0 B15R2.2195 C1=CC(\C=C\C2=CC=NC=C2)=CC=N1 25542 [0,0,0,0,0,0|4,0,0]=4 1 B15R2.2195 C1=CC=C(CCC2=CC=CC=C2)C=C1 7518 [0,0,0,0,0,0|2,0,0]=2 2 B15R2.2195 C1=CC=C(CNC2=CC=CC=C2)C=C1 35030 [0,0,0,0,0,0|2,0,0]=2 3 B15R2.2195 C1=CC=C(CNC2=CC=NC=C2)C=C1 19071 [0,0,0,0,0,0|3,0,0]=3 4 B15R2.2195 C1=CC=C(CSC2=CC=CC=C2)C=C1 13528 [0,0,0,0,0,0|1,0,0]=1 5 B15R2.2195 C1=CC=C(NNC2=CC=CC=C2)C=C1 16518 [0,0,0,0,0,0|2,0,0]=2 6 B15R2.2195 C1=CC=C(SSC2=CC=CC=C2)C=C1 9112 [0,0,0,0,0,0|0,0,0]=0 7 B15R2.2195 C1=CC=C(\C=C\C2=CC=CC=C2)C=C1 29335 [0,0,0,0,0,0|2,0,0]=2 8 B15R2.2195 C1=CN=C(SSC2=NC=CC=C2)C=C1 12536 [0,0,0,0,0,0|2,0,0]=2 9 B16R2.71 BrC1=C(OCC2=CC=CC=C2)C=CC=C1 3064 [0,1,0,0,0,0|1,1,0]=3 10 B16R2.71 NC1=C(OCC2=CC=CC=C2)C=CC=C1 26298 [0,1,0,0,0,0|1,1,0]=3 11 B16R2.71 NC1=NC=CC=C1OCC2=CC=CC=C2 2575 [0,1,0,0,0,0|2,1,0]=4 12 B16R2.71 OC1=C(OCC2=CC=CC=C2)C=CC=C1 19138 [0,1,0,0,0,0|1,1,0]=3 13 B16R2.88 O=C(NC1=CC=CC=C1)C2=CC=NC=C2 14020 [0,1,0,0,0,0|3,0,0]=4 14 B16R2.88 O=C(OC1=CC=CC=C1)C2=CC=CC=C2 26427 [0,1,0,0,0,0|1,1,0]=3 15 B16R2.132 BrC1=CC=C(OCC2=CC=CC=C2)C=C1 13186 [0,1,0,0,0,0|1,1,0]=3 16 B16R2.132 BrC1=CN=C(OCC2=CC=CC=C2)C=C1 22134 [0,1,0,0,0,0|2,1,0]=4 17 B16R2.132 NC1=CC=C(C#CC2=CC=CC=C2)C=C1 32350 [0,1,0,0,0,0|2,0,0]=3 18 B16R2.132 NC1=CC=C(OCC2=CC=CC=C2)C=C1 21343 [0,1,0,0,0,0|1,1,0]=3 19 B16R2.132 OC1=CC=C(OCC2=CC=CC=C2)C=C1 10471 [0,1,0,0,0,0|1,1,0]=3 20 B16R2.132 [O-][n+]1ccc(OCc2ccccc2)cc1 2123 [0,1,0,0,0,0|2,1,0]=4 21 B16R2.252 BrC1=CC=CC(OCC2=CC=CC=C2)=C1 3065 [0,1,0,0,0,0|1,1,0]=3 22 B16R2.252 BrC1=CC=CC(OCC2=CC=CC=C2)=N1 4062 [0,1,0,0,0,0|2,1,0]=4 23 B16R2.252 CC1=CC(NCC2=CC=CC=C2)=NC=C1 5759 [0,1,0,0,0,0|3,0,0]=4 24 B16R2.252 CC1=CC=CC(OCC2=CC=CC=C2)=C1 36139 [0,1,0,0,0,0|1,1,0]=3 25 B16R2.252 CC1=NC(C#CC2=CC=CC=C2)=CC=C1 