9268": {"pro_comp_id": 6013, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_348_lig_smina_out.mol2", "protac_path": "6013_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOC3=CC(N4C5CCC4CN(C4=CC(C6=CC=CC=C6O)=NN=C4N)C5)=CC=N3)C(C)(C)C)C=C2)SC=N1", "label": -1}, "9270": {"pro_comp_id": 6014, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_348_lig_smina_out.mol2", "protac_path": "6014_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](C3=CC(OCCOCCOCCOC4=CC(N5C6CCC5CN(C5=CC(C7=CC=CC=C7O)=NN=C5N)C6)=CC=N4)=NO3)C(C)C)C=C2)SC=N1", "label": -1}, "9272": {"pro_comp_id": 6015, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_348_lig_smina_out.mol2", "protac_path": "6015_protac.mol2", "smiles": "CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](C3=CC(OCCN4CCN(CCOC5=CC(N6C7CCC6CN(C6=CC(C8=CC=CC=C8O)=NN=C6N)C7)=CC=N5)CC4)=NO3)C(C)C)C=C2)SC=N1", "label": -1}, "9274": {"pro_comp_id": 6016, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_348_lig_smina_out.mol2", "protac_path": "6016_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](C3=CC(OCCN4CCN(CCOC5=CC(N6C7CCC6CN(C6=CC(C8=CC=CC=C8O)=NN=C6N)C7)=CC=N5)CC4)=NO3)C(C)C)C=C2)SC=N1", "label": -1}, "9276": {"pro_comp_id": 6017, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_348_lig_smina_out.mol2", "protac_path": "6017_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](C3=CC(OCCN4CCN(CCOC5=CC(N6C7CCC6CN(C6=CC(C8=CC=CC=C8O)=NN=C6N)C7)=CC=N5)[C@H](C)C4)=NO3)C(C)C)C=C2)SC=N1", "label": -1}, "9278": {"pro_comp_id": 6018, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_348_lig_smina_out.mol2", "protac_path": "6018_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](C3=CC(OCCN4CCN(CCOC5=CC(N6C7CCC6CN(C6=CC(C8=CC=CC=C8O)=NN=C6N)C7)=CC=N5)C[C@@H]4C)=NO3)C(C)C)C=C2)SC=N1", "label": -1}, "9280": {"pro_comp_id": 6019, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_348_lig_smina_out.mol2", "protac_path": "6019_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](C3=CC(OCCN4CCC(O[C@H]5C[C@H](OC6=CC(N7C8CCC7CN(C7=CC(C9=CC=CC=C9O)=NN=C7N)C8)=CC=N6)C5)CC4)=NO3)C(C)C)C=C2)SC=N1", "label": -1}, "9282": {"pro_comp_id": 6020, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_348_lig_smina_out.mol2", "protac_path": "6020_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](C3=CC(N4CCN(CCN5CCC(O[C@H]6C[C@H](OC7=CC(N8C9CCC8CN(C8=CC(C%10=CC=CC=C%10O)=NN=C8N)C9)=CC=N7)C6)CC5)CC4)=NO3)C(C)C)C=C2)SC=N1", "label": -1}, "9284": {"pro_comp_id": 6021, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_348_lig_smina_out.mol2", "protac_path": "6021_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](C3=CC(N4CCN(CC5CCN(C[C@H]6C[C@H](OC7=CC(N8C9CCC8CN(C8=CC(C%10=CC=CC=C%10O)=NN=C8N)C9)=CC=N7)C6)CC5)CC4)=NO3)C(C)C)C=C2)SC=N1", "label": -1}, "9286": {"pro_comp_id": 6022, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_348_lig_smina_out.mol2", "protac_path": "6022_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](C3=CC(N4CCC(O[C@H]5C[C@H](OC6=CC(N7C8CCC7CN(C7=CC(C9=CC=CC=C9O)=NN=C7N)C8)=CC=N6)C5)CC4)=NO3)C(C)C)C=C2)SC=N1", "label": -1}, "9288": {"pro_comp_id": 6023, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_348_lig_smina_out.mol2", "protac_path": "6023_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](C3=CC(N4CCN(C[C@H]5C[C@H](OC6=CC(N7C8CCC7CN(C7=CC(C9=CC=CC=C9O)=NN=C7N)C8)=CC=N6)C5)CC4)=NO3)C(C)C)C=C2)SC=N1", "label": -1}, "9290": {"pro_comp_id": 6024, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_348_lig_smina_out.mol2", "protac_path": "6024_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](C3=CC(N4CCC(CN5CCC(OC6=CC(N7C8CCC7CN(C7=CC(C9=CC=CC=C9O)=NN=C7N)C8)=CC=N6)CC5)CC4)=NO3)C(C)C)C=C2)SC=N1", "label": -1}, "9292": {"pro_comp_id": 6025, "tar_path": "SMARCA2_P51531.