0 B9R1.6 CC(=O)C1=CN=CN=C1 A7446 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.6 CC(=O)C1=CN=NC=C1 A10222 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.6 CC(=O)C1=NC=CC=N1 A8017 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.6 CC(=O)C1=NC=CN=C1 A39262 [0,0,0,0,0,0|1,0,1]=2 4 B9R1.6 CC(=O)C1=NC=NC=C1 A12246 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.6 CC(=O)C1=NN=CC=C1 P0157 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.6 CC(C)C1=NC=CC=C1 I0627 [0,0,0,0,0,0|1,0,0]=1 7 B9R1.6 CN(C)C1=CC=NC=C1 P68104 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.6 C[C@@H](N)C1=CC=CC=C1 P68072 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.6 C[C@@H](N)C1=CC=CN=C1 P43620 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.6 C[C@@H](N)C1=CC=NC=C1 P43606 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.6 C[C@@H](N)C1=CC=NC=C1 P46584 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.6 C[C@@H](N)C1=CN=CN=C1 A12922 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.6 C[C@@H](N)C1=CN=CN=C1 P27095 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P43619 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P46583 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.6 C[C@@H](O)C1=CC=CC=C1 P46824 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.6 C[C@@H](O)C1=CC=NC=C1 P46383 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.6 C[C@@H](O)C1=NC=CC=C1 P46382 [0,0,0,0,0,0|2,0,0]=2 19 B9R1.6 C[C@H](Br)C1=NC=CN=C1 B42963 [0,0,0,0,0,0|1,0,0]=1 20 B9R1.6 C[C@H](N)C1=CC=CC=C1 P68597 [0,0,0,0,0,0|3,0,0]=3 21 B9R1.6 C[C@H](N)C1=CC=CC=C1 P69271 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.6 C[C@H](N)C1=CC=CN=C1 P43604 [0,0,0,0,0,0|2,0,0]=2 23 B9R1.6 C[C@H](N)C1=CC=CN=C1 P46585 [0,0,0,0,0,0|2,0,0]=2 24 B9R1.6 C[C@H](N)C1=CC=CN=C1 P61653 [0,0,0,0,0,0|2,0,0]=2 25 B9R1.6 C[C@H](N)C1=CC=NC=C1 P43607 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.6 C[C@H](N)C1=CC=NC=C1 P46582 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.6 C[C@H](N)C1=CN=CN=C1 A12921 [0,0,0,0,0,0|3,0,0]=3 28 B9R1.6 C[C@H](N)C1=CN=CN=C1 A7447 [0,0,0,0,0,0|3,0,0]=3 29 B9R1.6 C[C@H](N)C1=CN=NC=C1 P30996 [0,0,0,0,0,0|3,0,0]=3 30 B9R1.6 C[C@H](N)C1=NC=CC=C1 P43621 [0,0,0,0,0,0|2,0,0]=2 31 B9R1.6 C[C@H](N)C1=NC=CC=C1 P66366 [0,0,0,0,0,0|2,0,0]=2 32 B9R1.6 C[C@H](N)C1=NC=CC=N1 P36807 [0,0,0,0,0,0|3,0,0]=3 33 B9R1.6 C[C@H](N)C1=NC=CN=C1 P14583 [0,0,0,0,0,0|1,0,0]=1 34 B9R1.6 C[C@H](N)C1=NC=NC=C1 A12259 [0,0,0,0,0,0|3,0,0]=3 35 B9R1.6 C[C@H](O)C1=CC=CC=C1 P46823 [0,0,0,0,0,0|3,0,0]=3 36 B9R1.6 C[C@H](O)C1=CC=NC=C1 P38118 [0,0,0,0,0,0|4,0,0]=4 37 B9R1.6 C[C@H](O)C1=NC=CC=C1 P46375 [0,0,0,0,0,0|2,0,0]=2 38 B9R1.6 C[C@H](O)C1=NC=CN=C1 P43187 [0,0,0,0,0,0|1,0,0]=1 39 B9R1.6 C[S@](=O)C1=CC=CC=C1 M61814 [0,0,0,0,0,0|4,0,0]=4 40 B9R1.6 C[S@](=O)C1=NC=CC=C1 M43172 [0,0,0,0,0,0|3,0,0]=3 41 B9R1.6 C[S@](=O)C1=NC=CC=N1 M41047 [0,0,0,0,0,0|4,0,0]=4 42 B9R1.6 N=C(N)C1=CC=CN=C1 N43530 [0,0,0,0,0,0|3,0,1]=4 43 B9R1.6 N=C(N)C1=NC=CC=C1 A3829 [0,0,0,0,0,0|3,0,1]=4 44 B9R1.6 N=C(N)C1=NC=CC=C1 P43087 [0,0,0,0,0,0|3,0,1]=4 45 B9R1.6 N=C(N)C1=NC=CN=C1 P60819 [0,0,0,0,0,0|2,0,1]=3 46 B9R1.6 NC(=O)C1=NC=CC=C1 P60877 [0,0,0,0,0,0|3,0,1]=4 47 B9R1.6 O=C(Cl)C1=NC=CC=C1 P42299 [0,0,0,0,0,0|3,0,1]=4 48 B9R1.6 O=C(O)C1=NC=CC=C1 P62145 [0,0,0,0,0,0|3,0,1]=4 49 B9R1.6 O=C(O)C1=NC=CN=C1 P2716 [0,0,0,0,0,0|2,0,1]=3 50 B9R1.6 O=C([O-])C1=NN=CC=N1 T61631 [0,0,0,0,0,0|3,0,1]=4 51 B9R1.6 OB(O)C1=CN=CC=C1 P5080 [0,0,0,0,0,0|4,0,0]=4 52 B9R1.6 OB(O)C1=NC=CC=C1 P36680 [0,0,0,0,0,0|4,0,0]=4 53 B9R1.6 OB(O)C1=NC=CN=C1 P36936 [0,0,0,0,0,0|3,0,0]=3 54 B8R1.2 BrCC1=CN=CC=C1 B23879 [1,0,0,0,0,0|2,0,0]=3 55 B8R1.2 BrCC1=CN=CN=C1 B36879 [1,0,0,0,0,0|3,0,0]=4 56 B8R1.2 BrCC1=NC=CC=C1 B42841 [1,0,0,0,0,0|2,0,0]=3 57 B8R1.2 BrCC1=NC=CN=C1 B36766 [1,0,0,0,0,0|1,0,0]=2 58 B8R1.2 BrCC1=NC=NC=C1 B32305 [1,0,0,0,0,0|3,0,0]=4 59 B8R1.2 BrCC1=NN=CC=C1 B36818 [1,0,0,0,0,0|3,0,0]=4 60 B8R1.2 C#CC1=CC=CN=C1 E12479 [1,0,0,0,0,0|1,0,2]=4 61 B8R1.2 C#CC1=NC=CC=C1 E12434 [1,0,0,0,0,0|1,0,2]=4 62 B8R1.2 C#CC1=NC=CN=C1 E14588 [1,0,0,0,0,0|0,0,2]=3 63 B8R1.2 CCC1=NC=CN=C1 E43180 [1,0,0,0,0,0|0,0,0]=1 64 B8R1.2 CNC1=CC=CN=C1 M38086 [1,0,0,0,0,0|2,0,0]=3 65 B8R1.2 CNC1=CN=CN=C1 M29839 [1,0,0,0,0,0|3,0,0]=4 66 B8R1.2 CNC1=CN=NC=C1 M38382 [1,0,0,0,0,0|3,0,0]=4 67 B8R1.2 CNC1=NC=CN=C1 M41140 [1,0,0,0,0,0|1,0,0]=2 68 B8R1.2 COC1=CN=CC=C1 M67978 [1,0,0,0,0,0|2,0,0]=3 69 B8R1.2 COC1=CN=NC=C1 M41023 [1,0,0,0,0,0|3,0,0]=4 70 B8R1.2 COC1=NC=CC=C1 M39277 [1,0,0,0,0,0|2,0,0]=3 71 B8R1.2 COC1=NC=CN=C1 M2768 [1,0,0,0,0,0|1,0,0]=2 72 B8R1.2 COC1=NN=CC=C1 M41021 [1,0,0,0,0,0|3,0,0]=4 73 B8R1.2 CSC1=NC=CC=N1 M2492 [1,0,0,0,0,0|3,0,0]=4 74 B8R1.2 CSC1=NN=CC=N1 M5642 [1,0,0,0,0,0|2,0,0]=3 75 B8R1.2 ClCC1=CN=CN=C1 C10228 [1,0,0,0,0,0|3,0,0]=4 76 B8R1.2 ClCC1=NC=CC=C1 C67870 [1,0,0,0,0,0|2,0,0]=3 77 B8R1.2 ClCC1=NC=CC=N1 C0153 [1,0,0,0,0,0|3,0,0]=4 78 B8R1.2 ClCC1=NC=CC=N1 C40877 [1,0,0,0,0,0|3,0,0]=4 79 B8R1.2 ClCC1=NC=CN=C1 C0149 [1,0,0,0,0,0|1,0,0]=2 80 B8R1.2 ClCC1=NC=NC=C1 C40878 [1,0,0,0,0,0|3,0,0]=4 81 B8R1.2 ClCC1=NN=CC=C1 C0156 [1,0,0,0,0,0|3,0,0]=4 82 B8R1.2 N#CC1=NC=CN=C1 C68117 [1,0,0,0,0,0|1,0,1]=3 83 B8R1.2 NCC1=CC=CN=C1 A69257 [1,0,0,0,0,0|2,0,0]=3 84 B8R1.2 NCC1=CC=CN=N1 A0031 [1,0,0,0,0,0|3,0,0]=4 85 B8R1.2 NCC1=CC=CN=N1 P29569 [1,0,0,0,0,0|3,0,0]=4 86 B8R1.2 NCC1=CN=CN=C1 P0028 [1,0,0,0,0,0|3,0,0]=4 87 B8R1.2 NCC1=CN=CN=C1 P29548 [1,0,0,0,0,0|3,0,0]=4 88 B8R1.2 NCC1=CN=NC=C1 A0027 [1,0,0,0,0,0|3,0,0]=4 89 B8R1.2 NCC1=CN=NC=C1 P41350 [1,0,0,0,0,0|3,0,0]=4 90 B8R1.2 NCC1=NC=CC=N1 A7421 [1,0,0,0,0,0|3,0,0]=4 91 B8R1.2 NCC1=NC=CC=N1 P0030 [1,0,0,0,0,0|3,0,0]=4 92 B8R1.2 NCC1=NC=CN=C1 P0029 [1,0,0,0,0,0|1,0,0]=2 93 B8R1.2 NCC1=NC=CN=C1 P4303 [1,0,0,0,0,0|1,0,0]=2 94 B8R1.2 NCC1=NC=NC=C1 A0032 [1,0,0,0,0,0|3,0,0]=4 95 B8R1.2 NCC1=NC=NC=C1 A10198 [1,0,0,0,0,0|3,0,0]=4 96 B8R1.2 NCC1=NC=NC=C1 P23754 [1,0,0,0,0,0|3,0,0]=4 97 B8R1.2 NNC1=CC=CN=C1 H0043 [1,0,0,0,0,0|3,0,0]=4 98 B8R1.2 NNC1=CC=CN=C1 H41349 [1,0,0,0,0,0|3,0,0]=4 99 B8R1.2 NNC1=NC=CC=C1 H38511 [1,0,0,0,0,0|3,0,0]=4 100 B8R1.2 NNC1=NC=CN=C1 H0220 [1,0,0,0,0,0|2,0,0]=3 101 B8R1.2 O=CC1=CN=CC=C1 P13753 [1,0,0,0,0,0|2,0,1]=4 102 B8R1.2 O=CC1=NC=CC=C1 P67836 [1,0,0,0,0,0|2,0,1]=4 103 B8R1.2 O=CC1=NC=CN=C1 P0148 [1,0,0,0,0,0|1,0,1]=3 104 B8R1.2 OCC1=CN=CC=C1 P15946 [1,0,0,0,0,0|2,0,0]=3 105 B8R1.2 OCC1=CN=CN=C1 P0145 [1,0,0,0,0,0|3,0,0]=4 106 B8R1.2 OCC1=NC=CC=C1 P69303 [1,0,0,0,0,0|2,0,0]=3 107 B8R1.2 OCC1=NC=CC=N1 P0151 [1,0,0,0,0,0|3,0,0]=4 108 B8R1.2 OCC1=NC=CN=C1 P0147 [1,0,0,0,0,0|1,0,0]=2 109 B8R1.2 OCC1=NC=NC=C1 P0160 [1,0,0,0,0,0|3,0,0]=4 110 B8R1.2 OCC1=NN=CC=C1 P0155 [1,0,0,0,0,0|3,0,0]=4 111 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 B3106 [0,1,0,0,0,0|2,0,1]=4 112 B10R1.13 CC(=O)C1=CN=C(C)C=C1 A23296 [0,1,0,0,0,0|2,0,1]=4 113 B10R1.13 CC(=O)C1=CN=C(Cl)C=C1 A24257 [0,1,0,0,0,0|2,0,1]=4 114 B10R1.13 CC(=O)C1=CN=C(F)C=C1 F45498 [0,1,0,0,0,0|2,0,1]=4 115 B10R1.13 CC(=O)C1=CN=C(N)C=C1 A22139 [0,1,0,0,0,0|2,0,1]=4 116 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 B22347 [0,1,0,0,0,0|2,0,1]=4 117 B10R1.13 CC(=O)C1=NC=C(C)C=C1 M49266 [0,1,0,0,0,0|2,0,1]=4 118 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 C26822 [0,1,0,0,0,0|2,0,1]=4 119 B10R1.13 CC(=O)C1=NC=C(O)C=C1 H45820 [0,1,0,0,0,0|2,0,1]=4 120 B10R1.13 CC(=O)C1=NC=C(O)N=C1 H42776 [0,1,0,0,0,0|1,0,1]=3 121 B10R1.13 CC(C)C1=CC=C(Br)C=C1 B49963 [0,1,0,0,0,0|2,0,0]=3 122 B10R1.13 CC(C)C1=CC=C(N)C=C1 P69319 [0,1,0,0,0,0|2,0,0]=3 123 B10R1.13 CC(C)C1=CC=C(O)C=C1 P60863 [0,1,0,0,0,0|2,0,0]=3 124 B10R1.13 CC(C)C1=CC=C([Mg+])C=C1 P31759 [0,1,0,0,0,0|2,0,0]=3 125 B10R1.13 CC(C)C1=CN=C(Br)C=C1 B46728 [0,1,0,0,0,0|1,0,0]=2 126 B10R1.13 CC(C)C1=CN=C(N)C=C1 P24474 [0,1,0,0,0,0|1,0,0]=2 127 B10R1.13 CC(C)C1=NC=C(Br)C=C1 B32058 [0,1,0,0,0,0|1,0,0]=2 128 B10R1.13 CC(C)C1=NC=C(Br)C=N1 B13199 [0,1,0,0,0,0|2,0,0]=3 129 B10R1.13 CC(C)C1=NC=C(N)C=C1 A12160 [0,1,0,0,0,0|1,0,0]=2 130 B10R1.13 CC1=CC=C(C(C)C)C=C1 D60786 [0,1,0,0,0,0|2,0,0]=3 131 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 T52161 [0,1,0,0,0,0|3,0,0]=4 132 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 T60511 [0,1,0,0,0,0|3,0,0]=4 133 B10R1.13 CC1=CC=C([C@@H](C)O)C=C1 T50271 [0,1,0,0,0,0|3,0,0]=4 134 B10R1.13 CC1=CN=C(C(=O)O)C=N1 M4677 [0,1,0,0,0,0|2,0,1]=4 135 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 M49667 [0,1,0,0,0,0|2,0,0]=3 136 B10R1.13 CC1=NC=C([C@H](C)O)C=C1 H64312 [0,1,0,0,0,0|2,0,0]=3 137 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 C46751 [0,1,0,0,0,0|3,0,0]=4 138 B10R1.13 CN(C)C1=CC=C(I)C=C1 K46770 [0,1,0,0,0,0|3,0,0]=4 139 B10R1.13 CN(C)C1=CC=C([Mg+])C=C1 D31762 [0,1,0,0,0,0|3,0,0]=4 140 B10R1.13 CN(C)C1=CN=C(Br)C=C1 B46285 [0,1,0,0,0,0|2,0,0]=3 141 B10R1.13 CN(C)C1=CN=C(Br)C=N1 B43265 [0,1,0,0,0,0|1,0,0]=2 142 B10R1.13 CN(C)C1=CN=C(Cl)C=C1 C46302 [0,1,0,0,0,0|2,0,0]=3 143 B10R1.13 CN(C)C1=NC=C(Br)C=C1 B3355 [0,1,0,0,0,0|2,0,0]=3 144 B10R1.13 CN(C)C1=NC=C(Br)C=N1 B43267 [0,1,0,0,0,0|3,0,0]=4 145 B10R1.13 CN(C)C1=NC=C(I)C=C1 K46311 [0,1,0,0,0,0|2,0,0]=3 146 B10R1.13 CN(C)C1=NC=C(N)C=C1 A12270 [0,1,0,0,0,0|2,0,0]=3 147 B10R1.13 CN(C)C1=NC=C(N)C=N1 D41446 [0,1,0,0,0,0|3,0,0]=4 148 B10R1.13 CN(C)C1=NN=C(Cl)C=C1 C43282 [0,1,0,0,0,0|3,0,0]=4 149 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 B38580 [0,1,0,0,0,0|3,0,0]=4 150 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 C64533 [0,1,0,0,0,0|3,0,0]=4 151 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 F46766 [0,1,0,0,0,0|3,0,0]=4 152 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 F49509 [0,1,0,0,0,0|3,0,0]=4 153 B10R1.13 C[C@@H](N)C1=CN=C(Br)C=C1 B63698 [0,1,0,0,0,0|2,0,0]=3 154 B10R1.13 C[C@@H](N)C1=NC=C(F)C=C1 F46566 [0,1,0,0,0,0|2,0,0]=3 155 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 B49428 [0,1,0,0,0,0|3,0,0]=4 156 B10R1.13 C[C@@H](O)C1=CC=C(Cl)C=C1 C49454 [0,1,0,0,0,0|3,0,0]=4 157 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 F49461 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.13 C[C@H](Br)C1=CC=C(F)C=C1 B36983 [0,1,0,0,0,0|3,0,0]=4 159 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 B46724 [0,1,0,0,0,0|3,0,0]=4 160 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 B46735 [0,1,0,0,0,0|3,0,0]=4 161 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 B65383 [0,1,0,0,0,0|3,0,0]=4 162 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 F36974 [0,1,0,0,0,0|3,0,0]=4 163 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 F64415 [0,1,0,0,0,0|3,0,0]=4 164 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 K46768 [0,1,0,0,0,0|3,0,0]=4 165 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 K46771 [0,1,0,0,0,0|3,0,0]=4 166 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 A46957 [0,1,0,0,0,0|3,0,0]=4 167 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 B46292 [0,1,0,0,0,0|2,0,0]=3 168 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 B46296 [0,1,0,0,0,0|2,0,0]=3 169 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 F0635 [0,1,0,0,0,0|2,0,0]=3 170 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 F46612 [0,1,0,0,0,0|2,0,0]=3 171 B10R1.13 C[C@H](N)C1=NC=C(F)C=N1 F14039 [0,1,0,0,0,0|3,0,0]=4 172 B10R1.13 C[C@H](N)C1=NC=C(F)C=N1 F29648 [0,1,0,0,0,0|3,0,0]=4 173 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 B49431 [0,1,0,0,0,0|3,0,0]=4 174 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 C49442 [0,1,0,0,0,0|3,0,0]=4 175 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 C49449 [0,1,0,0,0,0|3,0,0]=4 176 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 F49463 [0,1,0,0,0,0|3,0,0]=4 177 B10R1.13 C[C@H](O)C1=CC=C(O)C=C1 H46826 [0,1,0,0,0,0|3,0,0]=4 178 B10R1.13 FC(F)C1=NC=C(Br)C=C1 B28701 [0,1,0,0,0,0|3,0,0]=4 179 B10R1.13 NC(=O)C1=CN=C(Br)C=N1 B40806 [0,1,0,0,0,0|2,0,1]=4 180 B10R1.13 NC(=O)C1=NC=C(N)N=C1 A41099 [0,1,0,0,0,0|2,0,1]=4 181 B10R1.13 NC1=CN=C(C(=O)O)C=N1 A14591 [0,1,0,0,0,0|2,0,1]=4 182 B10R1.13 NC1=CN=C(C(F)F)C=C1 D36896 [0,1,0,0,0,0|3,0,0]=4 183 B10R1.13 O=C(O)C1=CN=C(Br)C=N1 B26010 [0,1,0,0,0,0|2,0,1]=4 184 B10R1.13 O=C(O)C1=CN=C(Cl)C=N1 C7535 [0,1,0,0,0,0|2,0,1]=4 185 B10R1.13 O=C(O)C1=NC=C(O)N=C1 H12388 [0,1,0,0,0,0|2,0,1]=4 186 B10R1.13 O=[N+]([O-])C1=CN=C(Br)C=N1 B40008 [0,1,0,0,0,0|3,0,0]=4 187 B10R1.13 OC1=CN=C(C(F)F)C=C1 D43514 [0,1,0,0,0,0|3,0,0]=4 188 B10R1.15 C#C[C@@H](C)C1=CC=CC=C1 B64382 [0,1,0,0,0,0|2,0,1]=4 189 B10R1.15 CCC(=O)C1=CN=CC=C1 P49262 [0,1,0,0,0,0|2,0,1]=4 190 B10R1.15 CCC(=O)C1=NC=CN=C1 P14589 [0,1,0,0,0,0|1,0,1]=3 191 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 P39004 [0,1,0,0,0,0|3,0,0]=4 192 B10R1.15 CC[C@@H](N)C1=NC=CC=C1 P49666 [0,1,0,0,0,0|2,0,0]=3 193 B10R1.15 CC[C@H](N)C1=CC=CN=C1 P46964 [0,1,0,0,0,0|2,0,0]=3 194 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P14590 [0,1,0,0,0,0|1,0,0]=2 195 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P27649 [0,1,0,0,0,0|1,0,0]=2 196 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M50312 [0,1,0,0,0,0|2,0,0]=3 197 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M52164 [0,1,0,0,0,0|2,0,0]=3 198 B10R1.15 COC(=O)C1=NC=CC=C1 M28469 [0,1,0,0,0,0|2,0,1]=4 199 B10R1.15 COC(=O)C1=NC=CN=C1 M2717 [0,1,0,0,0,0|1,0,1]=3 200 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P37912 [0,1,0,0,0,0|2,0,0]=3 201 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P39584 [0,1,0,0,0,0|2,0,0]=3 202 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P60945 [0,1,0,0,0,0|2,0,0]=3 203 B10R1.15 C[C@@H](NO)C1=CC=CC=C1 P10845 [0,1,0,0,0,0|3,0,0]=4 204 B10R1.15 C\C(=N\O)C1=NC=CC=C1 M66365 [0,1,0,0,0,0|2,0,1]=4 205 B10R1.15 F[C@@H](CBr)C1=CC=CC=C1 B48763 [0,1,0,0,0,0|3,0,0]=4 206 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 A67914 [0,1,0,0,0,0|3,0,0]=4 207 B10R1.15 NC[C@@H](O)C1=CN=CC=C1 A46466 [0,1,0,0,0,0|2,0,0]=3 208 B10R1.15 NC[C@H](N)C1=CC=CC=C1 P49663 [0,1,0,0,0,0|3,0,0]=4 209 B10R1.15 NC[C@H](O)C1=NC=CC=C1 A46589 [0,1,0,0,0,0|2,0,0]=3 210 B10R1.15 NNC(=O)C1=NC=CN=C1 P67570 [0,1,0,0,0,0|2,0,1]=4 211 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 A67686 [0,1,0,0,0,0|3,0,0]=4 212 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 P39434 [0,1,0,0,0,0|3,0,0]=4 213 B10R1.15 N[C@H](CO)C1=CC=CC=C1 A37812 [0,1,0,0,0,0|3,0,0]=4 214 B10R1.15 O=C(CBr)C1=CN=CC=C1 B68250 [0,1,0,0,0,0|2,0,1]=4 215 B10R1.15 O=C(CBr)C1=NC=CC=C1 B45477 [0,1,0,0,0,0|2,0,1]=4 216 B10R1.15 O=C(CBr)C1=NC=CN=C1 B42452 [0,1,0,0,0,0|1,0,1]=3 217 B10R1.15 O=C(CCl)C1=CN=CC=C1 C45489 [0,1,0,0,0,0|2,0,1]=4 218 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 P46829 [0,1,0,0,0,0|3,0,0]=4 219 B10R1.15 OC[C@H](O)C1=CC=CC=C1 P46828 [0,1,0,0,0,0|3,0,0]=4 220 B10R1.15 O[C@@H](CCl)C1=CC=CC=C1 C49445 [0,1,0,0,0,0|3,0,0]=4 221 B10R1.28 CC(C)(N)C1=CC=CC=C1 P32201 [0,1,0,0,0,0|2,0,0]=3 222 B10R1.28 CC(C)(N)C1=NC=CC=C1 P32222 [0,1,0,0,0,0|1,0,0]=2 223 B10R1.28 CC(C)(O)C1=CC=CC=C1 P24569 [0,1,0,0,0,0|2,0,0]=3 224 B10R1.28 CC(C)(O)C1=CN=CC=C1 P46904 [0,1,0,0,0,0|1,0,0]=2 225 B10R1.28 CC(C)(O)C1=NC=CC=C1 P38223 [0,1,0,0,0,0|1,0,0]=2 226 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 T68550 [0,1,0,0,0,0|3,0,0]=4 227 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 T69020 [0,1,0,0,0,0|3,0,0]=4 228 B10R1.28 C[Si](C)(C)C1=NC=CC=C1 T2828 [0,1,0,0,0,0|1,1,0]=3 229 B10R1.28 FC(F)(F)C1=CN=CC=C1 T28463 [0,1,0,0,0,0|3,0,0]=4 230 B10R1.28 FC(F)(F)C1=NC=CN=C1 T69096 [0,1,0,0,0,0|2,0,0]=3 231 B10R1.61 CC(=O)C1=C(Br)C=CC=N1 B45470 [0,1,0,0,0,0|2,0,1]=4 232 B10R1.61 CC(=O)C1=C(C)N=CC=C1 M21788 [0,1,0,0,0,0|2,0,1]=4 233 B10R1.61 CC(=O)C1=C(Cl)C=CC=N1 A11386 [0,1,0,0,0,0|2,0,1]=4 234 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 C16933 [0,1,0,0,0,0|2,0,1]=4 235 B10R1.61 CC(=O)C1=C(F)C=CC=N1 A12617 [0,1,0,0,0,0|2,0,1]=4 236 B10R1.61 CC(=O)C1=C(N)N=CC=C1 A45979 [0,1,0,0,0,0|2,0,1]=4 237 B10R1.61 CC(=O)C1=CC=CN=C1Br A13535 [0,1,0,0,0,0|2,0,1]=4 238 B10R1.61 CC(=O)C1=CC=CN=C1Cl A12691 [0,1,0,0,0,0|2,0,1]=4 239 B10R1.61 CC(=O)C1=CC=CN=C1F A45493 [0,1,0,0,0,0|2,0,1]=4 240 B10R1.61 CC(=O)C1=NC=CC=C1O H37046 [0,1,0,0,0,0|2,0,1]=4 241 B10R1.61 CC(=O)C1=NC=CN=C1C M45981 [0,1,0,0,0,0|1,0,1]=3 242 B10R1.61 CC(=O)C1=NC=CN=C1Cl A11547 [0,1,0,0,0,0|1,0,1]=3 243 B10R1.61 CC(=O)C1=NC=CN=C1N A14612 [0,1,0,0,0,0|1,0,1]=3 244 B10R1.61 CC(C)C1=C(Br)C=CC=C1 B49961 [0,1,0,0,0,0|2,0,0]=3 245 B10R1.61 CC(C)C1=C(I)C=CC=C1 K49972 [0,1,0,0,0,0|2,0,0]=3 246 B10R1.61 CC(C)C1=C(N)C=CN=C1 P46960 [0,1,0,0,0,0|1,0,0]=2 247 B10R1.61 CC(C)C1=C([Mg+])C=CC=C1 P31757 [0,1,0,0,0,0|2,0,0]=3 248 B10R1.61 CC(C)C1=CC=CN=C1Br B32081 [0,1,0,0,0,0|1,0,0]=2 249 B10R1.61 CC(C)C1=CC=CN=C1Cl C36678 [0,1,0,0,0,0|1,0,0]=2 250 B10R1.61 CC(C)C1=CN=CN=C1Cl C37692 [0,1,0,0,0,0|2,0,0]=3 251 B10R1.61 CC(C)C1=NC=CC=C1N P46959 [0,1,0,0,0,0|1,0,0]=2 252 B10R1.61 CC1=C([C@@H](C)N)C=CC=C1 T52160 [0,1,0,0,0,0|3,0,0]=4 253 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 T52162 [0,1,0,0,0,0|3,0,0]=4 254 B10R1.61 CC1=NC=CN=C1C(=O)O M7738 [0,1,0,0,0,0|2,0,1]=4 255 B10R1.61 CN(C)C1=C(Br)C=CC=C1 B46731 [0,1,0,0,0,0|3,0,0]=4 256 B10R1.61 CN(C)C1=C(Cl)C=CC=C1 C46747 [0,1,0,0,0,0|3,0,0]=4 257 B10R1.61 CN(C)C1=C(N)C=CC=C1 D68123 [0,1,0,0,0,0|3,0,0]=4 258 B10R1.61 CN(C)C1=C(O)C=CC=C1 D23348 [0,1,0,0,0,0|3,0,0]=4 259 B10R1.61 CN(C)C1=NC=CN=C1Cl C43272 [0,1,0,0,0,0|1,0,0]=2 260 B10R1.61 CN(C)C1=NC=CN=C1N A41445 [0,1,0,0,0,0|1,0,0]=2 261 B10R1.61 C[C@@H](N)C1=C(Br)C=CC=C1 B37416 [0,1,0,0,0,0|3,0,0]=4 262 B10R1.61 C[C@@H](N)C1=C(Br)C=CC=C1 B46741 [0,1,0,0,0,0|3,0,0]=4 263 B10R1.61 C[C@@H](N)C1=C(F)C=CC=C1 F46764 [0,1,0,0,0,0|3,0,0]=4 264 B10R1.61 C[C@@H](N)C1=C(F)C=CC=C1 F49507 [0,1,0,0,0,0|3,0,0]=4 265 B10R1.61 C[C@@H](O)C1=C(Br)C=CC=C1 B25268 [0,1,0,0,0,0|3,0,0]=4 266 B10R1.61 C[C@@H](O)C1=C(Cl)C=CC=C1 C49446 [0,1,0,0,0,0|3,0,0]=4 267 B10R1.61 C[C@@H](O)C1=C(F)C=CC=C1 F49460 [0,1,0,0,0,0|3,0,0]=4 268 B10R1.61 C[C@H](Br)C1=C(F)C=CC=C1 B48765 [0,1,0,0,0,0|3,0,0]=4 269 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 B19470 [0,1,0,0,0,0|3,0,0]=4 270 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 B46723 [0,1,0,0,0,0|3,0,0]=4 271 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 B46742 [0,1,0,0,0,0|3,0,0]=4 272 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 C46756 [0,1,0,0,0,0|3,0,0]=4 273 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 F46760 [0,1,0,0,0,0|3,0,0]=4 274 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 F49510 [0,1,0,0,0,0|3,0,0]=4 275 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 F64880 [0,1,0,0,0,0|3,0,0]=4 276 B10R1.61 C[C@H](O)C1=C(Br)C=CC=C1 B49429 [0,1,0,0,0,0|3,0,0]=4 277 B10R1.61 C[C@H](O)C1=C(Br)C=CC=N1 B37274 [0,1,0,0,0,0|2,0,0]=3 278 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 C49448 [0,1,0,0,0,0|3,0,0]=4 279 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 C66089 [0,1,0,0,0,0|3,0,0]=4 280 B10R1.61 C[C@H](O)C1=C(F)C=CC=C1 F49462 [0,1,0,0,0,0|3,0,0]=4 281 B10R1.61 C[C@H](O)C1=C(N)N=CC=C1 A65242 [0,1,0,0,0,0|2,0,0]=3 282 B10R1.61 C[C@H](O)C1=CC=CN=C1Cl C46191 [0,1,0,0,0,0|2,0,0]=3 283 B10R1.61 FC(F)C1=C(Br)C=CC=N1 B42218 [0,1,0,0,0,0|3,0,0]=4 284 B10R1.61 FC(F)C1=CC=CN=C1Br B42217 [0,1,0,0,0,0|3,0,0]=4 285 B10R1.61 NC(=O)C1=NC=CN=C1Br B61986 [0,1,0,0,0,0|2,0,1]=4 286 B10R1.61 NC(=O)C1=NC=CN=C1Cl C40808 [0,1,0,0,0,0|2,0,1]=4 287 B10R1.61 NC(=O)C1=NC=CN=C1N A41098 [0,1,0,0,0,0|2,0,1]=4 288 B10R1.61 NC(=O)C1=NC=CN=C1O H37958 [0,1,0,0,0,0|2,0,1]=4 289 B10R1.61 NC(=O)C1=NC=CN=C1[O-] S65958 [0,1,0,0,0,0|2,0,1]=4 290 B10R1.61 NC1=C(C(F)F)C=CC=N1 D42768 [0,1,0,0,0,0|3,0,0]=4 291 B10R1.61 NC1=NC=CN=C1C(=O)O A69313 [0,1,0,0,0,0|2,0,1]=4 292 B10R1.61 O=C(O)C1=NC=CN=C1Br B40577 [0,1,0,0,0,0|2,0,1]=4 293 B10R1.61 O=C(O)C1=NC=CN=C1Cl C10353 [0,1,0,0,0,0|2,0,1]=4 294 B10R1.61 O=C(O)C1=NC=CN=C1I K40592 [0,1,0,0,0,0|2,0,1]=4 295 B10R1.61 O=[N+]([O-])C1=NC=CN=C1Cl C9778 [0,1,0,0,0,0|3,0,0]=4 296 B10R1.113 C=C(C)C1=CC(Br)=CN=C1 B48877 [0,1,0,0,0,0|1,0,2]=4 297 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 A12880 [0,1,0,0,0,0|2,0,1]=4 298 B10R1.113 CC(=O)C1=CC(F)=CN=C1 F45496 [0,1,0,0,0,0|2,0,1]=4 299 B10R1.113 CC(=O)C1=CC=CC(Br)=N1 A45468 [0,1,0,0,0,0|2,0,1]=4 300 B10R1.113 CC(=O)C1=CC=CC(Cl)=N1 C45483 [0,1,0,0,0,0|2,0,1]=4 301 B10R1.113 CC(=O)C1=CC=CC(F)=N1 F45497 [0,1,0,0,0,0|2,0,1]=4 302 B10R1.113 CC(=O)C1=CN=CC(C)=C1 M63719 [0,1,0,0,0,0|2,0,1]=4 303 B10R1.113 CC(=O)C1=NC(C)=CC=C1 A49259 [0,1,0,0,0,0|2,0,1]=4 304 B10R1.113 CC(=O)C1=NC(N)=CC=C1 A37132 [0,1,0,0,0,0|2,0,1]=4 305 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 B45471 [0,1,0,0,0,0|2,0,1]=4 306 B10R1.113 CC(=O)C1=NC=CC(C)=C1 M4575 [0,1,0,0,0,0|2,0,1]=4 307 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 C61244 [0,1,0,0,0,0|2,0,1]=4 308 B10R1.113 CC(C)C1=CC(Br)=CN=C1 B32128 [0,1,0,0,0,0|1,0,0]=2 309 B10R1.113 CC(C)C1=CC(Br)=NC=C1 B46727 [0,1,0,0,0,0|3,0,0]=4 310 B10R1.113 