25629 [0,1,0,0,0,0|3,0,0]=4 26 B16R2.252 CC1=NC(\C=C\C2=CC=CC=C2)=CC=C1 25632 [0,1,0,0,0,0|3,0,0]=4 27 B16R2.252 FC1=CC=CC(OCC2=CC=CC=C2)=C1 27424 [0,1,0,0,0,0|1,1,0]=3 28 B16R2.252 IC1=CC=CC(OCC2=CC=CC=C2)=C1 3066 [0,1,0,0,0,0|1,1,0]=3 29 B16R2.252 NC1=CC(OCC2=CC=CC=C2)=CC=C1 31938 [0,1,0,0,0,0|1,1,0]=3 30 B16R2.252 OC1=CC(OCC2=CC=CC=C2)=CC=C1 27115 [0,1,0,0,0,0|1,1,0]=3 31 B16R3.9 C1=CC=C2C(=C1)C=CC3=C2N=CC=C3 25753 [0,0,0,1,0,0|3,0,0]=4 32 B14R2.6 C1=CC=C(NC2=NC=CC=N2)C=C1 23552 [0,0,0,0,1,0|3,0,0]=4 33 B14R2.6 C1=CC=C(OC2=CC=CC=C2)C=C1 9111 [0,0,0,0,1,0|0,1,0]=2 34 B14R2.6 C1=CC=C(SC2=CC=CC=C2)C=C1 10681 [0,0,0,0,1,0|0,0,0]=1 35 B14R2.6 C1=CC=C([I+]C2=CC=CC=C2)C=C1 35589 [0,0,0,0,1,0|1,0,0]=2 36 B14R2.6 C1=CC=C([I+]C2=CC=CC=C2)C=C1 35742 [0,0,0,0,1,0|1,0,0]=2 37 B16R2.2256 C1=CC=C(CNCC2=CC=CC=C2)C=C1 7523 [0,0,0,0,0,1|2,0,0]=3 38 B16R2.2256 C1=CC=C(CSCC2=CC=CC=C2)C=C1 10847 [0,0,0,0,0,1|1,0,0]=2 39 B15R2.29 BrC1=CC=C(OC2=CC=CC=C2)C=C1 1903 [0,1,0,0,1,0|0,1,0]=3 40 B15R2.29 BrC1=CN=C(OC2=CC=CC=C2)C=C1 22136 [0,1,0,0,1,0|1,1,0]=4 41 B15R2.29 Brc1ccc(Sc2ccccc2)cc1 10536 [0,1,0,0,1,0|0,0,0]=2 42 B15R2.29 CC1=CC=C(SC2=CC=CC=C2)C=C1 8649 [0,1,0,0,1,0|0,0,0]=2 43 B15R2.29 CC1=CC=[N+](CC2=CC=CC=C2)C=C1 12366 [0,1,0,0,1,0|2,0,0]=4 44 B15R2.29 ClC1=CC=C(CC2=NC=CC=C2)C=C1 20810 [0,1,0,0,1,0|2,0,0]=4 45 B15R2.29 Clc1ccc(Oc2ccccc2)cc1 1900 [0,1,0,0,1,0|0,1,0]=3 46 B15R2.29 Clc1ccc(Sc2ccccc2)cc1 10533 [0,1,0,0,1,0|0,0,0]=2 47 B15R2.29 FC1=CC=C(OC2=CC=CC=C2)C=C1 1899 [0,1,0,0,1,0|0,1,0]=3 48 B15R2.29 Fc1ccc(Sc2ccccc2)cc1 10554 [0,1,0,0,1,0|0,0,0]=2 49 B15R2.29 NC1=CC=C(CC2=CC=CC=C2)C=C1 18531 [0,1,0,0,1,0|1,0,0]=3 50 B15R2.29 NC1=CC=C(OC2=CC=CC=C2)C=C1 31022 [0,1,0,0,1,0|0,1,0]=3 51 B15R2.29 NC1=CC=C(OC2=CC=NC=C2)C=C1 19365 [0,1,0,0,1,0|1,1,0]=4 52 B15R2.29 OC1=CC=C(OC2=CC=CC=C2)C=C1 22528 [0,1,0,0,1,0|0,1,0]=3 53 B15R2.31 BrC1=CC(OC2=CC=CC=C2)=CN=C1 20209 [0,1,0,0,1,0|1,1,0]=4 54 B15R2.31 Brc1cccc(Oc2ccccc2)c1 31139 [0,1,0,0,1,0|0,1,0]=3 55 B15R2.31 CC1=CC(OC2=CC=CC=C2)=CC=C1 19086 [0,1,0,0,1,0|0,1,0]=3 56 B15R2.31 NC1=CC(OC2=CC=CC=C2)=CC=C1 31019 [0,1,0,0,1,0|0,1,0]=3 57 B15R2.31 OC1=CC(NC2=CC=CC=C2)=CC=C1 2062 [0,1,0,0,1,0|1,0,0]=3 58 B15R2.38 BrC1=C(NC2=CC=CC=C2)C=CC=C1 35069 [0,1,0,0,1,0|1,0,0]=3 59 B15R2.38 CC1=C(SC2=CC=CC=C2)C=CC=C1 10688 [0,1,0,0,1,0|0,0,0]=2 60 B15R2.38 ClC1=C(NC2=CC=CC=C2)C=CC=C1 31024 [0,1,0,0,1,0|1,0,0]=3 61 B15R2.38 NC1=C(NC2=CC=CC=C2)C=CC=C1 12860 [0,1,0,0,1,0|1,0,0]=3 62 B15R2.38 NC1=C(OC2=CC=CC=C2)C=CC=C1 4002 [0,1,0,0,1,0|0,1,0]=3 63 B15R2.38 NC1=C(SC2=CC=CC=C2)C=CC=C1 10685 [0,1,0,0,1,0|0,0,0]=2 64 B15R2.38 OC1=C(CC2=CC=CC=C2)C=CC=C1 22151 [0,1,0,0,1,0|1,0,0]=3 65 B15R2.2226 BrC(C1=CC=CC=C1)C2=CC=CC=C2 16842 [0,1,0,0,1,0|1,0,0]=3 66 B15R2.2226 C=C(C1=CC=CC=C1)C2=CC=CC=C2 28968 [0,1,0,0,1,0|1,0,0]=3 67 B15R2.2226 CP(C1=CC=CC=C1)C2=CC=CC=C2 6421 [0,1,0,0,1,0|1,0,0]=3 68 B15R2.2226 ClP(C1=CC=CC=C1)C2=CC=CC=C2 6467 [0,1,0,0,1,0|1,0,0]=3 69 B15R2.2226 N=C(C1=CC=CC=C1)C2=CC=CC=C2 18291 [0,1,0,0,1,0|1,0,0]=3 70 B15R2.2226 N=S(C1=CC=CC=C1)C2=CC=CC=C2 23530 [0,1,0,0,1,0|0,0,1]=3 71 B15R2.2226 NC(C1=CC=CC=C1)C2=CC=CC=C2 16088 [0,1,0,0,1,0|1,0,0]=3 72 B15R2.2226 N[NH+](C1=CC=CC=C1)C2=CC=CC=C2 7557 [0,1,0,0,1,0|1,0,0]=3 73 B15R2.2226 O=C(C1=CC=CC=C1)C2=CC=CC=C2 20909 [0,1,0,0,1,0|1,0,0]=3 74 B15R2.2226 O=S(C1=CC=CC=C1)C2=CC=CC=C2 10855 [0,1,0,0,1,0|0,0,1]=3 75 B15R2.2226 O=[PH](C1=CC=CC=C1)C2=CC=CC=C2 23810 [0,1,0,0,1,0|1,0,0]=3 76 B15R2.2226 OC(C1=CC=CC=C1)C2=CC=CC=C2 14509 [0,1,0,0,1,0|1,0,0]=3 77 B17R2.143 