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "SMARCA2_P51531_348_lig_smina_out.mol2", "protac_path": "6025_protac.mol2", "smiles": "CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](C3=CC(OCC#CC4=CC=C(O[C@H]5C[C@H](OC6=CC(N7C8CCC7CN(C7=CC(C9=CC=CC=C9O)=NN=C7N)C8)=CC=N6)C5)C=N4)=NO3)C(C)C)C=C2)SC=N1", "label": -1}, "9294": {"pro_comp_id": 6026, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_567_lig_smina_out.mol2", "protac_path": "6026_protac.mol2", "smiles": "COC1=C(CNC(=O)C2=C(C)N(CC3CCN(CCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C3=CC=CC=C23)C(=O)[NH]C(C)=C1", "label": -1}, "9295": {"pro_comp_id": 6027, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_567_lig_smina_out.mol2", "protac_path": "6027_protac.mol2", "smiles": "COC1=C(CNC(=O)C2=C(C)N(CC3CCN(CCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C3=CC=CC=C23)C(=O)[NH]C(C)=C1", "label": -1}, "9296": {"pro_comp_id": 6028, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_567_lig_smina_out.mol2", "protac_path": "6028_protac.mol2", "smiles": "COC1=C(CNC(=O)C2=C(C)N(CC3CCN(CCCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C3=CC=CC=C23)C(=O)[NH]C(C)=C1", "label": -1}, "9297": {"pro_comp_id": 6029, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_567_lig_smina_out.mol2", "protac_path": "6029_protac.mol2", "smiles": "COC1=C(CNC(=O)C2=C(C)N(CC3CCN(CCCCCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C3=CC=CC=C23)C(=O)[NH]C(C)=C1", "label": -1}, "9298": {"pro_comp_id": 6030, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_567_lig_smina_out.mol2", "protac_path": "6030_protac.mol2", "smiles": "COC1=C(CNC(=O)C2=C(C)N(CC3CCN(CCCCCCCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C3=CC=CC=C23)C(=O)[NH]C(C)=C1", "label": -1}, "9299": {"pro_comp_id": 6031, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_567_lig_smina_out.mol2", "protac_path": "6031_protac.mol2", "smiles": "COC1=C(CNC(=O)C2=C(C)N(CC3CCN(CCCC(=O)NCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C3=CC=CC=C23)C(=O)[NH]C(C)=C1", "label": -1}, "9300": {"pro_comp_id": 6032, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_567_lig_smina_out.mol2", "protac_path": "6032_protac.mol2", "smiles": "COC1=C(CNC(=O)C2=C(C)N(CC3CCN(CCCCCC(=O)NCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C3=CC=CC=C23)C(=O)[NH]C(C)=C1", "label": -1}, "9301": {"pro_comp_id": 6033, "tar_path": "EZH2_Q15910.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "EZH2_Q15910_567_lig_smina_out.mol2", "protac_path": "6033_protac.mol2", "smiles": "COC1=C(CNC(=O)C2=C(C)N(CC3CCN(CCCCCCCC(=O)NCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C3=CC=CC=C23)C(=O)[NH]C(C)=C1", "label": -1}, "9302": {"pro_comp_id": 6034, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "cIAP1_Q13490.pdb", "e3_lig_path": "cIAP1_Q13490_38_lig_smina_out.mol2", "war_path": "GPX4_P36969_440_lig_smina_out.mol2", "protac_path": "6034_protac.mol2", "smiles": "COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@@H](CC1=CC=CC=C1)NC(=O)CCCCCCCN1C=C(CNC(=O)C2=CC=C([C@H]3C4=C(C[C@H](C(=O)OC)N3C(=O)CCl)C3=CC=CC=C3[NH]4)C=C2)N=N1", "label": -1}, "9303": {"pro_comp_id": 6035, "tar_path": "APT1_O75608.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "APT1_O75608_568_lig_smina_out.mol2", "protac_path": "6035_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(N4CCN(C(=O)C5=CN(CC6=CC=C(S(=O)(=O)F)C=C6)N=N5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "9304": {"pro_comp_id": 6036, "tar_path": "APT1_O75608.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "APT1_O75608_568_lig_smina_out.mol2", "protac_path": "6036_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(N4CCN(C(=O)CC5=CN(CC6=CC=C(S(=O)(=O)F)C=C6)N=N5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "9305": {"pro_comp_id": 6037, "tar_path": "APT1_O75608.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "APT1_O75608_568_lig_smina_out.mol2", "protac_path": "6037_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(N4CCN(C(=O)CCC5=CN(CC6=CC=C(S(=O)(=O)F)C=C6)N=N5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "9306": {"pro_comp_id": 6038, "tar_path": "APT1_O75608.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "APT1_O75608_568_lig_smina_out.mol2", "protac_path": "6038_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(N4CCN(C(=O)CCCC5=CN(CC6=CC=C(S(=O)(=O)F)C=C6)N=N5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "9307": {"pro_comp_id": 6039, "tar_path": "APT1_O75608.