HMDB0060873 RDKit 3D Sorafenib N-oxide 49 51 0 0 0 0 0 0 0 0999 V2000 10.1070 0.4712 -0.5044 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7598 0.8576 -0.0048 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6847 0.0643 -0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9418 -0.9240 -1.2075 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2971 0.2720 -0.0566 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3318 -0.6152 -0.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9947 -0.5297 -0.2948 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0821 -1.4516 -0.8403 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7290 -1.3743 -0.5709 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 -2.0495 0.5144 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0924 -2.0381 0.8653 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9867 -1.2945 0.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3317 -1.3180 0.4577 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3600 -0.4341 -0.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0847 0.4381 -0.8527 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6895 -0.5774 0.4443 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7702 0.2232 0.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6911 1.4107 -0.6249 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8248 2.1248 -0.9905 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0667 1.6504 -0.6798 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4706 2.5712 -1.1533 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -8.1704 0.4614 -0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5178 -0.1081 0.3651 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1311 0.8208 1.1714 F 0 0 0 0 0 0 0 0 0 0 0 0 -10.2638 -0.2071 -0.7976 F 0 0 0 0 0 0 0 0 0 0 0 0 -9.3834 -1.3178 0.9865 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.0687 -0.2398 0.3557 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4822 -0.6104 -1.0224 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8672 -0.6438 -1.3521 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5813 0.4912 0.5322 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5217 1.3547 1.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8507 1.2485 0.7425 N 0 0 0 0 0 4 0 0 0 0 0 0 6.7194 2.1636 1.2898 O 0 0 0 0 0 1 0 0 0 0 0 0 10.4192 -0.3754 0.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7798 1.3445 -0.4652 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9651 0.1751 -1.5492 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7028 1.6841 0.6215 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6427 -1.4323 -1.2268 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8869 -2.6361 1.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4835 -2.5772 1.7305 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6359 -2.0529 1.1667 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8808 -1.3480 1.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7352 1.8212 -0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6899 3.0530 -1.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1429 -1.1879 0.8935 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1312 -0.0371 -1.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2359 -0.1026 -2.2115 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5291 0.6043 0.7815 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2335 2.1770 1.6890 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 3 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 23 26 1 0 22 27 2 0 12 28 1 0 28 29 2 0 7 30 2 0 30 31 1 0 31 32 2 0 32 33 1 0 32 5 1 0 29 9 1 0 27 17 1 0 1 34 1 0 1 35 1 0 1 36 1 0 2 37 1 0 6 38 1 0 10 39 1 0 11 40 1 0 13 41 1 0 16 42 1 0 18 43 1 0 19 44 1 0 27 45 1 0 28 46 1 0 29 47 1 0 30 48 1 0 31 49 1 0 M CHG 2 32 1 33 -1 M END