[64be90]: / data / kiba / ligands_can.txt

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{"CHEMBL1087421": "COC1=C(C=C2C(=C1)CCN=C2C3=CC(=C(C=C3)Cl)Cl)Cl", "CHEMBL1088633": "COC1=C(C=C2C(=C1)CCN=C2C3=CC(=CC=C3)Cl)Cl", "CHEMBL1090360": "C1COCCN1C2=CC(=CC=C2)NC3=NC=CC(=N3)C4=C(N=C5N4C=CS5)C6=CC(=CC=C6)NC(=O)CC7=CC=CC=C7", "CHEMBL1688215": "C1=CC2=C(C=C1C3=NC(=NC=C3)N)NN=C2N", "CHEMBL1765781": "CNC1=NC(=CN=C1)C2=CNC(=O)C(=C2)NC(=O)C3=CC=C(C=C3)N4CCCC4CN5CCCC5", "CHEMBL1788116": "C1=CC=C2C(=C1)NC(=C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4)S2.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O", "CHEMBL1929238": "CC(C)(C)C1=CC(=C(S1)NC(=O)NC2=C(C(=CC=C2)Cl)Cl)C(=O)N3CCC(=O)N(CC3)CCN(C)C", "CHEMBL1933552": "CC1CCC(CN1)N2CCC3(C2)CN(C4=CC=CC=C34)C(=O)C5=CC6=C(N5)C=C(C=C6)F", "CHEMBL202930": "COC1=C(C=CC(=C1)C2=CC3=C(C=C2)C(=CC4=CC=CN4)C(=O)N3)O", "CHEMBL204420": "CN1CCN(C(C1)C(=O)N)CC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC", "CHEMBL206783": "COC1=C(C=C2C(=C1)N=CN=C2NC3=C(C(=CC=C3)Cl)F)CN4CCCCC4C(=O)N", "CHEMBL206955": "COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)CN4CCCC4C(=O)N", "CHEMBL207037": 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