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "APT1_O75608_568_lig_smina_out.mol2", "protac_path": "6039_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(N4CCN(C(=O)CCCCC5=CN(CC6=CC=C(S(=O)(=O)F)C=C6)N=N5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "9308": {"pro_comp_id": 6040, "tar_path": "APT1_O75608.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "APT1_O75608_568_lig_smina_out.mol2", "protac_path": "6040_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(N4CCN(C(=O)CCCCCC5=CN(CC6=CC=C(S(=O)(=O)F)C=C6)N=N5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "9309": {"pro_comp_id": 6041, "tar_path": "APT1_O75608.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "APT1_O75608_568_lig_smina_out.mol2", "protac_path": "6041_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(N4CCN(C(=O)CCCCCCC5=CN(CC6=CC=C(S(=O)(=O)F)C=C6)N=N5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "9310": {"pro_comp_id": 6042, "tar_path": "APT1_O75608.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "APT1_O75608_568_lig_smina_out.mol2", "protac_path": "6042_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(N4CCN(C(=O)CCCCCCCC5=CN(CC6=CC=C(S(=O)(=O)F)C=C6)N=N5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "9311": {"pro_comp_id": 6043, "tar_path": "APT1_O75608.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "APT1_O75608_568_lig_smina_out.mol2", "protac_path": "6043_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(N4CCN(C(=O)CCCCCCCCC5=CN(CC6=CC=C(S(=O)(=O)F)C=C6)N=N5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "9312": {"pro_comp_id": 6044, "tar_path": "APT1_O75608.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "APT1_O75608_568_lig_smina_out.mol2", "protac_path": "6044_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(N4CCN(C(=O)C5=CC=C(C6=CN(CC7=CC=C(S(=O)(=O)F)C=C7)N=N6)C=C5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "9313": {"pro_comp_id": 6045, "tar_path": "APT1_O75608.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "APT1_O75608_568_lig_smina_out.mol2", "protac_path": "6045_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(N4CCN(C(=O)C5=CC=CC(C6=CN(CC7=CC=C(S(=O)(=O)F)C=C7)N=N6)=C5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "9314": {"pro_comp_id": 6046, "tar_path": "APT1_O75608.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "APT1_O75608_568_lig_smina_out.mol2", "protac_path": "6046_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(N4CCN(C(=O)C5=CC=CC=C5C5=CN(CC6=CC=C(S(=O)(=O)F)C=C6)N=N5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "9315": {"pro_comp_id": 6047, "tar_path": "APT1_O75608.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "APT1_O75608_568_lig_smina_out.mol2", "protac_path": "6047_protac.mol2", "smiles": "NC(CC1=CN(CC2=CC=C(S(=O)(=O)F)C=C2)N=N1)C(=O)N1CCN(C2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "9316": {"pro_comp_id": 6048, "tar_path": "APT1_O75608.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "APT1_O75608_568_lig_smina_out.mol2", "protac_path": "6048_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(N4CCN(C(=O)CCNC(=O)C5=CC=C(C6=CN(CC7=CC=C(S(=O)(=O)F)C=C7)N=N6)C=C5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "9317": {"pro_comp_id": 6049, "tar_path": "APT1_O75608.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "APT1_O75608_568_lig_smina_out.mol2", "protac_path": "6049_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(N4CCN(C(=O)CCCCCNC(=O)C5=CC=C(C6=CN(CC7=CC=C(S(=O)(=O)F)C=C7)N=N6)C=C5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "9318": {"pro_comp_id": 6050, "tar_path": "APT1_O75608.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "APT1_O75608_568_lig_smina_out.mol2", "protac_path": "6050_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(N4CCN(CC5CCN(CC6=CC=C(S(=O)(=O)F)C=C6)CC5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "9319": {"pro_comp_id": 6051, "tar_path": "APT1_O75608.