User 7fc1506f44
17-07-2012 18:56:36
I wonder how to convert this Smiles: [H] \ C1 = C (C) / CCC = C (C) CC [C @ @] 2 ([H]) C (= C) C (= O) O [C @] 12 [H] to a smile isomeric without the information in this case sMILE: [H] C1 = C (C) CCC = C (C) CCC2 ([H]) (C (= C) C (= O ) OC12 ([H]))