HMDB0014012 RDKit 3D Omeprazole sulfone 44 46 0 0 0 0 0 0 0 0999 V2000 7.2256 1.7269 -1.1863 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3076 0.4929 -0.5289 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1895 -0.2174 -0.1205 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3826 -1.4205 0.5176 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3090 -2.1918 0.9575 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0229 -1.7359 0.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8083 -2.2221 1.0381 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 -1.3926 0.6198 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0985 -1.6076 0.7795 S 0 0 0 0 0 6 0 0 0 0 0 0 -0.2718 -1.8394 2.1998 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2606 -2.8199 -0.0308 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7514 -0.2251 0.0625 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2089 -0.4100 0.1988 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7283 -1.4906 0.7897 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0621 -1.6336 0.9005 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9640 -0.7031 0.4263 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4456 -0.8852 0.5618 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4446 0.4185 -0.1865 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3095 1.3760 -0.6759 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7579 2.4594 0.0982 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0617 0.5371 -0.2855 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5396 1.7453 -0.9446 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4659 -0.3438 0.0430 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7987 -0.5235 0.1047 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9015 0.2241 -0.3232 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1210 1.5608 -2.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2080 2.2454 -1.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4001 2.3240 -0.7413 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3952 -1.7954 0.6919 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4531 -3.1394 1.4602 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4601 -0.2043 -1.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3982 0.7387 0.4806 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4960 -2.5203 1.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8537 -0.3130 1.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9742 -0.5381 -0.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7148 -1.9380 0.7043 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8033 2.3466 0.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6975 3.4216 -0.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0867 2.6081 0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1677 2.6063 -0.5979 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5051 1.9962 -0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7017 1.6389 -2.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0171 0.4779 -0.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7223 1.1659 -0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 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 16 18 1 0 18 19 1 0 19 20 1 0 18 21 2 0 21 22 1 0 8 23 1 0 23 24 1 0 24 25 2 0 25 3 1 0 24 6 1 0 21 13 1 0 1 26 1 0 1 27 1 0 1 28 1 0 4 29 1 0 5 30 1 0 12 31 1 0 12 32 1 0 15 33 1 0 17 34 1 0 17 35 1 0 17 36 1 0 20 37 1 0 20 38 1 0 20 39 1 0 22 40 1 0 22 41 1 0 22 42 1 0 23 43 1 0 25 44 1 0 M END