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "APT1_O75608_568_lig_smina_out.mol2", "protac_path": "6051_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(N4CCN(C(=O)CCCCC5=CN(CC(=O)N6CCN(C(=O)C7=CC=CO7)CC6)N=N5)CC4)=C3C2=O)C(=O)N1", "label": -1}, "9320": {"pro_comp_id": 6052, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "KRAS_G12D_P01116_569_lig_smina_out.mol2", "protac_path": "6052_protac.mol2", "smiles": "CCC1=CC=CC2=CC(O)=CC(C3=NC=C4C(N5C[C@@H]6CC[C@H](C5)N6)=NC(OC[C@@H]5CCCN5CCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)=NC4=C3F)=C12", "label": -1}, "9321": {"pro_comp_id": 6053, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "KRAS_G12D_P01116_569_lig_smina_out.mol2", "protac_path": "6053_protac.mol2", "smiles": "CCC1=CC=CC2=CC(O)=CC(C3=NC=C4C(N5C[C@@H]6CC[C@H](C5)N6)=NC(OC[C@@H]5CCCN5CCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)=NC4=C3F)=C12", "label": -1}, "9322": {"pro_comp_id": 6054, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "KRAS_G12D_P01116_569_lig_smina_out.mol2", "protac_path": "6054_protac.mol2", "smiles": "CCC1=CC=CC2=CC(O)=CC(C3=NC=C4C(N5C[C@@H]6CC[C@H](C5)N6)=NC(OC[C@@H]5CCCN5CCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)=NC4=C3F)=C12", "label": -1}, "9323": {"pro_comp_id": 6055, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "KRAS_G12D_P01116_569_lig_smina_out.mol2", "protac_path": "6055_protac.mol2", "smiles": "CCC1=CC=CC2=CC(O)=CC(C3=NC=C4C(N5C[C@@H]6CC[C@H](C5)N6)=NC(OC[C@@H]5CCCN5CCCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)=NC4=C3F)=C12", "label": -1}, "9324": {"pro_comp_id": 6056, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "KRAS_G12D_P01116_569_lig_smina_out.mol2", "protac_path": "6056_protac.mol2", "smiles": "CCC1=CC=CC2=CC(O)=CC(C3=NC=C4C(N5C[C@@H]6CC[C@H](C5)N6)=NC(OC[C@@H]5CCCN5CCCCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)=NC4=C3F)=C12", "label": -1}, "9325": {"pro_comp_id": 6057, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "KRAS_G12D_P01116_569_lig_smina_out.mol2", "protac_path": "6057_protac.mol2", "smiles": "CCC1=CC=CC2=CC(O)=CC(C3=NC=C4C(N5C[C@@H]6CC[C@H](C5)N6)=NC(OC[C@@H]5CCCN5CCOCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)=NC4=C3F)=C12", "label": -1}, "9326": {"pro_comp_id": 6058, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "KRAS_G12D_P01116_569_lig_smina_out.mol2", "protac_path": "6058_protac.mol2", "smiles": "CCC1=CC=CC2=CC(O)=CC(C3=NC=C4C(N5C[C@@H]6CC[C@H](C5)N6)=NC(OC[C@@H]5CCCN5CCCOCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)=NC4=C3F)=C12", "label": -1}, "9327": {"pro_comp_id": 6059, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "KRAS_G12D_P01116_569_lig_smina_out.mol2", "protac_path": "6059_protac.mol2", "smiles": "CCC1=CC=CC2=CC(O)=CC(C3=NC=C4C(N5C[C@@H]6CC[C@H](C5)N6)=NC(OC[C@@H]5CCCN5CCCCOCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)=NC4=C3F)=C12", "label": -1}, "9328": {"pro_comp_id": 6060, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "KRAS_G12D_P01116_569_lig_smina_out.mol2", "protac_path": "6060_protac.mol2", "smiles": "CCC1=CC=CC2=CC(O)=CC(C3=NC=C4C(N5C[C@@H]6CC[C@H](C5)N6)=NC(OC[C@@H]5CCCN5CCCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)=NC4=C3F)=C12", "label": -1}, "9329": {"pro_comp_id": 6061, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "KRAS_G12D_P01116_569_lig_smina_out.mol2", "protac_path": "6061_protac.mol2", "smiles": "CCC1=CC=CC2=CC(O)=CC(C3=NC=C4C(N5C[C@@H]6CC[C@H](C5)N6)=NC(OC[C@@H]5CCCN5CCC(=O)NCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)=NC4=C3F)=C12", "label": -1}, "9330": {"pro_comp_id": 6062, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "KRAS_G12D_P01116_569_lig_smina_out.mol2", "protac_path": "6062_protac.mol2", "smiles": "CCC1=CC=CC2=CC(O)=CC(C3=NC=C4C(N5C[C@@H]6CC[C@H](C5)N6)=NC(OC[C@@H]5CCCN5CC5CCN(CCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)=NC4=C3F)=C12", "label": -1}, "9331": {"pro_comp_id": 