HMDB0041950 RDKit 3D Nitrobenzene 14 14 0 0 0 0 0 0 0 0999 V2000 2.9444 -1.0508 -0.4516 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3049 -0.0577 -0.0918 N 0 0 0 0 0 4 0 0 0 0 0 0 3.0550 1.0532 0.2649 O 0 0 0 0 0 1 0 0 0 0 0 0 0.8818 -0.0218 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1282 -1.1185 -0.3867 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2646 -1.1056 -0.3388 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9432 0.0236 0.0688 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1792 1.1166 0.4189 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2084 1.1075 0.3724 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6393 -2.0180 -0.7105 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8549 -1.9777 -0.6187 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0243 0.0681 0.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7029 2.0063 0.7397 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8069 1.9748 0.6505 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 4 1 0 5 10 1 0 6 11 1 0 7 12 1 0 8 13 1 0 9 14 1 0 M CHG 2 2 1 3 -1 M END