0 B14R2.28472 O=C1NC2=C(Br)C=CC=C2C=C1F B62352 [0,0,0,0,0,0|1,1,0]=2 1 B13R2.162 CC1=C2N=C(Cl)C=CC2=CC=C1 C23632 [1,0,0,0,0,0|2,0,1]=4 2 B13R2.162 CC1=CC=C2C=CC=C(Br)C2=N1 B53712 [1,0,0,0,0,0|1,1,1]=4 3 B13R2.162 CC1=NC2=C(C)C=CC=C2C=C1 D54370 [1,0,0,0,0,0|2,0,1]=4 4 B13R2.162 CC1=NC2=C(N)C=CC=C2C=C1 M37877 [1,0,0,0,0,0|2,0,1]=4 5 B13R2.162 ClC1=CC=C2C=CC=C(Br)C2=N1 B20804 [1,0,0,0,0,0|1,1,1]=4 6 B13R2.162 ClC1=NC2=C(Cl)C=CC=C2C=C1 D50730 [1,0,0,0,0,0|1,1,1]=4 7 B13R2.162 FC1=C2C=C(Br)C=CC2=NC=C1 B37752 [1,0,0,0,0,0|3,0,0]=4 8 B13R2.162 NC1=C2C=C(Br)C=CC2=CC=C1 B62031 [1,0,0,0,0,0|3,0,0]=4 9 B13R2.162 NC1=C2C=C(O)C=CC2=CC=C1 A66652 [1,0,0,0,0,0|2,0,1]=4 10 B13R2.162 NC1=CC=C2C=CC=C(Br)C2=C1 B53713 [1,0,0,0,0,0|2,1,0]=4 11 B13R2.162 NC1=CC=C2C=CC=C(O)C2=N1 A51340 [1,0,0,0,0,0|2,0,1]=4 12 B13R2.162 O=C1C=CC2=CC=CC(Br)=C2O1 B50765 [1,0,0,0,0,0|1,1,0]=3 13 B13R2.162 O=C1C=CC2=CC=CC(F)=C2N1 F50947 [1,0,0,0,0,0|0,0,0]=1 14 B13R2.162 O=C1C=CC2=CC=CC(O)=C2O1 H64549 [1,0,0,0,0,0|2,0,0]=3 15 B13R2.162 O=C1CCC2=CC=CC(Cl)=C2N1 C51529 [1,0,0,0,0,0|0,1,2]=4 16 B13R2.162 O=C1CCC2=CC=CC(F)=C2C1 F65022 [1,0,0,0,0,0|1,0,2]=4 17 B13R2.162 O=C1COC2=C(N1)C(O)=CC=C2 H48506 [1,0,0,0,0,0|2,0,1]=4 18 B13R2.162 O=C1COC2=CC=CC(F)=C2N1 F62620 [1,0,0,0,0,0|1,0,1]=3 19 B13R2.162 OC1=C2C=C(Br)C=CC2=CC=C1 B53612 [1,0,0,0,0,0|3,0,0]=4 20 B13R2.162 OC1=C2C=C(F)C=CC2=CC=C1 F53621 [1,0,0,0,0,0|3,0,0]=4 21 B13R2.162 OC1=C2N=C(Br)C=CC2=CC=C1 B50903 [1,0,0,0,0,0|2,0,1]=4 22 B13R2.162 OC1=C2N=C(Cl)C=CC2=CC=C1 C28732 [1,0,0,0,0,0|2,0,1]=4 23 B13R2.162 OC1=CC=C2C=CC=C(Br)C2=C1 B53615 [1,0,0,0,0,0|1,1,1]=4 24 B13R2.162 OC1=CC=C2C=CC=C(Cl)C2=N1 C50927 [1,0,0,0,0,0|0,1,2]=4 25 B13R2.162 OC1=CC=C2C=CC=C(F)C2=C1 F64850 [1,0,0,0,0,0|1,0,1]=3 26 B13R2.369 BrC1=CC2=CC=CC=C2C=C1Br D11891 [1,0,0,0,0,0|3,0,0]=4 27 B13R2.369 