0 B17R2.44983 CC(C)C1=CC2=C(C=C1)C=C(C=C2)C(=O)O Z1508925446 [0,0,0,0,0,0|2,0,1]=3 1 B17R2.44983 O=C(O)C1=CC2=C(C=C1)C=C(C=C2)C(=O)O Z276653308 [0,0,0,0,0,0|0,0,0]=0 2 B16R2.7486 CCC1=CC2=C(C=C1)C=C(C=C2)C(=O)O Z1509003805 [1,0,0,0,0,0|1,0,1]=3 3 B16R2.7486 COC1=CC2=C(C=C1)C=C(C=C2)C(=O)C Z104477778 [1,0,0,0,0,0|3,0,0]=4 4 B16R2.7486 COC1=CC2=C(C=C1)C=C(C=C2)C(=O)O Z57981937 [1,0,0,0,0,0|2,0,0]=3 5 B16R2.7486 COC1=CC2=C(C=C1)C=C(C=N2)C(=O)O Z1508933323 [1,0,0,0,0,0|3,0,0]=4 6 B16R2.7486 N#CC1=CC2=C(C=C1)C=C(C=C2)C(=O)O Z1262511485 [1,0,0,0,0,0|1,0,1]=3 7 B18R2.96128 COC(=O)C1=CC2=C(C=C1)C=C(C=C2)C(=O)O Z3013891872 [0,1,0,0,0,0|0,0,0]=1 8 B18R2.96128 COC(=O)C1=CC2=C(C=C1)N=C(C=C2)C(=O)O Z4560462424 [0,1,0,0,0,0|1,0,0]=2 9 B16R2.502 O=C(O)C1=CNC2=C1C=CC(=C2)[N+](=O)[O-] Z147652444 [0,0,0,0,1,0|2,0,1]=4 10 B16R2.27395 CC(=O)C1=CC2=C(C=C1)C=C(N2)C(=O)O Z1508949438 [0,0,0,0,1,0|2,0,0]=3 11 B16R2.27395 O=C(O)C1=CC2=C(N1)C=CC(=C2)[N+](=O)[O-] Z596250850 [0,0,0,0,1,0|2,0,1]=4 12 B16R2.27395 O=C(O)C1=CC2=C(O1)C=CC(=C2)[N+](=O)[O-] Z424778036 [0,0,0,0,1,0|2,0,1]=4 13 B16R2.27395 O=C(O)C1=CC2=C(S1)C=CC(=C2)[N+](=O)[O-] Z56786616 [0,0,0,0,1,0|2,0,1]=4 14 B15R2.4780 COC1=CC2=C(C=C1)C=C(C=C2)C=O Z104489186 [2,0,0,0,0,0|2,0,0]=4 15 B15R2.7180 CC(=O)C1=CC2=C(C=C1)C=C(C=C2)O Z1198150765 [2,0,0,0,0,0|1,0,0]=3 16 B15R2.7180 CC1=CC2=C(C=C1)C=C(C=N2)C(=O)O Z1198224567 [2,0,0,0,0,0|1,0,1]=4 17 B15R2.7180 CC1=CC2=C(C=C1)N=C(C=C2)C(=O)O Z1255462212 [2,0,0,0,0,0|1,0,1]=4 18 B15R2.7180 CC1=NC2=C(C=C1)C=C(C=C2)C(=O)O Z1201620523 [2,0,0,0,0,0|1,0,1]=4 19 B15R2.7180 N=C(N)C1=CC2=C(C=C1)C=C(C=C2)O Z3234818581 [2,0,0,0,0,0|2,0,0]=4 20 B15R2.7180 NC1=NC2=C(C=C1)C=C(C=C2)C(=O)O Z3490682010 [2,0,0,0,0,0|2,0,0]=4 21 B15R2.7180 O=C(O)C1=CC2=C(C=C(C=C2)Br)N=C1 Z1269132375 [2,0,0,0,0,0|2,0,0]=4 22 B15R2.7180 O=C(O)C1=CC2=C(C=C(C=C2)O)N=C1 Z1255445848 [2,0,0,0,0,0|1,0,0]=3 23 B15R2.7180 O=C(O)C1=CC2=C(C=C1)C=C(C=C2)Br Z1251345401 [2,0,0,0,0,0|1,0,0]=3 24 B15R2.7180 O=C(O)C1=CC2=C(C=C1)C=C(C=C2)Cl Z1269195673 [2,0,0,0,0,0|1,0,0]=3 25 B15R2.7180 