6063, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "KRAS_G12D_P01116_569_lig_smina_out.mol2", "protac_path": "6063_protac.mol2", "smiles": "CCC1=CC=CC2=CC(O)=CC(C3=NC=C4C(N5C[C@@H]6CC[C@H](C5)N6)=NC(OC[C@@H]5CCCN5C[C@H]5CC[C@H](C(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)=NC4=C3F)=C12", "label": -1}, "9332": {"pro_comp_id": 6064, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "KRAS_G12D_P01116_569_lig_smina_out.mol2", "protac_path": "6064_protac.mol2", "smiles": "CCC1=CC=CC2=CC(O)=CC(C3=NC=C4C(N5C[C@@H]6CC[C@H](C5)N6)=NC(OC[C@@H]5CCCN5C5CC6(CCN(CC(=O)N[C@H](C(=O)N7C[C@H](O)C[C@H]7C(=O)N[C@@H](C)C7=CC=C(C8=C(C)N=CS8)C=C7)C(C)(C)C)CC6)C5)=NC4=C3F)=C12", "label": -1}, "9333": {"pro_comp_id": 6065, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "KRAS_G12D_P01116_569_lig_smina_out.mol2", "protac_path": "6065_protac.mol2", "smiles": "CCC1=CC=CC2=CC(O)=CC(C3=NC=C4C(N5C[C@@H]6CC[C@H](C5)N6)=NC(OC[C@@H]5CCCN5C5CCC6(CC5)CCN(CC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C7=C(C)N=CS7)C=C5)C(C)(C)C)CC6)=NC4=C3F)=C12", "label": -1}, "9334": {"pro_comp_id": 6066, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "KRAS_G12D_P01116_569_lig_smina_out.mol2", "protac_path": "6066_protac.mol2", "smiles": "CCC1=C(F)C=CC2=CC(O)=CC(C3=NC=C4C(N5C[C@@H]6CC[C@H](C5)N6)=NC(OC[C@@H]5CCCN5CCCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)=NC4=C3F)=C12", "label": -1}, "9335": {"pro_comp_id": 6067, "tar_path": "KRAS_P01116.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_15_lig_smina_out.mol2", "war_path": "KRAS_G12D_P01116_569_lig_smina_out.mol2", "protac_path": "6067_protac.mol2", "smiles": "C#CC1=C(F)C=CC2=CC(O)=CC(C3=NC=C4C(N5C[C@@H]6CC[C@H](C5)N6)=NC(OC[C@@H]5CCCN5CCCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)=NC4=C3F)=C12", "label": -1}, "9337": {"pro_comp_id": 6069, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "6069_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)CCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "9338": {"pro_comp_id": 6070, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "6070_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)CCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "9339": {"pro_comp_id": 6071, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "6071_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)CCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "9340": {"pro_comp_id": 6072, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "6072_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)CCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "9341": {"pro_comp_id": 6073, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "6073_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)COCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "9342": {"pro_comp_id": 6074, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "6074_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)CCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "9343": {"pro_comp_id": 6075, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "6075_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)CCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "9344": {"pro_comp_id": 6076, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "6076_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)COCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "9345": {"pro_comp_id": 6077, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "6077_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)CCCCCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "9346": {"pro_comp_id": 6078, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "6078_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)CCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "9347": {"pro_comp_id": 6079, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "6079_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)CCCCCC#CC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "9348": {"pro_comp_id": 6080, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "6080_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)CCOCCC#CC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "9349": {"pro_comp_id": 