BrC1=CC2=CC=CC=C2N=C1Br D12593 [1,0,0,0,0,0|2,0,1]=4 28 B13R2.369 CC1=CC2=CC=CC=C2N=C1Cl C53724 [1,0,0,0,0,0|2,0,1]=4 29 B13R2.369 CC1=NC2=CC=CC=C2C=C1Br B60030 [1,0,0,0,0,0|2,0,1]=4 30 B13R2.369 CC1=NC2=CC=CC=C2C=C1N M38253 [1,0,0,0,0,0|2,0,1]=4 31 B13R2.369 C[C@@H]1NC2=C(C=CC=C2)NC1=O M0672 [1,0,0,0,0,0|2,0,1]=4 32 B13R2.369 C[C@@H]1OC2=C(C=CC=C2)NC1=O M51787 [1,0,0,0,0,0|2,0,1]=4 33 B13R2.369 ClC1=CC2=CC=CC=C2N=C1Cl D50728 [1,0,0,0,0,0|2,0,1]=4 34 B13R2.369 ClC1=NC2=CC=CC=C2C=C1Br B0520 [1,0,0,0,0,0|2,0,1]=4 35 B13R2.369 NC1=CC2=CC=CC=C2C=C1I K53740 [1,0,0,0,0,0|3,0,0]=4 36 B13R2.369 NC1=NC2=C(C=CC=C2)OC1=O A7976 [1,0,0,0,0,0|3,0,0]=4 37 B13R2.369 NC1=NC2=CC=CC=C2C=C1Br B38777 [1,0,0,0,0,0|2,0,1]=4 38 B13R2.369 O=C1NC2=C(C=CC=C2)N=C1Cl C11394 [1,0,0,0,0,0|2,0,0]=3 39 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1O H47728 [1,0,0,0,0,0|2,0,0]=3 40 B13R2.369 OC1=CC2=CC=CC=C2N=C1Cl C18445 [1,0,0,0,0,0|1,0,1]=3 41 B13R2.5179 CC1=C2C=CC(O)=CC2=NC=C1 M53895 [1,0,0,0,0,0|3,0,0]=4 42 B13R2.5179 CC1=CC2=CC=CC(N)=C2N=C1 M61364 [1,0,0,0,0,0|2,0,1]=4 43 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=C1 M54373 [1,0,0,0,0,0|3,0,0]=4 44 B13R2.5179 ClC1=C2N=CC(Br)=CC2=CC=C1 B38411 [1,0,0,0,0,0|1,1,1]=4 45 B13R2.5179 ClC1=C2N=CC(I)=CC2=CC=C1 C50742 [1,0,0,0,0,0|1,1,1]=4 46 B13R2.5179 FC1=C2N=CC(I)=CC2=CC=C1 F63858 [1,0,0,0,0,0|1,0,1]=3 47 B13R2.5179 NC1=C2N=CC(Br)=CC2=CC=C1 B51047 [1,0,0,0,0,0|2,0,1]=4 48 B13R2.5179 O=C1C=CNC2=C1C=CC(O)=C2 H62038 [1,0,0,0,0,0|3,0,0]=4 49 B13R2.5179 O=C1C=COC2=C1C=CC(O)=C2 H12093 [1,0,0,0,0,0|3,0,0]=4 50 B13R2.5179 O=C1NC=CC2=C1C=CC(O)=C2 H51182 [1,0,0,0,0,0|3,0,0]=4 51 B13R2.5179 OC1=C2C=CC(Br)=CC2=CC=C1 B36899 [1,0,0,0,0,0|3,0,0]=4 52 B13R2.5179 OC1=C2C=CC(F)=CC2=CC=C1 F53619 [1,0,0,0,0,0|3,0,0]=4 53 B13R2.5179 OC1=CC=C2C(=C1)C=CN=C2Cl C50929 [1,0,0,0,0,0|2,1,0]=4 54 B13R2.5179 OC1=CC=C2C(Cl)=CC=NC2=C1 C28695 [1,0,0,0,0,0|2,1,0]=4 55 B13R2.5179 OC1=CC=C2C(O)=CC=CC2=C1 D69657 [1,0,0,0,0,0|2,0,0]=3 56 B13R2.4825 CC1=CC=CC2=C1NC(=O)C2=O M37436 [0,0,0,0,1,0|1,0,1]=3 57 B13R2.4825 C[C@@H]1C(=O)NC2=C(Br)C=CC=C21 B61898 [0,0,0,0,1,0|1,1,1]=4 58 B13R2.4825 O=C1NC2=C(Br)C=CC=C2C1=O B47383 [0,0,0,0,1,0|0,1,1]=3 59 B13R2.4825 O=C1NC2=C(Cl)C=CC=C2C1=O C47391 [0,0,0,0,1,0|0,1,1]=3 60 B13R2.4856 O=C1NC2=CC=CC(Br)=C2C1=O B47382 [0,0,0,0,1,0|1,1,1]=4 61 B13R2.4856 O=C1NC2=CC=CC(Cl)=C2C1=O C47390 [0,0,0,0,1,0|1,1,1]=4 62 B13R2.4856 O=C1NC2=CC=CC(F)=C2C1=O F69164 [0,0,0,0,1,0|1,0,1]=3 63 B12R1.224 CC1=C(F)C=CC=C1CC(=O)O F51950 [1,0,1,0,0,0|1,0,1]=4 64 B12R1.224 O=C(O)CC1=CC=CC(F)=C1Br B48141 [1,0,1,0,0,0|1,0,1]=4 65 B12R1.224 O=C(O)CC1=CC=CC(F)=C1Cl C48171 [1,0,1,0,0,0|1,0,1]=4 66 B12R1.224 O=C(O)CC1=CC=CC(F)=C1F D48190 [1,0,1,0,0,0|1,0,1]=4 67 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=C1 M66326 [1,0,1,0,0,0|2,0,0]=4 68 B12R1.226 O=C(O)C=CC1=CC=CC(Cl)=C1 C39567 [1,0,1,0,0,0|1,1,0]=4 69 B12R1.226 O=C(O)C=CC1=CC=CC(I)=C1 K51272 [1,0,1,0,0,0|1,1,0]=4 70 B12R1.226 O=[N+]([O-])C=CC1=CC=CC(F)=C1 F47997 [1,0,1,0,0,0|2,0,0]=4 71 B12R1.226 O=[N+]([O-])\C=C\C1=CC=CC(F)=C1 F62637 [1,0,1,0,0,0|2,0,0]=4 72 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 F68685 [1,0,1,0,0,0|2,0,0]=4 73 B12R2.24 BrC1=CC2=CC=CC=C2C=C1 B39635 [2,0,0,0,0,0|2,0,0]=4 74 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 B1013 [2,0,0,0,0,0|1,0,1]=4 75 B12R2.24 CC1=CC2=CC=CC=C2N=C1 M68883 [2,0,0,0,0,0|1,0,1]=4 76 B12R2.24 ClC1=CC2=CC=CC=C2N=C1 C50850 [2,0,0,0,0,0|1,0,1]=4 77 B12R2.24 FC1=CC2=CC=CC=C2C=C1 F53501 [2,0,0,0,0,0|2,0,0]=4 78 B12R2.24 IC1=CC2=CC=CC=C2C=C1 I38722 [2,0,0,0,0,0|2,0,0]=4 79 B12R2.24 NC1=CC2=CC=CC=C2C=C1 N65553 [2,0,0,0,0,0|2,0,0]=4 