O=C(O)C1=CC2=C(C=C1)C=C(C=N2)I Z4966595160 [2,0,0,0,0,0|2,0,0]=4 26 B15R2.7180 O=C(O)C1=CC2=C(C=C1)N=C(C=C2)Cl Z316119998 [2,0,0,0,0,0|2,0,0]=4 27 B15R2.7180 O=C(O)C1=NC2=C(C=C1)C=C(C=C2)Br Z1269228844 [2,0,0,0,0,0|2,0,0]=4 28 B15R2.7180 O=C(O)C1=NC2=C(C=C1)C=C(C=C2)F Z1198233893 [2,0,0,0,0,0|2,0,0]=4 29 B15R2.7180 O=C(O)C1=NC2=C(C=C1)C=C(C=C2)I Z1269109496 [2,0,0,0,0,0|2,0,0]=4 30 B15R2.7180 O=C(O)C1=NC2=C(C=C1)C=C(C=C2)O Z1255400110 [2,0,0,0,0,0|1,0,0]=3 31 B15R2.7180 O=C(O)C1=NC=C2C=C(C=CC2=C1)F Z2313106654 [2,0,0,0,0,0|2,0,0]=4 32 B15R2.7180 OB(O)C1=CC2=C(C=C1)C=C(C=C2)O Z1201619060 [2,0,0,0,0,0|1,0,1]=4 33 B17R2.11734 COC(=O)C1=CC2=C(C=C1)N=C(C=C2)C=O Z4512120005 [1,1,0,0,0,0|1,0,0]=3 34 B17R2.8592 CC1=C(SC2=C1C=C(C=N2)C(=O)O)C(=O)O Z235354617 [0,1,0,0,1,0|2,0,0]=4 35 B17R2.58099 COC(=O)C1=CC2=C(N=C1)NC(=C2)C(=O)O Z2050083231 [0,1,0,0,1,0|2,0,0]=4 36 B17R2.58099 COC(=O)C1=CN2C=C(N=C2C=C1)C(=O)O Z2733123319 [0,1,0,0,1,0|2,0,0]=4 37 B17R2.58099 COC(=O)C1=NC2=C(C=C1)NC(=C2)C(=O)O Z5190531198 [0,1,0,0,1,0|2,0,0]=4 38 B19R2.155652 COC(=O)C1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)F Z3333543198 [0,2,0,0,0,0|1,0,1]=4 39 B19R2.155651 COC(=O)C1=CC2=C(C=C1)C=C(C=C2)C(=O)OC Z1262254179 [0,2,0,0,0,0|0,0,0]=2 40 B17R2.292287 O=C(O)C1=CC=CC2=C(C=CC=C12)C(=O)O Z1508917042 [0,0,1,1,0,0|0,0,0]=2 41 B15R2.2965 O=CC1=CNC2=C1C=CC(=C2)C(=O)O Z1201623570 [1,0,0,0,1,0|1,0,0]=3 42 B15R2.2965 O=CC1=CNC2=C1N=CC(=C2)C(=O)O Z1255384510 [1,0,0,0,1,0|2,0,0]=4 43 B15R2.2965 O=CC1=NNC2=C1C=CC(=C2)C(=O)O Z1255391958 [1,0,0,0,1,0|2,0,0]=4 44 B15R2.4834 NC(=O)C1=CC2=C(N1)C=CC(=C2)C=O Z1262685052 [1,0,0,0,1,0|2,0,0]=4 45 B15R2.4834 O=CC1=CC2=C(C=C1)C=C(N2)C(=O)O Z1262526516 [1,0,0,0,1,0|1,0,0]=3 46 B15R2.4834 O=CC1=CC2=C(C=C1)OC(=C2)C(=O)O Z1198322252 [1,0,0,0,1,0|1,0,0]=3 47 B15R2.16298 O=C(O)C1=CC2=C(S1)C=C(S2)C(=O)O Z1269232292 [0,0,0,0,2,0|2,0,0]=4 48 B17R2.11737 COC1=CC2=C(C=C1)C=C(C=C2)CC(=O)O Z1269762978 [1,0,0,0,0,1|2,0,0]=4 49 B17R2.60546 CC(=O)NC1=CC2=C(C=C1)OC(=C2)C(=O)O Z1508933244 [0,0,0,0,1,1|2,0,0]=4