Drug SMILES Target Doxorubicin CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)N)O P11388,Q14978 Etoposide CC1OCC2C(O1)C(C(C(O2)OC3C4COC(=O)C4C(C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O P11388,O14733,Q02880 Blebbistatin CC1=CC2=C(C=C1)N=C3C(C2=O)(CCN3C4=CC=CC=C4)O Q7Z406 Cycloheximide CC1CC(C(=O)C(C1)C(CC2CC(=O)NC(=O)C2)O)C Q8WTX7,A6NHX0 Camptothecin CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O P11387 H-7 CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)C(NC6=O)O)NC)OC O15530,O14757,P27448 Monastrol CCOC(=O)C1=C(NC(=S)NC1C2=CC(=CC=C2)O)C P52732 Aclacinomycin A CCC1(CC(C2=C(C1C(=O)OC)C=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)O)N(C)C)O P11388,P11387