O=S(CC1=CC=CC=C1)CC2=CC=CC=C2 10867 [0,1,0,0,0,1|1,0,1]=4 78 B17R2.2342 C[C@@H](NCc1ccccc1)c2ccccc2 5974 [0,1,0,0,0,1|2,0,0]=4 79 B17R2.2342 C[C@H](NCc1ccccc1)c2ccccc2 5973 [0,1,0,0,0,1|2,0,0]=4 80 B17R2.2342 O=C(COC1=CC=CC=C1)C2=CC=CC=C2 28257 [0,1,0,0,0,1|1,1,0]=4 81 B17R2.262 O=CC1=C(OCC2=CC=CC=C2)C=CC=C1 13124 [0,2,0,0,0,0|1,1,0]=4 82 B17R2.3417 O=C(NC1=CC=CC=C1)C2=CC=CC=C2O 22916 [0,2,0,0,0,0|2,0,0]=4 83 B17R2.5121 ClC1=C(SSC2=C(Cl)C=CC=C2)C=CC=C1 15298 [0,2,0,0,0,0|0,0,0]=2 84 B17R2.5121 FC1=C(SSC2=C(F)C=CC=C2)C=CC=C1 15297 [0,2,0,0,0,0|0,0,0]=2 85 B17R2.5121 NC1=C(SSC2=C(N)C=CC=C2)C=CC=C1 15295 [0,2,0,0,0,0|0,0,0]=2 86 B17R2.5360 CC1=CC(Br)=C(OCC2=CC=CC=C2)C=C1 27423 [0,2,0,0,0,0|1,1,0]=4 87 B17R2.5360 FC1=C(OCC2=CC=CC=C2)C=CC(Br)=C1 31157 [0,2,0,0,0,0|1,1,0]=4 88 B17R2.5360 OC1=CC(F)=C(OCC2=CC=CC=C2)C=C1 33707 [0,2,0,0,0,0|1,1,0]=4 89 B17R2.192 O=C(CC1=CC=CC=C1)C2=CC=C(F)C=C2 35903 [0,2,0,0,0,0|2,0,0]=4 90 B17R2.192 O=C(OC1=CC=CC=C1)C2=CC=C(O)C=C2 22659 [0,2,0,0,0,0|1,1,0]=4 91 B17R2.209 Cc1ccc(C[C@H](N)c2ccccc2)cc1 7990 [0,2,0,0,0,0|2,0,0]=4 92 B17R2.5293 NC1=CC=CC(NC(=O)C2=CC=CC=C2)=C1 21037 [0,2,0,0,0,0|2,0,0]=4 93 B17R2.10205 N[C@@H](C1=CC=CC=C1)[C@H](O)C2=CC=CC=C2 21742 [0,2,0,0,0,0|2,0,0]=4 94 B17R2.10205 N[C@@H](C1=CC=CC=C1)[C@H](O)C2=CC=CC=C2 5986 [0,2,0,0,0,0|2,0,0]=4 95 B17R2.10205 N[C@@H](c1ccccc1)[C@@H](N)c2ccccc2 5774 [0,2,0,0,0,0|2,0,0]=4 96 B17R2.10205 N[C@H](C1=CC=CC=C1)[C@@H](O)C2=CC=CC=C2 5988 [0,2,0,0,0,0|2,0,0]=4 97 B17R2.10205 N[C@H](c1ccccc1)[C@H](N)c2ccccc2 5777 [0,2,0,0,0,0|2,0,0]=4 98 B17R2.10205 O=C(C1=CC=CC=C1)C(O)C2=CC=CC=C2 20784 [0,2,0,0,0,0|2,0,0]=4 99 B17R2.20249 O=S(=O)(CC1=CC=CC=C1)C2=CC=CC=C2 13518 [0,2,0,0,0,0|1,0,1]=4 100 B17R2.48 COC1=CC=C(CNC2=CC=CC=C2)C=C1 31251 [0,2,0,0,0,0|2,0,0]=4 101 