HMDB0254792 RDKit 3D Propanamide, N-((1S,2S)-2-(3-cyanophenyl)-3-(4-(2-fluoroethoxy)phenyl)-1-meth... 68 70 0 0 0 0 0 0 0 0999 V2000 9.1843 -0.9144 -1.9433 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8561 -1.0560 -1.2525 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7535 -1.0072 0.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5220 -1.1399 0.7294 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3629 -1.3237 -0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1099 -1.4598 0.5931 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3621 -0.2792 0.8149 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1385 0.3663 -0.5452 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2005 0.6124 1.7013 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0346 -0.5617 1.3874 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7390 -1.7666 1.6020 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0779 0.4123 1.7099 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2136 0.1612 2.2649 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4411 0.7751 3.6074 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3412 0.5850 1.3517 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6640 0.2658 2.0551 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8347 0.6525 1.2311 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3407 1.9371 1.3633 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4199 2.3495 0.6327 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0305 1.4525 -0.2726 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0976 1.9704 -0.9529 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8965 1.3078 -1.8523 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6993 0.2226 -1.1883 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5421 0.7801 -0.2045 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.5333 0.1796 -0.4091 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4444 -0.2050 0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2469 -0.0019 0.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2201 0.8272 -1.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1284 0.3351 -2.3769 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0600 -1.0236 -2.5656 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0848 -1.8653 -1.4722 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0159 -3.2830 -1.6249 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9651 -4.4168 -1.7660 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1773 -1.3624 -0.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5139 -1.3647 -1.3450 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6935 -1.2395 -1.9686 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8985 -0.3252 -1.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6092 -1.9068 -2.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9992 -0.3582 -2.8826 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6482 -0.8652 0.6902 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4303 -1.1023 1.8249 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0698 0.6714 -0.6769 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3482 -0.3525 -1.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7283 1.2994 -0.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4700 0.0527 2.5972 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0873 0.9192 1.1217 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6486 1.5664 1.9447 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3313 1.4174 1.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2998 -0.9583 2.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4593 0.8157 4.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9253 1.7599 3.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1777 0.1367 4.1524 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3215 1.6921 1.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7457 0.7874 3.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6574 -0.8288 2.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8561 2.6007 2.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8215 3.3679 0.7371 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5613 2.0525 -2.3588 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2090 0.8631 -2.6371 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0963 -0.4994 -0.6576 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4169 -0.2412 -1.9133 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9525 -0.5195 -1.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0227 -1.2192 0.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2755 1.9027 -0.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1131 1.0427 -3.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9870 -1.4217 -3.5723 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1991 -1.9906 0.6814 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7588 -1.2804 -3.0619 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 7 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 20 25 1 0 25 26 2 0 15 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 3 0 31 34 2 0 5 35 1 0 35 36 2 0 36 2 1 0 26 17 1 0 34 27 1 0 1 37 1 0 1 38 1 0 1 39 1 0 3 40 1 0 4 41 1 0 8 42 1 0 8 43 1 0 8 44 1 0 9 45 1 0 9 46 1 0 9 47 1 0 12 48 1 0 13 49 1 0 14 50 1 0 14 51 1 0 14 52 1 0 15 53 1 0 16 54 1 0 16 55 1 0 18 56 1 0 19 57 1 0 22 58 1 0 22 59 1 0 23 60 1 0 23 61 1 0 25 62 1 0 26 63 1 0 28 64 1 0 29 65 1 0 30 66 1 0 34 67 1 0 36 68 1 0 M END