CC(C)C1=CC=CC(Br)=C1 B49962 [0,1,0,0,0,0|2,0,0]=3 311 B10R1.113 CC(C)C1=CC=CC(Br)=N1 B46729 [0,1,0,0,0,0|1,0,0]=2 312 B10R1.113 CC(C)C1=CC=CC(Cl)=N1 C37539 [0,1,0,0,0,0|1,0,0]=2 313 B10R1.113 CC(C)C1=CC=CC(N)=C1 P50307 [0,1,0,0,0,0|2,0,0]=3 314 B10R1.113 CC(C)C1=CC=CC([Mg+])=C1 P31758 [0,1,0,0,0,0|2,0,0]=3 315 B10R1.113 CC(C)C1=CN=CC(N)=C1 I32297 [0,1,0,0,0,0|1,0,0]=2 316 B10R1.113 CC(C)C1=NC=CC(Br)=C1 B63808 [0,1,0,0,0,0|1,0,0]=2 317 B10R1.113 CC(C)C1=NC=CC(Cl)=C1 C39059 [0,1,0,0,0,0|1,0,0]=2 318 B10R1.113 CC1=CC=CC(N(C)C)=C1 T39548 [0,1,0,0,0,0|3,0,0]=4 319 B10R1.113 CC1=CC=CC([C@@H](C)N)=C1 T50311 [0,1,0,0,0,0|3,0,0]=4 320 B10R1.113 CC1=CC=CC([C@@H](C)N)=C1 T52159 [0,1,0,0,0,0|3,0,0]=4 321 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 T50309 [0,1,0,0,0,0|3,0,0]=4 322 B10R1.113 CC1=CN=CC(C(=O)O)=N1 M10680 [0,1,0,0,0,0|2,0,1]=4 323 B10R1.113 CC1=CN=CC(C(N)=O)=N1 M43097 [0,1,0,0,0,0|2,0,1]=4 324 B10R1.113 CN(C)C1=CC(=O)NN=C1 D43551 [0,1,0,0,0,0|3,0,0]=4 325 B10R1.113 CN(C)C1=CC(Cl)=NC=N1 C43283 [0,1,0,0,0,0|3,0,0]=4 326 B10R1.113 CN(C)C1=CC(N)=CC=C1 D49538 [0,1,0,0,0,0|3,0,0]=4 327 B10R1.113 CN(C)C1=CC(N)=CC=C1 D49665 [0,1,0,0,0,0|3,0,0]=4 328 B10R1.113 CN(C)C1=CC=CC(Br)=C1 B68052 [0,1,0,0,0,0|3,0,0]=4 329 B10R1.113 CN(C)C1=CC=CC(F)=C1 F46763 [0,1,0,0,0,0|3,0,0]=4 330 B10R1.113 CN(C)C1=CC=CC([Mg+])=C1 D31761 [0,1,0,0,0,0|3,0,0]=4 331 B10R1.113 CN(C)C1=CN=CC(Cl)=N1 C43273 [0,1,0,0,0,0|1,0,0]=2 332 B10R1.113 CN(C)C1=CN=CC(I)=N1 D2672 [0,1,0,0,0,0|1,0,0]=2 333 B10R1.113 CN(C)C1=NC=CC(Br)=C1 B46282 [0,1,0,0,0,0|2,0,0]=3 334 B10R1.113 CN(C)C1=NC=CC(Br)=N1 B9089 [0,1,0,0,0,0|3,0,0]=4 335 B10R1.113 CN(C)C1=NC=CC(Cl)=N1 C43278 [0,1,0,0,0,0|3,0,0]=4 336 B10R1.113 C[C@@H](N)C1=CC=CC(Br)=C1 B46734 [0,1,0,0,0,0|3,0,0]=4 337 B10R1.113 C[C@@H](N)C1=CC=CC(Br)=N1 B46291 [0,1,0,0,0,0|2,0,0]=3 338 B10R1.113 C[C@@H](N)C1=CC=CC(F)=C1 F46765 [0,1,0,0,0,0|3,0,0]=4 339 B10R1.113 C[C@@H](N)C1=CC=CC(F)=C1 F49508 [0,1,0,0,0,0|3,0,0]=4 340 B10R1.113 C[C@@H](N)C1=CC=CC(F)=N1 F46611 [0,1,0,0,0,0|2,0,0]=3 341 B10R1.113 C[C@@H](N)C1=CC=CC(O)=C1 A49524 [0,1,0,0,0,0|3,0,0]=4 342 B10R1.113 C[C@@H](O)C1=CC=CC(Cl)=C1 C49447 [0,1,0,0,0,0|3,0,0]=4 343 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 F46567 [0,1,0,0,0,0|2,0,0]=3 344 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 B46739 [0,1,0,0,0,0|3,0,0]=4 345 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 B46743 [0,1,0,0,0,0|3,0,0]=4 346 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 B64158 [0,1,0,0,0,0|3,0,0]=4 347 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 C46299 [0,1,0,0,0,0|2,0,0]=3 348 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 F46761 [0,1,0,0,0,0|3,0,0]=4 349 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 F49511 [0,1,0,0,0,0|3,0,0]=4 350 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 F46568 [0,1,0,0,0,0|2,0,0]=3 351 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 A46961 [0,1,0,0,0,0|3,0,0]=4 352 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 A64155 [0,1,0,0,0,0|3,0,0]=4 353 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 A64991 [0,1,0,0,0,0|3,0,0]=4 354 B10R1.113 C[C@H](O)C1=CC(N)=CC=C1 A46893 [0,1,0,0,0,0|3,0,0]=4 355 B10R1.113 C[C@H](O)C1=CC=CC(Br)=C1 B49430 [0,1,0,0,0,0|3,0,0]=4 356 B10R1.113 C[C@H](O)C1=CC=CC(Br)=N1 B37443 [0,1,0,0,0,0|2,0,0]=3 357 B10R1.113 C[C@H](O)C1=NC=CC(Cl)=C1 C46192 [0,1,0,0,0,0|2,0,0]=3 358 B10R1.113 FC(F)C1=CC=CC(Br)=N1 B38710 [0,1,0,0,0,0|3,0,0]=4 359 B10R1.113 FC(F)C1=NC=CC(Br)=C1 B42219 [0,1,0,0,0,0|3,0,0]=4 360 B10R1.113 NC(=O)C1=CN=CC(Cl)=N1 C40809 [0,1,0,0,0,0|2,0,1]=4 361 B10R1.113 NC1=CC(C(F)F)=NC=C1 D43518 [0,1,0,0,0,0|3,0,0]=4 362 B10R1.113 NC1=CC(C(F)F)=NC=C1 D63827 [0,1,0,0,0,0|3,0,0]=4 363 B10R1.113 NC1=CC=CC(C(F)F)=N1 D42769 [0,1,0,0,0,0|3,0,0]=4 364 B10R1.113 NC1=CN=CC(C(=O)O)=N1 A40967 [0,1,0,0,0,0|2,0,1]=4 365 B10R1.113 O=C(O)C1=CN=CC(Br)=N1 B32134 [0,1,0,0,0,0|2,0,1]=4 366 B10R1.113 O=C(O)C1=CN=CC(Cl)=N1 C0341 [0,1,0,0,0,0|2,0,1]=4 367 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 P68601 [0,0,0,1,0,0|3,0,0]=4 368 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 P68362 [0,0,0,1,0,0|3,0,0]=4 369 B10R2.6 C1=CN=C(C2CC2)N=C1 C14647 [0,0,0,1,0,0|2,0,0]=3 370 B10R2.320 Br[C@H]1CC2=C1C=CC=C2 B68954 [0,0,0,1,0,0|3,0,0]=4 371 B8R1.7 CC(=O)C1=CC=CN1 P68619 [0,0,0,0,1,0|1,0,2]=4 372 B8R1.7 CC(=O)C1=CC=CS1 A69304 [0,0,0,0,1,0|2,0,1]=4 373 B8R1.7 CC(=O)C1=CC=NN1 P61226 [0,0,0,0,1,0|2,0,1]=4 374 B8R1.7 CC(=O)C1=CC=NO1 K40990 [0,0,0,0,1,0|2,0,1]=4 375 B8R1.7 CC(=O)C1=CNC=C1 A37548 [0,0,0,0,1,0|1,0,2]=4 376 B8R1.7 CC(=O)C1=CNC=N1 A41019 [0,0,0,0,1,0|1,0,2]=4 377 B8R1.7 CC(=O)C1=CNN=C1 P22638 [0,0,0,0,1,0|2,0,1]=4 378 B8R1.7 CC(=O)C1=CSC=C1 A12828 [0,0,0,0,1,0|2,0,1]=4 379 B8R1.7 CC(=O)C1=CSC=N1 T41006 [0,0,0,0,1,0|2,0,1]=4 380 B8R1.7 CC(=O)C1=NC=CN1 K67604 [0,0,0,0,1,0|1,0,2]=4 381 B8R1.7 CC(=O)C1=NC=CS1 A22587 [0,0,0,0,1,0|2,0,1]=4 382 B8R1.7 CC(=O)C1=NOC=C1 K40989 [0,0,0,0,1,0|2,0,1]=4 383 B8R1.7 CC(=O)N1C=CN=C1 I37940 [0,0,0,0,1,0|2,0,1]=4 384 B8R1.7 CC(C)C1=CC=CO1 P43710 [0,0,0,0,1,0|1,0,0]=2 385 B8R1.7 CC(C)C1=NC=CN1 P67407 [0,0,0,0,1,0|0,0,1]=2 386 B8R1.7 CC(C)C1=NNC=C1 P9834 [0,0,0,0,1,0|1,0,0]=2 387 B8R1.7 CC(C)N1C=CC=N1 P41426 [0,0,0,0,1,0|1,0,0]=2 388 B8R1.7 CC(C)N1C=CN=N1 P41243 [0,0,0,0,1,0|2,0,0]=3 389 B8R1.7 C[C@@H](N)C1=CC=CS1 T43397 [0,0,0,0,1,0|2,0,0]=3 390 B8R1.7 C[C@@H](O)C1=CC=CO1 F43302 [0,0,0,0,1,0|2,0,0]=3 391 B8R1.7 C[C@H](N)C1=CC=CS1 T43555 [0,0,0,0,1,0|2,0,0]=3 392 B8R1.7 C[C@H](N)C1=CN=CN1 K62106 [0,0,0,0,1,0|1,0,1]=3 393 B8R1.7 C[C@H](N)C1=CNC=N1 K41398 [0,0,0,0,1,0|1,0,1]=3 394 B8R1.7 C[C@H](N)C1=NC=CS1 T41204 [0,0,0,0,1,0|2,0,0]=3 395 B8R1.7 C[C@H](N)C1=NC=CS1 T5352 [0,0,0,0,1,0|2,0,0]=3 396 B8R1.7 FC(F)C1=CNN=C1 D32357 [0,0,0,0,1,0|3,0,0]=4 397 B10R1.18 CC(=O)CC1=NC=CC=C1 P15826 [0,0,0,0,0,1|2,0,1]=4 398 B10R1.18 CC(=O)NC1=CN=CC=C1 P63567 [0,0,0,0,0,1|2,0,1]=4 399 B10R1.18 CC(C)=CC1=CC=CC=C1 M52675 [0,0,0,0,0,1|2,0,1]=4 400 B10R1.18 CC(C)NC1=CC=CC=C1 P69278 [0,0,0,0,0,1|2,0,0]=3 401 B10R1.18 CC(C)NC1=NC=CC=N1 I39098 [0,0,0,0,0,1|2,0,0]=3 402 B10R1.18 CC(C)OC1=CN=CC=C1 P46891 [0,0,0,0,0,1|1,0,0]=2 403 B10R1.18 CC(C)OC1=NC=CC=C1 P46890 [0,0,0,0,0,1|1,0,0]=2 404 B10R1.18 NC(=O)NC1=NC=CN=C1 P41097 [0,0,0,0,0,1|2,0,1]=4 405 B10R1.18 O=C(O)CC1=NC=CN=C1 P12241 [0,0,0,0,0,1|2,0,1]=4 406 B7R1.3 BrC1=CN=CC=C1 B2746 [2,0,0,0,0,0|2,0,0]=4 407 B7R1.3 BrC1=NC=CN=C1 B40020 [2,0,0,0,0,0|1,0,0]=3 408 B7R1.3 CC1=CC=CN=N1 M0216 [2,0,0,0,0,0|2,0,0]=4 409 B7R1.3 CC1=CN=CN=C1 M41018 [2,0,0,0,0,0|2,0,0]=4 410 B7R1.3 CC1=CN=NC=C1 M3532 [2,0,0,0,0,0|2,0,0]=4 411 B7R1.3 CC1=NC=CC=N1 M68916 [2,0,0,0,0,0|2,0,0]=4 412 B7R1.3 CC1=NC=CN=C1 M61917 [2,0,0,0,0,0|0,0,0]=2 413 B7R1.3 CC1=NC=CN=N1 M36785 [2,0,0,0,0,0|1,0,0]=3 414 B7R1.3 CC1=NC=NC=C1 M7491 [2,0,0,0,0,0|2,0,0]=4 415 B7R1.3 ClC1=CN=CC=C1 C68367 [2,0,0,0,0,0|2,0,0]=4 416 B7R1.3 ClC1=NC=CN=C1 C5165 [2,0,0,0,0,0|1,0,0]=3 417 B7R1.3 