HMDB0015419 RDKit 3D Polythiazide 38 39 0 0 0 0 0 0 0 0999 V2000 -0.5482 -2.4108 -1.6861 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1312 -1.0756 -1.8565 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5939 -0.6878 -0.5128 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9830 -1.2399 -0.2898 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5642 -0.7762 1.3435 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.8146 0.9975 1.5139 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9358 1.5182 0.6491 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6742 1.2719 -0.6683 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.1346 0.8693 0.9775 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.0475 2.8758 0.8805 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6604 -1.1209 0.4867 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6738 -0.5879 0.4231 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4885 -0.5972 1.5487 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7711 -0.0954 1.5208 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7962 -0.1046 2.9282 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.2655 0.4347 0.3366 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8811 1.0674 0.2975 S 0 0 0 0 0 6 0 0 0 0 0 0 5.2188 1.6567 -1.3048 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9749 2.2318 1.2474 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9007 0.0199 0.6263 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4627 0.4479 -0.7872 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2057 -0.0538 -0.7253 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2179 -0.0149 -2.1846 S 0 0 0 0 0 6 0 0 0 0 0 0 -0.2694 1.3932 -2.3324 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9808 -0.4453 -3.3768 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6692 -2.9683 -2.6315 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5205 -2.3367 -1.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0509 -2.9662 -0.8726 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6001 0.4214 -0.5154 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0235 -2.3101 -0.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6358 -0.7346 -1.0595 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9566 1.3228 2.5456 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8783 1.4920 1.1256 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8466 -1.7796 1.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0783 -1.0163 2.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1670 2.0391 -1.3953 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5035 2.3823 -1.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9109 0.8801 -1.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 7 10 1 0 3 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 2 0 16 17 1 0 17 18 1 0 17 19 2 0 17 20 2 0 16 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 23 25 2 0 23 2 1 0 22 12 1 0 1 26 1 0 1 27 1 0 1 28 1 0 3 29 1 0 4 30 1 0 4 31 1 0 6 32 1 0 6 33 1 0 11 34 1 0 13 35 1 0 18 36 1 0 18 37 1 0 21 38 1 0 M END