80 B12R2.24 NC1=NC2=CC=CC=C2C=C1 Q9616 [2,0,0,0,0,0|1,0,1]=4 81 B12R2.24 O=C1C=CC2=C(C=CC=N2)N1 N37672 [2,0,0,0,0,0|1,0,0]=3 82 B12R2.24 O=C1C=CC2=CC=CNC2=N1 N0688 [2,0,0,0,0,0|1,0,1]=4 83 B12R2.24 O=C1C=CC2=NC=CN=C2N1 P44867 [2,0,0,0,0,0|2,0,0]=4 84 B12R2.24 O=C1C=NC2=CC=CN=C2N1 P44866 [2,0,0,0,0,0|2,0,0]=4 85 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 D67464 [2,0,0,0,0,0|0,0,2]=4 86 B12R2.24 O=C1COC2=C(C=CC=C2)N1 B48457 [2,0,0,0,0,0|1,0,1]=4 87 B12R2.24 O=C1NCC2=C(C=CC=C2)N1 D48807 [2,0,0,0,0,0|1,0,1]=4 88 B12R2.24 OC1=CC2=CC=CC=C2C=N1 H8153 [2,0,0,0,0,0|2,0,0]=4 89 B12R2.24 OC1=CC2=CC=CC=C2N=C1 H32203 [2,0,0,0,0,0|0,0,1]=3 90 B12R2.24 OC1=CC2=CC=NC=C2C=C1 H3875 [2,0,0,0,0,0|2,0,0]=4 91 B12R2.24 OC1=CC2=CN=CC=C2C=C1 Q3876 [2,0,0,0,0,0|2,0,0]=4 92 B12R2.24 OC1=CC2=NC=CC=C2C=C1 Q67940 [2,0,0,0,0,0|2,0,0]=4 93 B12R2.24 [Mg+]C1=CC2=CC=CC=C2C=C1 N31715 [2,0,0,0,0,0|2,0,0]=4 94 B12R2.1081 BrC1=CC=CC2=CC=CN=C12 B2763 [2,0,0,0,0,0|0,1,1]=4 95 B12R2.1081 FC1=CC=CC2=CC=CC=C12 F60518 [2,0,0,0,0,0|1,0,0]=3 96 B12R2.1081 FC1=CC=CC2=CC=CN=C12 F0856 [2,0,0,0,0,0|0,0,1]=3 97 B12R2.1081 FC1=CC=CC2=CN=CN=C12 F47556 [2,0,0,0,0,0|1,0,1]=4 98 B12R2.1081 FC1=CC=CC2=NC=CN=C12 F47555 [2,0,0,0,0,0|1,0,1]=4 99 B12R2.1081 FC1=CN=CC2=CC=CC=C12 F49695 [2,0,0,0,0,0|2,0,0]=4 100 B12R2.1081 FC1=CN=CC2=CC=CC=C12 F9905 [2,0,0,0,0,0|2,0,0]=4 101 B12R2.1081 IC1=CC=CC2=CC=CC=C12 K53502 [2,0,0,0,0,0|1,1,0]=4 102 B12R2.1081 IC1=CC=CC2=CC=CN=C12 I3662 [2,0,0,0,0,0|0,1,1]=4 103 B12R2.1081 NC1=C2N=CC=CC2=CC=C1 Q24367 [2,0,0,0,0,0|1,0,1]=4 104 B12R2.1081 [Mg+]C1=CC=CC2=CC=CC=C12 N31714 [2,0,0,0,0,0|2,0,0]=4 105 B14R2.142 O=CC1=CC=C2C=CC=C(F)C2=N1 F62617 [1,1,0,0,0,0|0,0,1]=3 106 B14R2.142 O=CC1=NC2=C(O)C=CC=C2C=C1 H53569 [1,1,0,0,0,0|1,0,1]=4 107 B14R2.4513 CC1=C(Cl)C=CC2=C1NC(=O)C=C2 C53789 [1,1,0,0,0,0|1,0,0]=3 108 B14R2.4513 O=C1C=CC2=CC=C(O)C(O)=C2O1 D0663 [1,1,0,0,0,0|2,0,0]=4 109 B14R2.8045 CC1=CC(=O)NC2=C(Cl)C=CC=C12 C53790 [1,1,0,0,0,0|0,1,0]=3 110 B14R2.8045 CC1=CC=CC2=C1NC(=O)NC2=O M51391 [1,1,0,0,0,0|2,0,0]=4 111 B14R2.8045 CC1=CC=CC2=C1NC(=O)OC2=O M61150 [1,1,0,0,0,0|2,0,0]=4 112 B14R2.8045 O=C1NC(=O)C2=CC=CC(F)=C2N1 F47592 [1,1,0,0,0,0|1,0,0]=3 113 B14R2.8045 O=C1NC(=O)C2=CC=CC(I)=C2N1 K47602 [1,1,0,0,0,0|1,1,0]=4 114 B14R2.8045 O=C1NC2=C(Br)C=CC=C2C(=O)O1 B47414 [1,1,0,0,0,0|1,1,0]=4 115 B14R2.8235 FC1=CC(F)=C2N=C(Cl)C=CC2=C1 C50650 [1,1,0,0,0,0|1,0,1]=4 116 B14R2.8751 CC1=C2C=CC(=O)OC2=C(O)C=C1 M64560 [1,1,0,0,0,0|2,0,0]=4 117 B14R2.8751 O=C1CCC2=C(O)C=CC(F)=C2N1 F60138 [1,1,0,0,0,0|0,0,2]=4 118 B14R2.11684 COC1=C2OC(=O)C=CC2=CC=C1 M61686 [1,1,0,0,0,0|2,0,0]=4 119 B14R2.8188 CC1=C(O)C2=C(C=CC=C2)NC1=O H32193 [1,1,0,0,0,0|1,0,0]=3 120 B14R2.8239 O=C1NC2=C(C=C(Br)C=C2)NC1=O B47571 [1,1,0,0,0,0|1,0,1]=4 121 B14R2.1801 COC1=CC2=CC=CC(O)=C2C=C1 M54342 [1,1,0,0,0,0|2,0,0]=4 122 B14R2.1801 COC1=CC=C2C([Mg+])=CC=CC2=C1 M31720 [1,1,0,0,0,0|2,0,0]=4 123 B14R2.29365 NC1=CC(F)=C2N=CC(Br)=CC2=C1 B50800 [1,1,0,0,0,0|1,0,1]=4 124 B14R2.29369 OC1=CC=C2C=C(Br)C=CC2=C1F B53497 [1,1,0,0,0,0|2,0,0]=4 125 B14R2.8620 O=C1NC2=C(Cl)C=CC(Cl)=C2C1=O D47291 [0,1,0,0,1,0|0,1,1]=4 126 B14R2.9184 CC1=C2NC(=O)C(=O)C2=CC(Cl)=C1 C50876 [0,1,0,0,1,0|1,0,1]=4 127 B14R2.9184 CC1=CC2=C(NC(=O)C2=O)C(C)=C1 D53926 [0,1,0,0,1,0|1,0,1]=4 128 B14R2.9184 O=C1NC2=C(Br)C=C(F)C=C2C1=O B47289 [0,1,0,0,1,0|0,1,1]=4 129 B14R2.9184 O=C1NC2=C(F)C=C(F)C=C2C1=O D47295 [0,1,0,0,1,0|0,0,1]=3 130 B14R2.11645 COC1=CC=CC2=C1NC(=O)C2=O M51201 [0,1,0,0,1,0|1,0,1]=4 131 B14R2.28485 CN1C(=O)C(=O)C2=CC=CC(F)=C21 F50886 [0,1,0,0,1,0|0,0,1]=3 132 B14R2.27750 O=C1NC2=CC(F)=CC(F)=C2C1=O D47296 [0,1,0,0,1,0|1,0,1]=4 133 