HMDB0060726 RDKit 3D 2,8-bis-Trifluoromethyl-4-quinoline carboxylic acid 26 27 0 0 0 0 0 0 0 0999 V2000 1.3994 -3.0516 -1.5130 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 -1.9047 -1.4725 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9895 -1.5767 -2.1239 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1588 -0.8261 -0.7249 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9307 0.1843 -0.1834 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4222 1.1897 0.5847 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2743 2.3270 1.1166 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9991 1.9018 2.1924 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0885 2.7577 0.0776 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4454 3.3431 1.4746 F 0 0 0 0 0 0 0 0 0 0 0 0 0.1024 1.1781 0.8133 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6815 0.2078 0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0472 0.2752 0.5013 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5729 1.3437 1.3877 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9438 1.2997 1.4105 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.1947 1.0322 2.7004 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 2.5626 1.0285 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.8865 -0.6670 -0.0845 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3804 -1.6686 -0.8643 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0043 -1.7711 -1.0803 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1837 -0.8352 -0.4929 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8760 -1.8745 -1.7154 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0095 0.1127 -0.3636 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9688 -0.5915 0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0345 -2.3995 -1.3608 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5849 -2.5490 -1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 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 6 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 1 0 14 17 1 0 13 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 4 1 0 21 12 1 0 3 22 1 0 5 23 1 0 18 24 1 0 19 25 1 0 20 26 1 0 M END