FC1=CN=CC=C1 F1892 [2,0,0,0,0,0|2,0,0]=4 418 B7R1.3 FC1=NC=CC=C1 F4862 [2,0,0,0,0,0|2,0,0]=4 419 B7R1.3 FC1=NC=CN=C1 F40023 [2,0,0,0,0,0|1,0,0]=3 420 B7R1.3 IC1=CN=CC=C1 I16635 [2,0,0,0,0,0|2,0,0]=4 421 B7R1.3 IC1=NC=CC=C1 K67594 [2,0,0,0,0,0|2,0,0]=4 422 B7R1.3 IC1=NC=CN=C1 I2669 [2,0,0,0,0,0|1,0,0]=3 423 B7R1.3 NC1=NC=CC=C1 A23973 [2,0,0,0,0,0|2,0,0]=4 424 B7R1.3 NC1=NC=CN=C1 A15535 [2,0,0,0,0,0|1,0,0]=3 425 B7R1.3 NC1=NC=CN=N1 T67661 [2,0,0,0,0,0|2,0,0]=4 426 B7R1.3 O=C1C=NC=CN1 H68630 [2,0,0,0,0,0|1,0,1]=4 427 B7R1.3 OC1=NC=CC=C1 P61113 [2,0,0,0,0,0|2,0,0]=4 428 B7R1.3 [Mg+]C1=CN=CC=C1 P8350 [2,0,0,0,0,0|2,0,0]=4 429 B7R1.3 [Mg+]C1=NC=CC=C1 P8351 [2,0,0,0,0,0|2,0,0]=4 430 B9R1.1 BrCC1=NC=C(Br)C=C1 B42521 [1,1,0,0,0,0|2,0,0]=4 431 B9R1.1 CC1=CN=C(C#N)C=N1 M42468 [1,1,0,0,0,0|1,0,1]=4 432 B9R1.1 CC1=CN=C(C=O)C=N1 M14618 [1,1,0,0,0,0|1,0,1]=4 433 B9R1.1 CC1=CN=C(CCl)C=C1 C46107 [1,1,0,0,0,0|2,0,0]=4 434 B9R1.1 CC1=CN=C(CCl)C=N1 C11548 [1,1,0,0,0,0|1,0,0]=3 435 B9R1.1 CC1=CN=C(CCl)C=N1 C43004 [1,1,0,0,0,0|1,0,0]=3 436 B9R1.1 CC1=CN=C(CN)C=C1 M43622 [1,1,0,0,0,0|2,0,0]=4 437 B9R1.1 CC1=CN=C(CN)C=C1 M46461 [1,1,0,0,0,0|2,0,0]=4 438 B9R1.1 CC1=CN=C(CN)C=N1 A3139 [1,1,0,0,0,0|1,0,0]=3 439 B9R1.1 CC1=CN=C(CO)C=N1 M43210 [1,1,0,0,0,0|1,0,0]=3 440 B9R1.1 CC1=NC=C(CBr)C=C1 B46089 [1,1,0,0,0,0|2,0,0]=4 441 B9R1.1 CC1=NC=C(CCl)C=C1 C46111 [1,1,0,0,0,0|2,0,0]=4 442 B9R1.1 CC1=NC=C(CN)C=C1 M0572 [1,1,0,0,0,0|2,0,0]=4 443 B9R1.1 CC1=NC=C(CO)C=C1 M15722 [1,1,0,0,0,0|2,0,0]=4 444 B9R1.1 CCC1=CC=C(Br)C=C1 B68945 [1,1,0,0,0,0|2,0,0]=4 445 B9R1.1 CCC1=CC=C(Cl)C=C1 C49160 [1,1,0,0,0,0|2,0,0]=4 446 B9R1.1 CCC1=CC=C(I)C=C1 E49167 [1,1,0,0,0,0|2,0,0]=4 447 B9R1.1 CCC1=CC=C([Mg+])C=C1 E31741 [1,1,0,0,0,0|2,0,0]=4 448 B9R1.1 CCC1=CN=C(Cl)C=C1 C26331 [1,1,0,0,0,0|1,0,0]=3 449 B9R1.1 CCC1=CN=C(Cl)N=C1 E11897 [1,1,0,0,0,0|2,0,0]=4 450 B9R1.1 CCC1=CN=C(N)C=C1 E43600 [1,1,0,0,0,0|1,0,0]=3 451 B9R1.1 CCC1=CN=C(N)N=C1 E28664 [1,1,0,0,0,0|2,0,0]=4 452 B9R1.1 CCC1=NC=C(Br)C=C1 B1614 [1,1,0,0,0,0|1,0,0]=3 453 B9R1.1 CCC1=NC=C(Br)C=N1 B36933 [1,1,0,0,0,0|2,0,0]=4 454 B9R1.1 CCC1=NC=C(Cl)C=C1 C46096 [1,1,0,0,0,0|1,0,0]=3 455 B9R1.1 CCC1=NC=C(N)C=C1 E43602 [1,1,0,0,0,0|1,0,0]=3 456 B9R1.1 CCC1=NC=C(N)C=N1 A11320 [1,1,0,0,0,0|2,0,0]=4 457 B9R1.1 CNC1=CN=C(C)C=C1 D43616 [1,1,0,0,0,0|2,0,0]=4 458 B9R1.1 CNC1=NC=C(Br)C=C1 B42975 [1,1,0,0,0,0|2,0,0]=4 459 B9R1.1 CNC1=NC=C(C)C=C1 D43614 [1,1,0,0,0,0|2,0,0]=4 460 B9R1.1 CNC1=NC=C(F)C=C1 F32100 [1,1,0,0,0,0|2,0,0]=4 461 B9R1.1 CNC1=NC=C(N)C=C1 M43342 [1,1,0,0,0,0|2,0,0]=4 462 B9R1.1 CNC1=NC=C(N)C=C1 M43545 [1,1,0,0,0,0|2,0,0]=4 463 B9R1.1 COC1=CN=C(Br)C=C1 B5045 [1,1,0,0,0,0|2,0,0]=4 464 B9R1.1 COC1=CN=C(Br)C=N1 B14594 [1,1,0,0,0,0|1,0,0]=3 465 B9R1.1 COC1=CN=C(Cl)C=C1 C19386 [1,1,0,0,0,0|2,0,0]=4 466 B9R1.1 COC1=CN=C(Cl)C=N1 C14595 [1,1,0,0,0,0|1,0,0]=3 467 B9R1.1 COC1=CN=C(F)C=C1 F42925 [1,1,0,0,0,0|2,0,0]=4 468 B9R1.1 COC1=CN=C(I)C=C1 I5931 [1,1,0,0,0,0|2,0,0]=4 469 B9R1.1 COC1=CN=C(N)C=C1 A10497 [1,1,0,0,0,0|2,0,0]=4 470 B9R1.1 COC1=NC=C(Br)C=C1 B9550 [1,1,0,0,0,0|2,0,0]=4 471 B9R1.1 COC1=NC=C(C)C=C1 M67554 [1,1,0,0,0,0|2,0,0]=4 472 B9R1.1 COC1=NC=C(Cl)C=C1 C42903 [1,1,0,0,0,0|2,0,0]=4 473 B9R1.1 COC1=NC=C(F)C=C1 F24011 [1,1,0,0,0,0|2,0,0]=4 474 B9R1.1 COC1=NC=C(I)C=C1 K42935 [1,1,0,0,0,0|2,0,0]=4 475 B9R1.1 COC1=NC=C(N)C=C1 A12692 [1,1,0,0,0,0|2,0,0]=4 476 B9R1.1 COC1=NC=C(N)N=C1 M9733 [1,1,0,0,0,0|1,0,0]=3 477 B9R1.1 COC1=NC=C(O)C=C1 H43140 [1,1,0,0,0,0|2,0,0]=4 478 B9R1.1 CSC1=CN=C(Br)C=N1 B40873 [1,1,0,0,0,0|1,0,0]=3 479 B9R1.1 CSC1=CN=C(N)C=C1 A43262 [1,1,0,0,0,0|2,0,0]=4 480 B9R1.1 CSC1=NC=C(Br)C=C1 B2646 [1,1,0,0,0,0|2,0,0]=4 481 B9R1.1 ClC1=CN=C(CBr)C=C1 B42537 [1,1,0,0,0,0|2,0,0]=4 482 B9R1.1 ClCC1=CN=C(Br)C=C1 B42528 [1,1,0,0,0,0|2,0,0]=4 483 B9R1.1 ClCC1=CN=C(Br)C=C1 B42539 [1,1,0,0,0,0|2,0,0]=4 484 B9R1.1 ClCC1=CN=C(Cl)C=N1 C40730 [1,1,0,0,0,0|1,0,0]=3 485 B9R1.1 ClCC1=NC=C(Br)C=C1 B42540 [1,1,0,0,0,0|2,0,0]=4 486 B9R1.1 ClCC1=NC=C(Br)C=C1 B61533 [1,1,0,0,0,0|2,0,0]=4 487 B9R1.1 ClCC1=NC=C(Cl)C=C1 C14676 [1,1,0,0,0,0|2,0,0]=4 488 B9R1.1 ClCC1=NC=C(Cl)C=C1 C42565 [1,1,0,0,0,0|2,0,0]=4 489 B9R1.1 FC1=NC=C(CBr)C=C1 B39061 [1,1,0,0,0,0|2,0,0]=4 490 B9R1.1 FC1=NC=C(CBr)C=C1 B7888 [1,1,0,0,0,0|2,0,0]=4 491 B9R1.1 FC1=NC=C(CCl)C=C1 C7887 [1,1,0,0,0,0|2,0,0]=4 492 B9R1.1 N#CC1=CN=C(Br)C=N1 B3579 [1,1,0,0,0,0|1,0,1]=4 493 B9R1.1 N#CC1=CN=C(Cl)C=N1 C4890 [1,1,0,0,0,0|1,0,1]=4 494 B9R1.1 N#CC1=NC=C(N)N=C1 A3818 [1,1,0,0,0,0|1,0,1]=4 495 B9R1.1 NC1=CN=C(C=O)C=N1 A63812 [1,1,0,0,0,0|1,0,1]=4 496 B9R1.1 NC1=NC=C(CO)C=C1 A0345 [1,1,0,0,0,0|2,0,0]=4 497 B9R1.1 NCC1=CN=C(Br)C=C1 B42976 [1,1,0,0,0,0|2,0,0]=4 498 B9R1.1 NCC1=CN=C(Cl)C=C1 A0585 [1,1,0,0,0,0|2,0,0]=4 499 B9R1.1 NCC1=CN=C(F)C=C1 A13990 [1,1,0,0,0,0|2,0,0]=4 500 B9R1.1 NCC1=NC=C(Br)C=C1 B15775 [1,1,0,0,0,0|2,0,0]=4 501 B9R1.1 NCC1=NC=C(Br)C=C1 B42983 [1,1,0,0,0,0|2,0,0]=4 502 B9R1.1 NCC1=NC=C(Br)C=C1 B7021 [1,1,0,0,0,0|2,0,0]=4 503 B9R1.1 NCC1=NC=C(Cl)C=C1 C43002 [1,1,0,0,0,0|2,0,0]=4 504 B9R1.1 NCC1=NC=C(Cl)C=C1 C43003 [1,1,0,0,0,0|2,0,0]=4 505 B9R1.1 NCC1=NC=C(N)C=C1 A36932 [1,1,0,0,0,0|2,0,0]=4 506 B9R1.1 NNC1=CN=C(Cl)C=N1 C14613 [1,1,0,0,0,0|2,0,0]=4 507 B9R1.1 O=CC1=CN=C(Cl)C=N1 C12389 [1,1,0,0,0,0|1,0,1]=4 508 B9R1.1 OCC1=CN=C(Br)C=C1 B12392 [1,1,0,0,0,0|2,0,0]=4 509 B9R1.1 OCC1=CN=C(Cl)C=C1 C9389 [1,1,0,0,0,0|2,0,0]=4 510 B9R1.1 OCC1=CN=C(Cl)C=N1 C1534 [1,1,0,0,0,0|1,0,0]=3 511 B9R1.1 OCC1=CN=C(F)C=C1 F13989 [1,1,0,0,0,0|2,0,0]=4 512 B9R1.1 OCC1=NC=C(Br)C=C1 B3203 [1,1,0,0,0,0|2,0,0]=4 513 B9R1.1 OCC1=NC=C(Cl)C=C1 C22297 [1,1,0,0,0,0|2,0,0]=4 514 B9R1.1 OCC1=NC=C(F)C=C1 F0644 [1,1,0,0,0,0|2,0,0]=4 515 B9R1.2 BrCC1=CC=CC(Br)=N1 B42519 [1,1,0,0,0,0|2,0,0]=4 516 B9R1.2 CC1=CC(CCl)=CN=C1 C46109 [1,1,0,0,0,0|2,0,0]=4 517 B9R1.2 CC1=CC(CCl)=NC=C1 C46106 [1,1,0,0,0,0|2,0,0]=4 518 B9R1.2 CC1=CC(CN)=NC=C1 A62602 [1,1,0,0,0,0|2,0,0]=4 519 B9R1.2 CC1=CC(CN)=NC=C1 M46587 [1,1,0,0,0,0|2,0,0]=4 520 B9R1.2 CC1=CC(CO)=CN=C1 H10516 [1,1,0,0,0,0|2,0,0]=4 521 B9R1.2 CC1=CC(CO)=NC=C1 M46387 [1,1,0,0,0,0|2,0,0]=4 522 B9R1.2 CC1=CC=CC(CBr)=N1 B46087 [1,1,0,0,0,0|2,0,0]=4 523 B9R1.2 CC1=CC=CC(CCl)=N1 C46103 [1,1,0,0,0,0|2,0,0]=4 524 B9R1.2 CC1=CC=CC(CN)=N1 M24786 [1,1,0,0,0,0|2,0,0]=4 525 B9R1.2 CC1=CC=CC(CN)=N1 M63579 [1,1,0,0,0,0|2,0,0]=4 526 B9R1.2 CC1=CC=CC(CO)=N1 M46384 [1,1,0,0,0,0|2,0,0]=4 527 B9R1.2 CC1=CN=CC(C#N)=N1 M42469 [1,1,0,0,0,0|1,0,1]=4 528 B9R1.2 CC1=CN=CC(C=O)=N1 M16928 [1,1,0,0,0,0|1,0,1]=4 529 B9R1.2 CC1=CN=CC(CCl)=N1 C43005 [1,1,0,0,0,0|1,0,0]=3 530 B9R1.2 CCC1=CC(=O)NC=N1 E43198 [1,1,0,0,0,0|2,0,0]=4 531 B9R1.2 CCC1=CC(=O)NN=C1 E43197 [1,1,0,0,0,0|2,0,0]=4 532 B9R1.2 CCC1=CC(Br)=CN=C1 B46076 [1,1,0,0,0,0|1,0,0]=3 533 B9R1.2 CCC1=CC(Cl)=NC=N1 C69336 [1,1,0,0,0,0|2,0,0]=4 534 B9R1.2 CCC1=CC=CC(Br)=C1 B49158 [1,1,0,0,0,0|2,0,0]=4 535 B9R1.2 CCC1=CC=CC(Br)=N1 B46074 [1,1,0,0,0,0|1,0,0]=3 536 B9R1.2 CCC1=CC=CC(N)=C1 E68361 [1,1,0,0,0,0|2,0,0]=4 537 B9R1.2 CCC1=CC=CC(N)=N1 E43601 [1,1,0,0,0,0|1,0,0]=3 538 B9R1.2 CCC1=CC=CC([Mg+])=C1 E31740 [1,1,0,0,0,0|2,0,0]=4 539 B9R1.2 CCC1=CN=CC(N)=C1 E37485 [1,1,0,0,0,0|1,0,0]=3 540 B9R1.2 CCC1=NC=CC(Br)=C1 B46078 [1,1,0,0,0,0|1,0,0]=3 541 B9R1.2 CCC1=NC=CC(Cl)=N1 C29661 [1,1,0,0,0,0|2,0,0]=4 542 B9R1.2 CCC1=NC=CC(N)=C1 A15478 [1,1,0,0,0,0|1,0,0]=3 543 B9R1.2 CNC1=CC=CC(Cl)=N1 C43001 [1,1,0,0,0,0|2,0,0]=4 544 B9R1.2 CNC1=NC(C)=CC=C1 D43615 [1,1,0,0,0,0|2,0,0]=4 545 B9R1.2 CNC1=NC=CC(Br)=C1 B23788 [1,1,0,0,0,0|2,0,0]=4 546 B9R1.2 CNC1=NC=CC(N)=C1 M43544 [1,1,0,0,0,0|2,0,0]=4 547 B9R1.2 COC1=CC(Br)=CN=C1 B2876 [1,1,0,0,0,0|2,0,0]=4 548 B9R1.2 COC1=CC=CC(Br)=N1 B2785 [1,1,0,0,0,0|2,0,0]=4 549 B9R1.2 COC1=CC=CC(Cl)=N1 C39269 [1,1,0,0,0,0|2,0,0]=4 550 B9R1.2 COC1=CC=CC(F)=N1 F67375 [1,1,0,0,0,0|2,0,0]=4 551 B9R1.2 COC1=CC=CC(I)=N1 K42932 [1,1,0,0,0,0|2,0,0]=4 552 B9R1.2 COC1=CN=CC(Cl)=N1 C2454 [1,1,0,0,0,0|1,0,0]=3 553 B9R1.2 COC1=CN=CC(I)=N1 I2676 [1,1,0,0,0,0|1,0,0]=3 554 B9R1.2 COC1=CN=CC(N)=C1 A14114 [1,1,0,0,0,0|2,0,0]=4 555 B9R1.2 COC1=CN=CC(N)=C1 A7930 [1,1,0,0,0,0|2,0,0]=4 556 B9R1.2 COC1=CN=CC(O)=C1 M43136 [1,1,0,0,0,0|2,0,0]=4 557 B9R1.2 COC1=NC(C)=CC=C1 M46380 [1,1,0,0,0,0|2,0,0]=4 558 B9R1.2 COC1=NC(N)=CC=C1 A43190 [1,1,0,0,0,0|2,0,0]=4 559 B9R1.2 COC1=NC(N)=CN=C1 A8995 [1,1,0,0,0,0|1,0,0]=3 560 B9R1.2 COC1=NC=CC(Br)=C1 B3113 [1,1,0,0,0,0|2,0,0]=4 561 B9R1.2 COC1=NC=CC(C)=C1 M46379 [1,1,0,0,0,0|2,0,0]=4 562 B9R1.2 COC1=NC=CC(Cl)=C1 C42902 [1,1,0,0,0,0|2,0,0]=4 563 B9R1.2 COC1=NC=CC(F)=C1 F42927 [1,1,0,0,0,0|2,0,0]=4 564 B9R1.2 COC1=NC=CC(I)=C1 K60534 [1,1,0,0,0,0|2,0,0]=4 565 B9R1.2 COC1=NC=CC(N)=C1 M3947 [1,1,0,0,0,0|2,0,0]=4 566 B9R1.2 COC1=NC=CC(O)=C1 M38428 [1,1,0,0,0,0|2,0,0]=4 567 B9R1.2 CSC1=CC=CC(Br)=N1 B2786 [1,1,0,0,0,0|2,0,0]=4 568 B9R1.2 CSC1=NC=CC(Cl)=C1 C42846 [1,1,0,0,0,0|2,0,0]=4 569 B9R1.2 ClCC1=CC(Br)=CN=C1 B15185 [1,1,0,0,0,0|2,0,0]=4 570 B9R1.2 ClCC1=CC(Cl)=CN=C1 C1777 [1,1,0,0,0,0|2,0,0]=4 571 B9R1.2 ClCC1=CC=CC(Br)=N1 B27809 [1,1,0,0,0,0|2,0,0]=4 572 B9R1.2 ClCC1=CC=CC(Cl)=N1 C42562 [1,1,0,0,0,0|2,0,0]=4 573 B9R1.2 ClCC1=NC=CC(Cl)=C1 C32395 [1,1,0,0,0,0|2,0,0]=4 574 B9R1.2 FC1=CC(CBr)=CN=C1 B37165 [1,1,0,0,0,0|2,0,0]=4 575 B9R1.2 FC1=CC(CCl)=CN=C1 C1821 [1,1,0,0,0,0|2,0,0]=4 576 B9R1.2 FC1=CC=CC(CBr)=N1 B42547 [1,1,0,0,0,0|2,0,0]=4 577 B9R1.2 FC1=CC=CC(CCl)=N1 C42570 [1,1,0,0,0,0|2,0,0]=4 578 B9R1.2 N#CC1=CN=CC(Br)=N1 B40486 [1,1,0,0,0,0|1,0,1]=4 579 B9R1.2 N#CC1=CN=CC(Cl)=N1 C4892 [1,1,0,0,0,0|1,0,1]=4 580 B9R1.2 N#CC1=NC(N)=CN=C1 A11545 [1,1,0,0,0,0|1,0,1]=4 581 B9R1.2 NC1=CC(CO)=CN=C1 A43207 [1,1,0,0,0,0|2,0,0]=4 582 B9R1.2 NC1=CC(CO)=NC=C1 A15900 [1,1,0,0,0,0|2,0,0]=4 583 B9R1.2 NC1=CC=CC(CO)=N1 A43208 [1,1,0,0,0,0|2,0,0]=4 584 B9R1.2 NCC1=CC(F)=CN=C1 F5829 [1,1,0,0,0,0|2,0,0]=4 585 B9R1.2 NCC1=CC=CC(Br)=N1 B42981 [1,1,0,0,0,0|2,0,0]=4 586 B9R1.2 NCC1=CC=CC(Cl)=N1 C43006 [1,1,0,0,0,0|2,0,0]=4 587 B9R1.2 NCC1=CN=CC(Cl)=N1 C18971 [1,1,0,0,0,0|1,0,0]=3 588 B9R1.2 NCC1=NC=CC(Br)=C1 A1747 [1,1,0,0,0,0|2,0,0]=4 589 B9R1.2 NCC1=NC=CC(Br)=C1 B42982 [1,1,0,0,0,0|2,0,0]=4 590 B9R1.2 NCC1=NC=CC(Cl)=C1 A14281 [1,1,0,0,0,0|2,0,0]=4 591 B9R1.2 NCC1=NC=CC(F)=C1 F43529 [1,1,0,0,0,0|2,0,0]=4 592 B9R1.2 O=CC1=CN=CC(Cl)=N1 C14597 [1,1,0,0,0,0|1,0,1]=4 593 B9R1.2 OCC1=CC(Br)=CN=C1 B12503 [1,1,0,0,0,0|2,0,0]=4 594 B9R1.2 OCC1=CC(Cl)=CN=C1 C42912 [1,1,0,0,0,0|2,0,0]=4 595 B9R1.2 OCC1=CC(F)=CN=C1 F0704 [1,1,0,0,0,0|2,0,0]=4 596 B9R1.2 OCC1=CC(O)=CN=C1 H39124 [1,1,0,0,0,0|2,0,0]=4 597 B9R1.2 OCC1=CC=CC(Br)=N1 B12271 [1,1,0,0,0,0|2,0,0]=4 598 B9R1.2 OCC1=CC=CC(Cl)=N1 C38619 [1,1,0,0,0,0|2,0,0]=4 599 B9R1.2 OCC1=CC=CC(Cl)=N1 C42916 [1,1,0,0,0,0|2,0,0]=4 600 B9R1.2 OCC1=CC=CC(F)=N1 F67771 [1,1,0,0,0,0|2,0,0]=4 601 B9R1.2 OCC1=CN=CC(Br)=N1 B40916 [1,1,0,0,0,0|1,0,0]=3 602 B9R1.2 OCC1=CN=CC(Cl)=N1 C14609 [1,1,0,0,0,0|1,0,0]=3 603 B9R1.2 OCC1=NC=CC(Br)=C1 B0602 [1,1,0,0,0,0|2,0,0]=4 604 B9R1.2 OCC1=NC=CC(Cl)=C1 C12436 [1,1,0,0,0,0|2,0,0]=4 605 B9R1.2 OCC1=NC=CC(F)=C1 F37340 [1,1,0,0,0,0|2,0,0]=4 606 B9R1.8 CCCC1=NC=CC=C1 P46859 [1,1,0,0,0,0|1,0,0]=3 607 B9R1.8 CCCC1=NC=CN=C1 P43598 [1,1,0,0,0,0|0,0,0]=2 608 B9R1.8 CCNC1=NC=CN=C1 E43330 [1,1,0,0,0,0|0,0,0]=2 609 B9R1.8 CCOC1=NC=CC=C1 E46369 [1,1,0,0,0,0|1,0,0]=3 610 B9R1.8 CNCC1=CN=CN=C1 N11436 [1,1,0,0,0,0|2,0,0]=4 611 B9R1.8 CNCC1=CN=NC=C1 M12238 [1,1,0,0,0,0|2,0,0]=4 612 B9R1.8 CNCC1=CN=NC=C1 M27035 [1,1,0,0,0,0|2,0,0]=4 613 B9R1.8 CNCC1=NC=CC=N1 M14362 [1,1,0,0,0,0|2,0,0]=4 614 B9R1.8 CNCC1=NC=CC=N1 M31227 [1,1,0,0,0,0|2,0,0]=4 615 B9R1.8 CNCC1=NC=CN=C1 M14584 [1,1,0,0,0,0|0,0,0]=2 616 B9R1.8 COCC1=NC=CC=C1 M46377 [1,1,0,0,0,0|1,0,0]=3 617 B9R1.8 N#CCC1=CN=CC=C1 P38543 [1,1,0,0,0,0|1,0,1]=4 618 B9R1.8 N#CCC1=NC=CC=C1 P45196 [1,1,0,0,0,0|1,0,1]=4 619 B9R1.8 NCCC1=CC=CN=C1 P43605 [1,1,0,0,0,0|1,0,0]=3 620 B9R1.8 NCCC1=NC=CC=C1 P67673 [1,1,0,0,0,0|1,0,0]=3 621 B9R1.8 NCCC1=NC=NC=C1 P14666 [1,1,0,0,0,0|2,0,0]=4 622 B9R1.8 NCCC1=NC=NC=C1 P29961 [1,1,0,0,0,0|2,0,0]=4 623 B9R1.8 NNCC1=CC=CN=C1 H0097 [1,1,0,0,0,0|2,0,0]=4 624 B9R1.8 NNCC1=CC=CN=C1 H36962 [1,1,0,0,0,0|2,0,0]=4 625 B9R1.8 NNCC1=NC=CC=C1 H0098 [1,1,0,0,0,0|2,0,0]=4 626 B9R1.8 NNCC1=NC=CN=C1 H7534 [1,1,0,0,0,0|1,0,0]=3 627 B9R1.8 OCCC1=CN=CC=C1 P46376 [1,1,0,0,0,0|1,0,0]=3 628 B9R1.8 OCCC1=NC=CN=C1 P24824 [1,1,0,0,0,0|0,0,0]=2 629 B9R1.8 [Mg+]CCC1=CC=CC=C1 P31723 [1,1,0,0,0,0|2,0,0]=4 630 B9R1.8 [N-]=[N+]=NC1=NC=CN=C1 A31883 [1,1,0,0,0,0|2,0,0]=4 631 B9R1.15 BrCC1=C(Br)C=CC=N1 B32048 [1,1,0,0,0,0|2,0,0]=4 632 B9R1.15 C#CC1=NC=CN=C1Cl C63547 [1,1,0,0,0,0|0,0,2]=4 633 B9R1.15 CC1=C(CBr)C=CC=N1 B15311 [1,1,0,0,0,0|2,0,0]=4 634 B9R1.15 CC1=C(CBr)C=NC=C1 B37536 [1,1,0,0,0,0|2,0,0]=4 635 B9R1.15 CC1=C(CCl)C=CC=N1 C14756 [1,1,0,0,0,0|2,0,0]=4 636 B9R1.15 CC1=C(CCl)C=NC=C1 C14757 [1,1,0,0,0,0|2,0,0]=4 637 B9R1.15 CC1=C(CCl)C=NC=C1 C46108 [1,1,0,0,0,0|2,0,0]=4 638 B9R1.15 CC1=C(CN)C=NC=C1 A11511 [1,1,0,0,0,0|2,0,0]=4 639 B9R1.15 CC1=C(CO)C=NC=C1 H11512 [1,1,0,0,0,0|2,0,0]=4 640 B9R1.15 CC1=CC=CN=C1CCl C14758 [1,1,0,0,0,0|2,0,0]=4 641 B9R1.15 CC1=CC=CN=C1CCl C46105 [1,1,0,0,0,0|2,0,0]=4 642 B9R1.15 CC1=CC=CN=C1CN M46460 [1,1,0,0,0,0|2,0,0]=4 643 B9R1.15 CC1=CC=CN=C1CO H46388 [1,1,0,0,0,0|2,0,0]=4 644 B9R1.15 CC1=NC=CN=C1C=O M14617 [1,1,0,0,0,0|1,0,1]=4 645 B9R1.15 CC1=NC=CN=C1CCl C14615 [1,1,0,0,0,0|1,0,0]=3 646 B9R1.15 CC1=NC=CN=C1CN A11549 [1,1,0,0,0,0|1,0,0]=3 647 B9R1.15 CC1=NC=CN=C1CO H14616 [1,1,0,0,0,0|1,0,0]=3 648 B9R1.15 CCC1=C(Br)C=CC=C1 B68946 [1,1,0,0,0,0|2,0,0]=4 649 B9R1.15 CCC1=C(Br)C=CC=N1 B23432 [1,1,0,0,0,0|1,0,0]=3 650 B9R1.15 CCC1=C(Br)C=CN=C1 B10961 [1,1,0,0,0,0|1,0,0]=3 651 B9R1.15 CCC1=C(Br)C=CN=C1 B30062 [1,1,0,0,0,0|1,0,0]=3 652 B9R1.15 CCC1=C(Br)C=NC=N1 B42964 [1,1,0,0,0,0|2,0,0]=4 653 B9R1.15 CCC1=C(C)C=CC=C1 E50165 [1,1,0,0,0,0|2,0,0]=4 654 B9R1.15 CCC1=C(F)C=NC=N1 E0673 [1,1,0,0,0,0|2,0,0]=4 655 B9R1.15 CCC1=C([Mg+])C=CC=C1 E31738 [1,1,0,0,0,0|2,0,0]=4 656 B9R1.15 CCC1=CN=CN=C1Cl C42985 [1,1,0,0,0,0|2,0,0]=4 657 B9R1.15 CCC1=NC=CN=C1C E43603 [1,1,0,0,0,0|0,0,0]=2 658 B9R1.15 CCC1=NC=CN=C1Cl C38966 [1,1,0,0,0,0|0,0,0]=2 659 B9R1.15 CCC1=NC=CN=C1N E43328 [1,1,0,0,0,0|0,0,0]=2 660 B9R1.15 CCC1=NC=CNC1=O E43188 [1,1,0,0,0,0|0,0,1]=3 661 B9R1.15 CNC1=C(C)C=CN=C1 D67183 [1,1,0,0,0,0|2,0,0]=4 662 B9R1.15 CNC1=C(Cl)C=CC=N1 C42995 [1,1,0,0,0,0|2,0,0]=4 663 B9R1.15 CNC1=C(N)C=CN=C1 M62812 [1,1,0,0,0,0|2,0,0]=4 664 B9R1.15 CNC1=CC=CN=C1Cl C42994 [1,1,0,0,0,0|2,0,0]=4 665 B9R1.15 CNC1=CC=CN=C1N M62813 [1,1,0,0,0,0|2,0,0]=4 666 B9R1.15 CNC1=NC=CC=C1N M43341 [1,1,0,0,0,0|2,0,0]=4 667 B9R1.15 CNC1=NC=CN=C1N M63361 [1,1,0,0,0,0|1,0,0]=3 668 B9R1.15 COC1=C(Br)C=CC=N1 B12855 [1,1,0,0,0,0|2,0,0]=4 669 B9R1.15 COC1=C(Br)C=CN=C1 B61080 [1,1,0,0,0,0|2,0,0]=4 670 B9R1.15 COC1=C(Cl)C=CC=N1 C42900 [1,1,0,0,0,0|2,0,0]=4 671 B9R1.15 COC1=C(F)C=CC=N1 F42926 [1,1,0,0,0,0|2,0,0]=4 672 B9R1.15 COC1=C(I)C=CC=N1 K42933 [1,1,0,0,0,0|2,0,0]=4 673 B9R1.15 COC1=C(N)N=CC=C1 A69248 [1,1,0,0,0,0|2,0,0]=4 674 B9R1.15 COC1=CC=CN=C1Br B4536 [1,1,0,0,0,0|2,0,0]=4 675 B9R1.15 COC1=CC=CN=C1Cl C24085 [1,1,0,0,0,0|2,0,0]=4 676 B9R1.15 COC1=CC=CN=C1F F42924 [1,1,0,0,0,0|2,0,0]=4 677 B9R1.15 COC1=CC=CN=C1I K62151 [1,1,0,0,0,0|2,0,0]=4 678 B9R1.15 COC1=NC=CC=C1C M46378 [1,1,0,0,0,0|2,0,0]=4 679 B9R1.15 COC1=NC=CC=C1N A12743 [1,1,0,0,0,0|2,0,0]=4 680 B9R1.15 COC1=NC=CN=C1Br B40912 [1,1,0,0,0,0|1,0,0]=3 681 B9R1.15 COC1=NC=CN=C1C M39278 [1,1,0,0,0,0|1,0,0]=3 682 B9R1.15 COC1=NC=CN=C1Cl C1053 [1,1,0,0,0,0|1,0,0]=3 683 B9R1.15 COC1=NC=CN=C1I I3006 [1,1,0,0,0,0|1,0,0]=3 684 B9R1.15 COC1=NC=CN=C1N M32096 [1,1,0,0,0,0|1,0,0]=3 685 B9R1.15 CSC1=C(F)N=CC=C1 F42849 [1,1,0,0,0,0|2,0,0]=4 686 B9R1.15 CSC1=NC=CN=C1C M43263 [1,1,0,0,0,0|1,0,0]=3 687 B9R1.15 ClCC1=C(Br)C=CC=N1 B42529 [1,1,0,0,0,0|2,0,0]=4 688 B9R1.15 ClCC1=C(Cl)C=CC=N1 C42563 [1,1,0,0,0,0|2,0,0]=4 689 B9R1.15 ClCC1=C(Cl)C=CC=N1 C42564 [1,1,0,0,0,0|2,0,0]=4 690 B9R1.15 ClCC1=CC=CN=C1Cl C7688 [1,1,0,0,0,0|2,0,0]=4 691 B9R1.15 ClCC1=NC=CN=C1Cl C12594 [1,1,0,0,0,0|1,0,0]=3 692 B9R1.15 FC1=CC=CN=C1CBr B19661 [1,1,0,0,0,0|2,0,0]=4 693 B9R1.15 FC1=CC=CN=C1CBr B7783 [1,1,0,0,0,0|2,0,0]=4 694 B9R1.15 FC1=CC=CN=C1CCl C13988 [1,1,0,0,0,0|2,0,0]=4 695 B9R1.15 N#CC1=NC=CN=C1Cl C0571 [1,1,0,0,0,0|1,0,1]=4 696 B9R1.15 N#CC1=NC=CN=C1N A40815 [1,1,0,0,0,0|1,0,1]=4 697 B9R1.15 NC1=C(CO)C=CC=N1 A12467 [1,1,0,0,0,0|2,0,0]=4 698 B9R1.15 NC1=CC=CN=C1CO A24069 [1,1,0,0,0,0|2,0,0]=4 699 B9R1.15 NC1=NC=CN=C1C=O A0269 [1,1,0,0,0,0|1,0,1]=4 700 B9R1.15 NCC1=C(Br)C=CN=C1 B63849 [1,1,0,0,0,0|2,0,0]=4 701 B9R1.15 NCC1=C(Cl)C=CC=N1 A14307 [1,1,0,0,0,0|2,0,0]=4 702 B9R1.15 NCC1=C(Cl)C=CC=N1 C29809 [1,1,0,0,0,0|2,0,0]=4 703 B9R1.15 NCC1=C(F)C=CC=N1 A12648 [1,1,0,0,0,0|2,0,0]=4 704 B9R1.15 NCC1=C(F)C=CC=N1 A1712 [1,1,0,0,0,0|2,0,0]=4 705 B9R1.15 NCC1=C(F)C=CC=N1 F61824 [1,1,0,0,0,0|2,0,0]=4 706 B9R1.15 NCC1=C(O)C=CC=N1 A43199 [1,1,0,0,0,0|2,0,0]=4 707 B9R1.15 NCC1=CC=CN=C1Cl A10464 [1,1,0,0,0,0|2,0,0]=4 708 B9R1.15 NCC1=CC=CN=C1F F43528 [1,1,0,0,0,0|2,0,0]=4 709 B9R1.15 NCC1=NC=CN=C1Cl C25893 [1,1,0,0,0,0|1,0,0]=3 710 B9R1.15 NCC1=NC=CN=C1Cl C26687 [1,1,0,0,0,0|1,0,0]=3 711 B9R1.15 NNC1=NC=CN=C1Cl C12505 [1,1,0,0,0,0|2,0,0]=4 712 B9R1.15 O=CC1=NC=CN=C1Cl C12693 [1,1,0,0,0,0|1,0,1]=4 713 B9R1.15 OCC1=C(Br)C=CC=N1 B42889 [1,1,0,0,0,0|2,0,0]=4 714 B9R1.15 OCC1=C(Cl)C=CC=N1 C42910 [1,1,0,0,0,0|2,0,0]=4 715 B9R1.15 OCC1=C(Cl)C=CN=C1 C42911 [1,1,0,0,0,0|2,0,0]=4 716 B9R1.15 OCC1=C(Cl)C=CN=C1 C42915 [1,1,0,0,0,0|2,0,0]=4 717 B9R1.15 OCC1=C(F)C=CC=N1 F1706 [1,1,0,0,0,0|2,0,0]=4 718 B9R1.15 OCC1=C(F)C=CN=C1 F30083 [1,1,0,0,0,0|2,0,0]=4 719 B9R1.15 OCC1=C(O)C=CC=N1 H60848 [1,1,0,0,0,0|2,0,0]=4 720 B9R1.15 OCC1=CC=CN=C1Br B69414 [1,1,0,0,0,0|2,0,0]=4 721 B9R1.15 OCC1=CC=CN=C1Cl C0580 [1,1,0,0,0,0|2,0,0]=4 722 B9R1.15 OCC1=CC=CN=C1F F42930 [1,1,0,0,0,0|2,0,0]=4 723 B9R1.15 OCC1=NC=CN=C1Cl C1612 [1,1,0,0,0,0|1,0,0]=3 724 B9R1.11 N[C@@H](CO)C1=CC=CS1 A43554 [0,1,0,0,1,0|2,0,0]=4 725 B9R1.19 CC(C)(C)C1=CNN=C1 B16287 [0,1,0,0,1,0|1,0,0]=3 726 B9R1.19 CC(C)(C)C1=NC=CN1 D1577 [0,1,0,0,1,0|0,0,1]=3 727 B9R1.19 CC(C)(C)C1=NNC=C1 B1379 [0,1,0,0,1,0|1,0,0]=3 728 B9R1.19 CC(C)(C)N1C=CC=N1 B20476 [0,1,0,0,1,0|1,0,0]=3 729 B9R1.19 CC(C)(C)N1C=CN=C1 B9386 [0,1,0,0,1,0|1,0,0]=3 730 B9R1.19 CC(C)(O)C1=NC=CS1 D5833 [0,1,0,0,1,0|1,0,0]=3 731 B9R1.19 C[Si](C)(C)C1=CN=CS1 T3463 [0,1,0,0,1,0|1,1,0]=4 732 B9R1.19 C[Si](C)(C)C1=NC=CS1 T2744 [0,1,0,0,1,0|1,1,0]=4 733 B9R1.35 CC(C)C1=CN=C(Br)S1 B43292 [0,1,0,0,1,0|1,0,0]=3 734 B9R1.35 CC(C)C1=CN=C(N)S1 P67827 [0,1,0,0,1,0|1,0,0]=3 735 B9R1.35 CC(C)C1=CSC(Br)=N1 B43291 [0,1,0,0,1,0|1,0,0]=3 736 B9R1.35 CC(C)C1=NC(Br)=CS1 B2063 [0,1,0,0,1,0|1,0,0]=3 737 B9R1.35 CC(C)C1=NC=C(Br)S1 B64788 [0,1,0,0,1,0|1,0,0]=3 738 B9R1.35 CC(C)C1=NN=C(Br)S1 B64862 [0,1,0,0,1,0|2,0,0]=4 739 B9R1.35 CC(C)C1=NN=C(N)N1 P40374 [0,1,0,0,1,0|1,0,1]=4 740 B9R1.35 CC(C)C1=NN=C(N)O1 A12272 [0,1,0,0,1,0|2,0,0]=4 741 B9R1.35 CC(C)C1=NN=C(N)S1 A41253 [0,1,0,0,1,0|2,0,0]=4 742 B9R1.35 CC(C)C1=NOC(N)=C1 P41431 [0,1,0,0,1,0|1,0,0]=3 743 B9R1.35 CC(C)N1C=C(Br)C=N1 B43323 [0,1,0,0,1,0|1,0,0]=3 744 B9R1.35 CC(C)N1C=C(N)C=N1 P41490 [0,1,0,0,1,0|1,0,0]=3 745 B9R1.35 CC(C)N1C=NC(Br)=C1 B8984 [0,1,0,0,1,0|1,0,0]=3 746 B9R1.35 CC1=CSC(C(C)C)=N1 P43783 [0,1,0,0,1,0|1,0,0]=3 747 B9R1.35 CN(C)C1=CC(N)=NN1 D26644 [0,1,0,0,1,0|2,0,0]=4 748 B9R1.35 C[C@H](N)C1=CN(C)N=C1 M14047 [0,1,0,0,1,0|2,0,0]=4 749 B9R1.35 C[C@H](O)C1=CN(C)C=N1 M0652 [0,1,0,0,1,0|1,0,1]=4 750 B9R1.35 C[C@H](O)C1=CSC(Cl)=C1 C7957 [0,1,0,0,1,0|2,0,0]=4 751 B9R1.41 CC(C)C1=C(Br)C=NN1 B12019 [0,1,0,0,1,0|1,0,0]=3 752 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 B52869 [0,1,0,0,0,1|2,0,0]=4 753 B11R1.20 CC(C)NC1=CC=C(F)C=C1 F50250 [0,1,0,0,0,1|2,0,0]=4 754 B11R1.20 CC(C)NC1=NC=C(Br)C=N1 B2456 [0,1,0,0,0,1|2,0,0]=4 755 B11R1.20 CC(C)OC1=CC=C(N)C=C1 P50334 [0,1,0,0,0,1|2,0,0]=4 756 B11R1.20 CC(C)OC1=CC=C(O)C=C1 P60509 [0,1,0,0,0,1|2,0,0]=4 757 B11R1.20 CC(C)OC1=CN=C(Cl)C=C1 C37509 [0,1,0,0,0,1|1,0,0]=3 758 B11R1.20 CC(C)OC1=NC=C(Br)C=C1 B46786 [0,1,0,0,0,1|1,0,0]=3 759 B11R1.20 CC(C)OC1=NC=C(N)C=C1 P59792 [0,1,0,0,0,1|1,0,0]=3 760 B11R1.20 CC(C)OC1=NC=C(O)C=C1 P63580 [0,1,0,0,0,1|1,0,0]=3 761 B11R1.20 CC(C)OC1=NN=C(I)C=C1 K46336 [0,1,0,0,0,1|2,0,0]=4 762 B11R1.20 CC(C)SC1=CC=C(Br)C=C1 B49968 [0,1,0,0,0,1|2,0,0]=4 763 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 B39601 [0,1,0,0,0,1|2,0,0]=4 764 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 M39089 [0,1,0,0,0,1|2,0,0]=4 765 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 M36968 [0,1,0,0,0,1|2,0,0]=4 766 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 M53117 [0,1,0,0,0,1|2,0,0]=4 767 B11R1.40 COC(=O)CC1=NC=CN=C1 M12293 [0,1,0,0,0,1|1,0,1]=4 768 B11R1.86 CC(C)NC1=NC=CC=C1N P47054 [0,1,0,0,0,1|1,0,0]=3 769 B11R1.86 CC(C)OC1=C(Br)C=CC=C1 B50144 [0,1,0,0,0,1|2,0,0]=4 770 B11R1.86 CC(C)OC1=C(Br)C=CC=N1 B46784 [0,1,0,0,0,1|1,0,0]=3 771 B11R1.86 CC(C)OC1=C(N)C=CC=C1 P67507 [0,1,0,0,0,1|2,0,0]=4 772 B11R1.86 