6081, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "6081_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)CCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "9350": {"pro_comp_id": 6082, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "6082_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC=CC(C(F)F)=C3F)=C2C=C1OCC1(CN(C)C(=O)CCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "9351": {"pro_comp_id": 6083, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "6083_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)C(C)(C)O)=C3)=C2C=C1OCC1(CN(C)C(=O)CCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "9352": {"pro_comp_id": 6084, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "6084_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC=CC(C(F)(F)C(C)(C)O)=C3F)=C2C=C1OCC1(CN(C)C(=O)CCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "9353": {"pro_comp_id": 6085, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "6085_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC=CC(C#N)=C3C)=C2C=C1OCC1(CN(C)C(=O)CCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "9354": {"pro_comp_id": 6086, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "6086_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)CCCCCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CC1", "label": -1}, "9355": {"pro_comp_id": 6087, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_4_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "6087_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)CCCCCCNC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "9356": {"pro_comp_id": 6088, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_82_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "6088_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)CCCCCCNC2=C(F)C=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "9357": {"pro_comp_id": 6089, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_82_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "6089_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)CCCCCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2F)CC1", "label": -1}, "9358": {"pro_comp_id": 6090, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_82_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "6090_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)CCCCCCNC2=CC=C(F)C3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "9359": {"pro_comp_id": 6091, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "6091_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)CCCCCCNC2=NC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1", "label": -1}, "9360": {"pro_comp_id": 6092, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "6092_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)C2CCN(CCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1", "label": -1}, "9361": {"pro_comp_id": 6093, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "6093_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)C2CCN(C3CCC(NC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)CC1", "label": -1}, "9362": {"pro_comp_id": 6094, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "6094_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)CCCOC2CCC(NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1", "label": -1}, "9363": {"pro_comp_id": 6095, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "6095_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)CCCN(C)C2CCC(NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1", "label": -1}, "9364": {"pro_comp_id": 6096, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_2_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "6096_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)CCC(=O)N(C)C2CCC(NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1", "label": -1}, "9365": {"pro_comp_id": 6097, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "6097_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)CN2CCN(C3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)CC2)CC1", "label": -1}, "9366": {"pro_comp_id": 