B17R2.48 ClCC1=CC=C(OCC2=CC=CC=C2)C=C1 21918 [0,2,0,0,0,0|1,1,0]=4 102 B17R2.48 NNC1=CC=C(OCC2=CC=CC=C2)C=C1 12359 [0,2,0,0,0,0|1,1,0]=4 103 B17R2.48 O=CC1=CC=C(OCC2=CC=CC=C2)C=C1 13131 [0,2,0,0,0,0|1,1,0]=4 104 B17R2.48 OCC1=CC=C(OCC2=CC=CC=C2)C=C1 13611 [0,2,0,0,0,0|1,1,0]=4 105 B17R2.193 CC1=C(Br)C=CC(OCC2=CC=CC=C2)=C1 25981 [0,2,0,0,0,0|1,1,0]=4 106 B17R2.193 NC1=C(F)C=CC(OCC2=CC=CC=C2)=C1 18124 [0,2,0,0,0,0|1,1,0]=4 107 B17R2.207 BrC1=CC=C(\C=C\C2=CC=C(Br)C=C2)C=C1 13931 [0,2,0,0,0,0|2,0,0]=4 108 B17R2.207 CC1=CC=C(SSC2=CC=C(C)C=C2)C=C1 15321 [0,2,0,0,0,0|0,0,0]=2 109 B17R2.207 ClC1=CC=C(SSC2=CC=C(Cl)C=C2)C=C1 12879 [0,2,0,0,0,0|0,0,0]=2 110 B17R2.207 FC1=CC=C(CCC2=CC=C(F)C=C2)C=C1 10063 [0,2,0,0,0,0|2,0,0]=4 111 B17R2.207 NC1=CC=C(C#CC2=CC=C(N)C=C2)C=C1 32351 [0,2,0,0,0,0|2,0,0]=4 112 B17R2.207 NC1=CC=C(SSC2=CC=C(N)C=C2)C=C1 15308 [0,2,0,0,0,0|0,0,0]=2 113 B17R2.207 OC1=CC=C(SSC2=CC=C(O)C=C2)C=C1 15317 [0,2,0,0,0,0|0,0,0]=2 114 B17R2.207 OC1=CC=C(\C=N\C2=CC=C(F)C=C2)C=C1 21923 [0,2,0,0,0,0|2,0,0]=4 115 B17R2.1819 BrCC1=CC=CC(OCC2=CC=CC=C2)=C1 21036 [0,2,0,0,0,0|1,1,0]=4 116 B17R2.1819 NNC1=CC(OCC2=CC=CC=C2)=CC=C1 12360 [0,2,0,0,0,0|1,1,0]=4 117 B17R2.1819 O=CC1=CC(OCC2=CC=CC=C2)=CC=C1 13128 [0,2,0,0,0,0|1,1,0]=4 118 B17R2.1819 OCC1=CC(OCC2=CC=CC=C2)=CC=C1 7731 [0,2,0,0,0,0|1,1,0]=4 119 B17R2.3212 NC1=CC(Cl)=CC(OCC2=CC=CC=C2)=C1 31014 [0,2,0,0,0,0|1,1,0]=4 120 B17R2.3212 OC1=CC(O)=CC(\C=C\C2=CC=CC=C2)=C1 19089 [0,2,0,0,0,0|2,0,0]=4 121 B17R2.5300 ClC1=CC=CC(SSC2=CC(Cl)=CC=C2)=C1 15310 [0,2,0,0,0,0|0,0,0]=2 122 B17R2.5300 FC1=CC=CC(SSC2=CC(F)=CC=C2)=C1 15309 [0,2,0,0,0,0|0,0,0]=2 123 B15R3.3 C1=CC2=C(C=C1)C3=C(C=CC=C3)O2 7058 [0,0,0,1,1,0|0,1,0]=3 124 B15R3.3 C1=CC2=C(C=C1)C3=C(C=CC=C3)S2 7382 [0,0,0,1,1,0|0,0,0]=2 