B14R2.4529 NC(=O)C1=CC2=C(C=CC(Cl)=C2)N1 C38242 [0,0,1,1,0,0|1,1,0]=4 134 B14R2.4529 NC1=CC2=C(C=C1)OC(C(=O)O)=C2 A66229 [0,0,1,1,0,0|2,0,0]=4 135 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)O1 B50778 [0,0,1,1,0,0|1,1,0]=4 136 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)O1 C50780 [0,0,1,1,0,0|1,1,0]=4 137 B14R2.4529 O=C(O)C1=CC2=C(C=CC(O)=C2)O1 H51002 [0,0,1,1,0,0|2,0,0]=4 138 B14R2.7969 O=C(O)C1=CC2=CC=CC(Br)=C2O1 B9974 [0,0,1,1,0,0|1,1,0]=4 139 B14R2.7969 O=C(O)C1=CC2=CC=CC(F)=C2N1 F50889 [0,0,1,1,0,0|2,0,0]=4 140 B12R1.225 O=C(O)C(=O)C1=CC=CC(F)=C1 F62229 [0,0,1,0,1,0|1,0,1]=4 141 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(F)=C1 F48687 [0,0,1,0,1,0|1,0,1]=4 142 B12R2.202 FC1=CC=CC2=C1NC(=S)S2 F61525 [1,0,0,0,1,0|1,1,0]=4 143 B12R2.202 FC1=CC=CC2=C1NC(Cl)=N2 C44332 [1,0,0,0,1,0|2,0,0]=4 144 B12R2.202 NC1=CC=CC2=C1NC(=O)C2 A48794 [1,0,0,0,1,0|1,0,1]=4 145 B12R2.202 O=C1CC2=C(F)C=CC=C2N1 F48095 [1,0,0,0,1,0|2,0,0]=4 146 B12R2.202 O=C1CC2=CC=CC(Br)=C2N1 B12492 [1,0,0,0,1,0|0,1,1]=4 147 B12R2.202 O=C1CC2=CC=CC(F)=C2N1 F48096 [1,0,0,0,1,0|0,0,1]=3 148 B12R2.202 O=C1NC2=C(C=CC=C2F)S1 F44555 [1,0,0,0,1,0|1,0,0]=3 149 B12R2.202 O=C1NC2=C(Cl)C=CC=C2S1 C44540 [1,0,0,0,1,0|1,1,0]=4 150 B12R2.202 O=C1NC2=CC=CC(F)=C2N1 F38220 [1,0,0,0,1,0|1,0,0]=3 151 B12R2.203 O=C1CCC2=CC=CC(F)=C12 F51324 [1,0,0,0,1,0|0,0,2]=4 152 B12R2.203 O=C1COC2=CC=CC(F)=C12 F63171 [1,0,0,0,1,0|1,0,1]=4 153 B12R2.203 O=C1NOC2=CC=CC(F)=C12 F44454 [1,0,0,0,1,0|2,0,0]=4 154 B12R2.18 CC1=C(C)C2=C(C=CC=C2)N1 D68340 [1,0,0,0,1,0|2,0,0]=4 155 B12R2.18 CN1C(=O)NC2=C1C=CC=C2 M48815 [1,0,0,0,1,0|2,0,0]=4 156 B12R2.18 O=C1NC2=C(C=CC=N2)C1=O P9936 [1,0,0,0,1,0|1,0,1]=4 157 B12R2.196 CC1=CNC2=C(N)C=CC=C12 M16465 [1,0,0,0,1,0|2,0,0]=4 158 B12R2.196 FC1=CC=CC2=C1NN=C2Br B18131 [1,0,0,0,1,0|2,0,0]=4