HMDB0242229 RDKit 3D ((2R,5R)-2-Benzyl-5-(prop-2-yn-1-yloxy)piperidin-1-yl)(4-(bis(4-fluorophenyl)... 68 72 0 0 0 0 0 0 0 0999 V2000 -1.4650 4.8937 -0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5742 4.4812 0.2633 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9223 3.9728 0.5677 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9658 2.5848 0.4548 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6271 2.1924 -0.8595 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8355 1.5560 -1.4639 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5531 0.2923 -2.2192 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8429 -0.6788 -1.3141 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5898 -0.9392 -0.0521 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8454 -1.9068 0.8097 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9359 -1.4299 1.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2508 -2.3377 2.5342 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4808 -3.6848 2.3914 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3946 -4.1231 1.4547 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1035 -3.2557 0.6372 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5614 -0.0570 -1.0007 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4280 -0.8972 -0.9168 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5822 -2.1341 -1.1173 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1550 -0.3381 -0.6127 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2137 0.8847 -0.3754 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5338 0.9497 -0.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0265 -0.3330 -0.2271 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4488 -0.7986 -0.0469 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3715 -2.2199 0.0574 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0132 -0.3650 1.2495 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3966 -0.7753 2.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8775 -0.4075 3.6696 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9901 0.3836 3.8071 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4900 0.7642 5.0043 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6138 0.7998 2.6557 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1264 0.4266 1.3956 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2857 -0.5246 -1.2161 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8762 -1.5614 -1.9539 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6588 -1.3710 -3.0538 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8757 -0.0672 -3.4566 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6451 0.1780 -4.5427 F 0 0 0 0 0 0 0 0 0 0 0 0 5.3044 0.9725 -2.7457 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5147 0.7695 -1.6348 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9597 -1.0903 -0.5219 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4124 1.3452 -0.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4865 5.2463 -0.2584 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6834 4.3979 -0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1713 4.2151 1.6212 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4115 3.1245 -1.4656 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3406 2.2848 -2.1441 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5920 1.3581 -0.6615 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9326 0.5126 -3.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5008 -0.1307 -2.5781 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6710 -1.6184 -1.8561 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7661 -0.0327 0.5592 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5818 -1.3877 -0.2743 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7419 -0.3781 1.8657 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5257 -2.0168 3.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9683 -4.4237 2.9907 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5762 -5.1821 1.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8177 -3.6029 -0.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0501 1.8483 0.0878 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2624 -2.4863 0.3891 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5285 -1.3921 2.3552 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3758 -0.7426 4.5868 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4819 1.4163 2.7293 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6382 0.7666 0.5129 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7103 -2.5980 -1.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0967 -2.2028 -3.5959 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4644 2.0196 -3.0494 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0843 1.6313 -1.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6540 1.7645 -1.4941 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9676 1.4582 0.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 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 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 2 0 8 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 28 30 1 0 30 31 2 0 23 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 35 36 1 0 35 37 1 0 37 38 2 0 22 39 2 0 16 40 1 0 40 5 1 0 15 10 1 0 39 19 1 0 31 25 1 0 38 32 1 0 1 41 1 0 3 42 1 0 3 43 1 0 5 44 1 0 6 45 1 0 6 46 1 0 7 47 1 0 7 48 1 0 8 49 1 0 9 50 1 0 9 51 1 0 11 52 1 0 12 53 1 0 13 54 1 0 14 55 1 0 15 56 1 0 21 57 1 0 24 58 1 0 26 59 1 0 27 60 1 0 30 61 1 0 31 62 1 0 33 63 1 0 34 64 1 0 37 65 1 0 38 66 1 0 40 67 1 0 40 68 1 0 M END