HMDB0253462 RDKit 3D Indisulam 36 38 0 0 0 0 0 0 0 0999 V2000 5.0047 1.6196 -3.1239 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9457 0.3140 -2.7571 S 0 0 0 0 0 6 0 0 0 0 0 0 3.2178 -0.1207 -4.0032 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7512 -0.8449 -2.2304 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7756 0.7945 -1.5518 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0643 0.6215 -0.2139 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1831 0.9803 0.7827 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9408 1.5434 0.4682 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1183 1.9790 1.7974 S 0 0 0 0 0 6 0 0 0 0 0 0 -1.0051 3.1304 1.4032 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7185 2.4140 2.9649 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0139 0.5959 2.2358 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9242 -0.0969 1.3805 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4980 0.4956 0.2781 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3844 -0.1665 -0.5448 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7397 -1.4712 -0.2942 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1730 -2.0764 0.8062 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3311 -3.3649 1.3137 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3513 -4.6442 0.6560 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.5237 -3.4332 2.4381 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8990 -2.2462 2.6153 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2804 -1.4088 1.6342 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6487 1.7175 -0.8506 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5518 1.3491 -1.8546 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4632 2.5170 -3.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 1.4575 -4.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0344 0.1816 0.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4423 0.8303 1.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8829 0.2201 3.2267 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2257 1.5217 0.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8132 0.3311 -1.3994 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4323 -2.0241 -0.9173 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4162 -4.3026 3.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2381 -2.0548 3.3979 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2898 2.1486 -1.1171 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3067 1.4929 -2.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 2 0 2 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 11 2 0 9 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 2 0 20 21 1 0 21 22 1 0 8 23 1 0 23 24 2 0 24 5 1 0 22 13 1 0 22 17 2 0 1 25 1 0 1 26 1 0 6 27 1 0 7 28 1 0 12 29 1 0 14 30 1 0 15 31 1 0 16 32 1 0 20 33 1 0 21 34 1 0 23 35 1 0 24 36 1 0 M END