HMDB0304887 RDKit 3D Encorafenib 63 65 0 0 0 0 0 0 0 0999 V2000 1.6193 4.4664 0.4033 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8259 3.7190 0.4113 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0694 2.8385 -0.6385 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2093 2.7542 -1.5323 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2587 2.0649 -0.6825 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5001 1.1457 -1.7901 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7485 1.6499 -2.4938 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7915 -0.2448 -1.2346 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7108 -0.7663 -0.4594 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4052 -1.0201 -0.9812 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0687 -0.7914 -2.2554 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8355 -1.0397 -2.7426 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1488 -1.5553 -1.9104 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1847 -1.7936 -0.6024 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -2.3376 0.2934 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7329 -3.5545 0.9609 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8265 -3.7375 1.7174 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0963 -4.9050 2.5707 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6021 -6.0291 1.7194 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9062 -5.3195 3.3623 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5870 -2.6906 1.5461 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0218 -1.7980 0.6811 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6201 -0.5394 0.2544 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9567 -0.5223 -0.1326 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5795 0.6351 -0.5542 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2605 0.6642 -1.0424 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.8176 1.8144 -0.5841 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4941 1.8310 -0.2086 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7615 3.0519 -0.2845 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4728 4.5936 -0.1562 S 0 0 0 0 0 6 0 0 0 0 0 0 -3.2288 4.7513 1.4411 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3645 5.6368 -0.2258 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4851 4.8715 -1.2356 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9125 0.6324 0.2107 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6220 0.6753 0.5700 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4326 -1.5210 -0.1908 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1888 4.5345 -0.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8583 5.5020 0.6892 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 4.0877 1.1405 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9754 2.1470 0.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6891 1.1393 -2.5161 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6307 1.0726 -2.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6805 1.4732 -3.5955 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9586 2.7042 -2.2307 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0074 -0.9607 -2.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7142 -0.1201 -0.6255 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8755 -0.9771 0.5433 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5833 -0.8508 -3.7687 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1239 -1.7397 -2.3409 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1149 -4.2084 0.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9180 -4.6151 3.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4287 -7.0312 2.2057 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6600 -5.9237 1.4419 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9920 -6.0542 0.7853 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5526 -6.3074 2.9628 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0388 -4.6485 3.3278 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1781 -5.4813 4.4257 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4917 -1.4410 -0.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2924 2.7276 -0.9113 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7061 3.0051 -0.4352 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6306 5.4384 2.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2774 5.1323 1.3388 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2034 3.7649 1.9434 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 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 17 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 25 27 2 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 2 0 30 33 2 0 28 34 2 0 34 35 1 0 14 36 2 0 36 10 1 0 22 15 1 0 34 23 1 0 1 37 1 0 1 38 1 0 1 39 1 0 5 40 1 0 6 41 1 6 7 42 1 0 7 43 1 0 7 44 1 0 8 45 1 0 8 46 1 0 9 47 1 0 12 48 1 0 13 49 1 0 16 50 1 0 18 51 1 0 19 52 1 0 19 53 1 0 19 54 1 0 20 55 1 0 20 56 1 0 20 57 1 0 24 58 1 0 27 59 1 0 29 60 1 0 31 61 1 0 31 62 1 0 31 63 1 0 M END