125 B15R3.3 C1=CC=C2C(=C1)CC3=C2C=CC=C3 28994 [0,0,0,1,1,0|1,0,0]=3 126 B15R3.3 C1=CC=C2C(=C1)NC3=C2C=CC=C3 9944 [0,0,0,1,1,0|1,0,0]=3 127 B15R3.3 C1=CC=C2C(=C1)NC3=C2C=CN=C3 36212 [0,0,0,1,1,0|2,0,0]=4 128 B17R3.8 C1=CC=C(C2=NNC3=CC=CC=C32)C=C1 11855 [0,0,0,1,0,1|2,0,0]=4 129 B17R3.8 C1=CC=C(C2C=CC3=CC=CC=C32)C=C1 15077 [0,0,0,1,0,1|2,0,0]=4 130 B17R3.8 C1=CC=C(N2C=CC3=CC=CC=C32)C=C1 23692 [0,0,0,1,0,1|2,0,0]=4 131 B17R3.8 C1=CC=C(N2C=NC3=C2C=CC=C3)C=C1 19972 [0,0,0,1,0,1|2,0,0]=4 132 B17R3.1927 c1ccc([C@H]2O[C@@H]2c3ccccc3)cc1 6020 [0,0,0,1,0,1|1,1,0]=4 133 B17R3.1830 C1=CC2=C(C=C1)NC3=C(C=CC=C3)CC2 20270 [0,1,0,1,0,0|2,0,0]=4 134 B17R3.8708 C1=CC=C(C2=CC3=CC=CC=C3C2)C=C1 15078 [0,1,0,1,0,0|2,0,0]=4 135 B17R3.8708 C1=CC=C(C2=CC3=CC=CC=C3N2)C=C1 7508 [0,1,0,1,0,0|2,0,0]=4 136 B17R3.8708 C1=CC=C(C2=NC3=C(C=CC=C3)O2)C=C1 33486 [0,1,0,1,0,0|1,1,0]=4 137 B17R3.54615 BrC1=CC2=C(C=CC=C2)C3=CC=CC=C13 13993 [0,1,0,1,0,0|2,0,0]=4 138 B17R3.54615 O=[PH]1OC2=CC=CC=C2C3=C1C=CC=C3 21989 [0,1,0,1,0,0|1,1,0]=4 139 B17R3.18998 BrC1=CC2=C(C=C1)C=CC3=CC=CC=C32 35654 [0,1,0,1,0,0|2,0,0]=4 140 B13R2.3 C1=CC(C2=CC=NC=C2)=CC=N1 9780 [0,0,0,0,2,0|2,0,0]=4 141 B13R2.3 C1=CC=C(C2=CC=CN=C2)C=C1 9110 [0,0,0,0,2,0|1,0,0]=3 142 B13R2.3 C1=CC=C(C2=CC=NC=C2)C=C1 3156 [0,0,0,0,2,0|1,0,0]=3 143 B13R2.3 C1=CC=C(C2=NC=CC=C2)C=C1 13085 [0,0,0,0,2,0|1,0,0]=3 144 B13R2.3 C1=CC=C([N+]2=CC=CC=C2)C=C1 32069 [0,0,0,0,2,0|1,0,0]=3 145 B13R2.3 C1=CC=[N+](C2=CC=NC=C2)C=C1 15356 [0,0,0,0,2,0|2,0,0]=4 146 B13R2.3 C1=CN=C(C2=NC=CC=C2)C=C1 2134 [0,0,0,0,2,0|2,0,0]=4 147 B13R2.3 C1=CN=CC(C2=NC=CC=C2)=C1 26078 [0,0,0,0,2,0|2,0,0]=4 148 B17R2.2382 C1=CC=C(CSSCC2=CC=CC=C2)C=C1 10806 [0,0,0,0,0,2|0,0,0]=2 149 B17R2.2382 C1=CC=C(OCCOC2=CC=CC=C2)C=C1 2389 [0,0,0,0,0,2|0,2,0]=4