6098, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "6098_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)CN2CCN(C3CN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C3)CC2)CC1", "label": -1}, "9367": {"pro_comp_id": 6099, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "6099_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)CN2CCC(CN3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)CC2)CC1", "label": -1}, "9368": {"pro_comp_id": 6100, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "6100_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)CN2CCC(OC3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)CC2)CC1", "label": -1}, "9369": {"pro_comp_id": 6101, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "6101_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)C2CCC(N3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)CC2)CC1", "label": -1}, "9370": {"pro_comp_id": 6102, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "6102_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)C2CCN(C3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)CC2)CC1", "label": -1}, "9371": {"pro_comp_id": 6103, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "6103_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)C2CCN(C(=O)C3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)CC2)CC1", "label": -1}, "9372": {"pro_comp_id": 6104, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "6104_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)C2CCC(NC3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)CC2)CC1", "label": -1}, "9373": {"pro_comp_id": 6105, "tar_path": "SOS1_Q07889.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "SOS1_Q07889_491_lig_smina_out.mol2", "protac_path": "6105_protac.mol2", "smiles": "COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)C2CCC(OC3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)CC2)CC1", "label": -1}, "9374": {"pro_comp_id": 6106, "tar_path": "PIKfyve_Q9Y2I7.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PIKfyve_Q9Y2I7_394_lig_smina_out.mol2", "protac_path": "6106_protac.mol2", "smiles": "CC1=CC=CC(/C=N/NC2=CC(N3CCOCC3)=NC(OCCNC(=O)CC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=N2)=C1", "label": -1}, "9375": {"pro_comp_id": 6107, "tar_path": "PIKfyve_Q9Y2I7.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PIKfyve_Q9Y2I7_394_lig_smina_out.mol2", "protac_path": "6107_protac.mol2", "smiles": "CC1=CC=CC(/C=N/NC2=CC(N3CCOCC3)=NC(OCCNC(=O)CCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=N2)=C1", "label": -1}, "9376": {"pro_comp_id": 6108, "tar_path": "PIKfyve_Q9Y2I7.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PIKfyve_Q9Y2I7_394_lig_smina_out.mol2", "protac_path": "6108_protac.mol2", "smiles": "CC1=CC=CC(/C=N/NC2=CC(N3CCOCC3)=NC(OCCNC(=O)CCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=N2)=C1", "label": -1}, "9377": {"pro_comp_id": 6109, "tar_path": "PIKfyve_Q9Y2I7.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PIKfyve_Q9Y2I7_394_lig_smina_out.mol2", "protac_path": "6109_protac.mol2", "smiles": "CC1=CC=CC(/C=N/NC2=CC(N3CCOCC3)=NC(OCCC3=CC=C(NC(=O)CC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3)=N2)=C1", "label": -1}, "9378": {"pro_comp_id": 6110, "tar_path": "PIKfyve_Q9Y2I7.pdb", "e3_ligase_path": "VHL_P40337.pdb", "e3_lig_path": "VHL_P40337_12_lig_smina_out.mol2", "war_path": "PIKfyve_Q9Y2I7_394_lig_smina_out.mol2", "protac_path": "6110_protac.mol2", "smiles": "CC1=CC=CC(/C=N/NC2=CC(N3CCOCC3)=NC(OCCC3=CC=C(NC(=O)CCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3)=N2)=C1", "label": -1}, "9379": {"pro_comp_id": 6111, "tar_path": "GPX4_P36969.pdb", "e3_ligase_path": "CRBN_Q96SW2.pdb", "e3_lig_path": "CRBN_Q96SW2_3_lig_smina_out.mol2", "war_path": "GPX4_P36969_426_lig_smina_out.mol2", "protac_path": "6111_protac.mol2", "smiles": "O=C1CCC(N2C(=O)C3=CC=CC(OCC(=O)N4CCN(CC(=O)NC5=CC=C(N(C(=O)CCl)C(C(=O)NCCC6=CC=CC=C6)C6=CC=CS6)C=C5)CC4)=C3C2=O)C(=O)N1", "label": -1}}