CC(C)SC1=C(N)C=CC=C1 P50385 [0,1,0,0,0,1|2,0,0]=4 773 B11R1.86 CC(C)SC1=C(N)C=CC=C1 P60671 [0,1,0,0,0,1|2,0,0]=4 774 B11R1.86 CC1=NC=CN=C1CC(C)C B50395 [0,1,0,0,0,1|0,0,0]=2 775 B11R1.157 CC(C)CC1=CC=CC(Br)=C1 B52868 [0,1,0,0,0,1|2,0,0]=4 776 B11R1.157 CC(C)OC1=CC(Cl)=NC=N1 C46328 [0,1,0,0,0,1|2,0,0]=4 777 B11R1.157 CC(C)OC1=CC(O)=CC=C1 M61115 [0,1,0,0,0,1|2,0,0]=4 778 B11R1.157 CC(C)OC1=CC=CC(Br)=C1 B66115 [0,1,0,0,0,1|2,0,0]=4 779 B11R1.157 CC(C)OC1=CC=NC(Cl)=N1 C63876 [0,1,0,0,0,1|2,0,0]=4 780 B11R1.157 CC(C)OC1=NC=CC(Br)=C1 B46785 [0,1,0,0,0,1|1,0,0]=3 781 B11R1.509 CC(C)(C)OC1=CN=CC=C1 B50336 [0,1,0,0,0,1|1,0,0]=3 782 B11R1.509 CC(C)(C)OC1=NC=CC=C1 B50335 [0,1,0,0,0,1|1,0,0]=3 783 B11R1.497 CC(C)C1=CC(=O)C=CC=C1 P61146 [0,1,0,0,0,1|2,0,0]=4 784 B11R1.3 C#CC1=CC=C(C(C)C)C=C1 E54481 [0,2,0,0,0,0|2,0,0]=4 785 B11R1.3 CC(=O)C1=NC=C(C#N)N=C1 A44868 [0,2,0,0,0,0|1,0,1]=4 786 B11R1.3 CC(C)C1=CC=C(CN)C=C1 P53115 [0,2,0,0,0,0|2,0,0]=4 787 B11R1.19 CC(C)(C)C1=CC=C(Br)C=C1 B68078 [0,2,0,0,0,0|2,0,0]=4 788 B11R1.19 CC(C)(C)C1=CC=C(Cl)C=C1 B52874 [0,2,0,0,0,0|2,0,0]=4 789 B11R1.19 CC(C)(C)C1=CC=C(I)C=C1 B52875 [0,2,0,0,0,0|2,0,0]=4 790 B11R1.19 CC(C)(C)C1=CC=C(S)C=C1 B53106 [0,2,0,0,0,0|2,0,0]=4 791 B11R1.19 CC(C)(C)C1=CC=C([Mg+])C=C1 B31784 [0,2,0,0,0,0|2,0,0]=4 792 B11R1.19 CC(C)(C)C1=CN=C(N)N=C1 D67350 [0,2,0,0,0,0|2,0,0]=4 793 B11R1.19 CC(C)(O)C1=CC=C(Br)C=C1 B50148 [0,2,0,0,0,0|2,0,0]=4 794 B11R1.19 FC(F)(F)C1=CN=C(Br)C=N1 B40452 [0,2,0,0,0,0|2,0,0]=4 795 B11R1.19 NC1=CN=C(C(F)(F)F)C=N1 T40789 [0,2,0,0,0,0|2,0,0]=4 796 B11R1.21 CC(C)C1=NC(N)=C(Br)C=C1 B59688 [0,2,0,0,0,0|1,0,0]=3 797 B11R1.22 CC[C@H](C)C1=CC=C(Br)C=C1 B39008 [0,2,0,0,0,0|2,0,0]=4 798 B11R1.22 CN[C@@H](C)C1=CC=C(Br)C=C1 B50237 [0,2,0,0,0,0|2,0,0]=4 799 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 C50248 [0,2,0,0,0,0|2,0,0]=4 800 B11R1.22 CN[C@H](C)C1=CC=C(Cl)C=C1 C50247 [0,2,0,0,0,0|2,0,0]=4 801 B11R1.22 COC(=O)C1=CN=C(Br)C=N1 M8884 [0,2,0,0,0,0|1,0,1]=4 802 B11R1.22 COC(=O)C1=CN=C(Cl)C=N1 M1561 [0,2,0,0,0,0|1,0,1]=4 803 B11R1.22 COC(=O)C1=NC=C(C)N=C1 M46011 [0,2,0,0,0,0|1,0,1]=4 804 B11R1.22 COC(=O)C1=NC=C(N)N=C1 A0342 [0,2,0,0,0,0|1,0,1]=4 805 B11R1.22 COC(=O)C1=NC=C(N)N=C1 M19340 [0,2,0,0,0,0|1,0,1]=4 806 B11R1.22 COC(=O)C1=NC=C(O)N=C1 M12387 [0,2,0,0,0,0|1,0,1]=4 807 B11R1.22 C[C@@H](CN)C1=CC=C(O)C=C1 A28643 [0,2,0,0,0,0|2,0,0]=4 808 B11R1.22 N[C@@H](CO)C1=CN=C(Cl)C=C1 A46332 [0,2,0,0,0,0|2,0,0]=4 809 B11R1.22 N[C@@H](CO)C1=NC=C(F)C=C1 A37122 [0,2,0,0,0,0|2,0,0]=4 810 B11R1.166 CC(C)C1=C(N)N=C(Cl)N=C1 C37537 [0,2,0,0,0,0|2,0,0]=4 811 B11R1.166 CC(C)C1=C(O)C=C(N)C=C1 A67349 [0,2,0,0,0,0|2,0,0]=4 812 B11R1.166 CC(C)C1=C(O)C=C(O)C=C1 I38010 [0,2,0,0,0,0|2,0,0]=4 813 B11R1.166 C[C@H](O)C1=CC=C(Cl)N=C1Cl D63331 [0,2,0,0,0,0|2,0,0]=4 814 B11R1.7 C#CC(C)(C)C1=CC=CC=C1 M64383 [0,2,0,0,0,0|2,0,0]=4 815 B11R1.7 CC(C)(C#N)C1=CC=CC=C1 M62343 [0,2,0,0,0,0|2,0,0]=4 816 B11R1.7 CC(C)(C#N)C1=NC=CC=N1 M49211 [0,2,0,0,0,0|2,0,0]=4 817 B11R1.7 CC(C)(CN)C1=CC=CC=C1 M53116 [0,2,0,0,0,0|2,0,0]=4 818 B11R1.7 NCC(F)(F)C1=NC=CC=C1 D64291 [0,2,0,0,0,0|2,0,0]=4 819 B11R1.7 NCC(F)(F)C1=NC=CC=C1 P12649 [0,2,0,0,0,0|2,0,0]=4 820 B11R1.7 OCC(F)(F)C1=NC=CC=C1 D1557 [0,2,0,0,0,0|2,0,0]=4 821 B11R1.12 CCB(CC)C1=CC=CN=C1 D50430 [0,2,0,0,0,0|2,0,0]=4 822 B11R1.12 CN[C@H](CO)C1=CC=CC=C1 M52180 [0,2,0,0,0,0|2,0,0]=4 823 B11R1.12 COB(OC)C1=NC=CC=C1 P5060 [0,2,0,0,0,0|2,0,0]=4 824 B11R1.12 COC(OC)C1=CC=CC=C1 B69843 [0,2,0,0,0,0|2,0,0]=4 825 B11R1.12 COC(OC)C1=NC=NC=C1 D14447 [0,2,0,0,0,0|2,0,0]=4 826 B11R1.12 CO[C@@H](CO)C1=CC=CC=C1 M50282 [0,2,0,0,0,0|2,0,0]=4 827 B11R1.12 OCC(CO)C1=CC=CC=C1 P67660 [0,2,0,0,0,0|2,0,0]=4 828 B11R1.16 CCOC(=O)C1=NC=CN=C1 E24926 [0,2,0,0,0,0|1,0,1]=4 829 B11R1.16 OCC[C@H](O)C1=NC=CC=C1 P46920 [0,2,0,0,0,0|2,0,0]=4 830 B11R1.23 CN[C@@H](C)C1=CC=CC(Br)=C1 B50236 [0,2,0,0,0,0|2,0,0]=4 831 B11R1.23 COC(=O)C1=CN=CC(Br)=N1 M38724 [0,2,0,0,0,0|1,0,1]=4 832 B11R1.23 COC(=O)C1=CN=CC(Cl)=N1 M0687 [0,2,0,0,0,0|1,0,1]=4 833 B11R1.23 COC(=O)C1=CN=CC(I)=N1 M63354 [0,2,0,0,0,0|1,0,1]=4 834 B11R1.23 COC(=O)C1=NC(C)=CN=C1 M46012 [0,2,0,0,0,0|1,0,1]=4 835 B11R1.23 COC(=O)C1=NC(N)=CN=C1 M8739 [0,2,0,0,0,0|1,0,1]=4 836 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=N1 A46570 [0,2,0,0,0,0|2,0,0]=4 837 B11R1.222 CC[C@H](C)C1=C(N)C=CC=C1 B53112 [0,2,0,0,0,0|2,0,0]=4 838 B11R1.222 COC(=O)C1=NC=CN=C1Br B12295 [0,2,0,0,0,0|1,0,1]=4 839 B11R1.222 COC(=O)C1=NC=CN=C1C M23587 [0,2,0,0,0,0|1,0,1]=4 840 B11R1.222 COC(=O)C1=NC=CN=C1Cl C0683 [0,2,0,0,0,0|1,0,1]=4 841 B11R1.222 COC(=O)C1=NC=CN=C1I M37787 [0,2,0,0,0,0|1,0,1]=4 842 B11R1.222 COC(=O)C1=NC=CN=C1N M20687 [0,2,0,0,0,0|1,0,1]=4 843 B11R1.222 COC(=O)C1=NC=CN=C1O M42789 [0,2,0,0,0,0|1,0,1]=4 844 B11R1.87 CC(C)(C)C1=C(Br)C=CC=C1 B52871 [0,2,0,0,0,0|2,0,0]=4 845 B11R1.87 CC(C)(C)C1=C(Br)C=NC=N1 B46862 [0,2,0,0,0,0|2,0,0]=4 846 B11R1.87 CC(C)(C)C1=C(N)C=CC=C1 A38434 [0,2,0,0,0,0|2,0,0]=4 847 B11R1.87 CC(C)(N)C1=C(Br)C=CC=C1 B50232 [0,2,0,0,0,0|2,0,0]=4 848 B11R1.87 CC(C)(O)C1=C(Br)C=CC=C1 B50146 [0,2,0,0,0,0|2,0,0]=4 849 B11R1.87 CC(C)(O)C1=C(Br)C=CC=N1 B37253 [0,2,0,0,0,0|1,0,0]=3 850 B11R1.87 CC(C)(O)C1=C(N)C=CC=C1 A36729 [0,2,0,0,0,0|2,0,0]=4 851 B11R1.87 C[Si](C)(C)C1=CC=CN=C1Cl C2829 [0,2,0,0,0,0|1,1,0]=4 852 B11R1.87 FC(F)(F)C1=NC=CN=C1Cl C40455 [0,2,0,0,0,0|2,0,0]=4 853 B11R1.87 NC1=NC=CN=C1C(F)(F)F T40788 [0,2,0,0,0,0|2,0,0]=4 854 B11R1.155 CC(C)(C)C1=CC=CC(Br)=C1 B52872 [0,2,0,0,0,0|2,0,0]=4 855 B11R1.155 CC(C)(C)C1=CC=CC(Br)=N1 B50227 [0,2,0,0,0,0|1,0,0]=3 856 B11R1.155 CC(C)(C)C1=CC=CC(N)=C1 B53113 [0,2,0,0,0,0|2,0,0]=4 857 B11R1.155 CC(C)(C)C1=CC=CC(O)=C1 B39615 [0,2,0,0,0,0|2,0,0]=4 858 B11R1.155 CC(C)(C)C1=CC=CC([Mg+])=C1 B31782 [0,2,0,0,0,0|2,0,0]=4 859 B11R1.155 CC(C)(C)C1=CC=NC(Cl)=N1 C32250 [0,2,0,0,0,0|2,0,0]=4 860 B11R1.155 CC(C)(C)C1=NC=CC(Cl)=N1 B46863 [0,2,0,0,0,0|2,0,0]=4 861 B11R1.155 CC(C)(C)C1=NC=CC(N)=N1 A47053 [0,2,0,0,0,0|2,0,0]=4 862 B11R1.155 CC(C)(N)C1=CC(Br)=CN=C1 B15440 [0,2,0,0,0,0|1,0,0]=3 863 B11R1.155 CC(C)(N)C1=CC=CC(F)=C1 F52143 [0,2,0,0,0,0|2,0,0]=4 864 B11R1.155 CC(C)(O)C1=CC=CC(Br)=C1 B50147 [0,2,0,0,0,0|2,0,0]=4 865 B11R1.155 CC(C)(O)C1=CC=CC(Br)=N1 B46794 [0,2,0,0,0,0|1,0,0]=3 866 B11R1.155 CC(C)(O)C1=CC=CC(Cl)=N1 C46802 [0,2,0,0,0,0|1,0,0]=3 867 B11R1.155 CC(C)(O)C1=NC=CC(Br)=C1 B46793 [0,2,0,0,0,0|1,0,0]=3 868 B11R1.155 CC(F)(F)C1=CC(Br)=CN=C1 B45317 [0,2,0,0,0,0|2,0,0]=4 869 B11R1.155 C[Si](C)(C)C1=NC=CC(Cl)=C1 C2955 [0,2,0,0,0,0|1,1,0]=4 870 B11R1.155 NC1=CN=CC(C(F)(F)F)=N1 T67814 [0,2,0,0,0,0|2,0,0]=4 871 B11R1.53 CC(C)C1=C(CBr)C=CC=C1 B11974 [0,2,0,0,0,0|2,0,0]=4 872 B11R1.53 CCC1=NC=CN=C1C(C)=O E46656 [0,2,0,0,0,0|1,0,1]=4 873 B11R1.159 CC(C)C1=CC=CC(N)=C1F F50249 [0,2,0,0,0,0|2,0,0]=4 874 B11R1.159 CC1=C(N)C(C(C)C)=NC=C1 P69106 [0,2,0,0,0,0|1,0,0]=3 875 B11R1.167 CC(C)C1=C(F)C=CC(I)=C1 F49705 [0,2,0,0,0,0|2,0,0]=4 876 B11R1.167 CC(C)C1=C(I)C=CC(Br)=C1 B49703 [0,2,0,0,0,0|2,0,0]=4 877 B11R1.74 CC(C)C1=CC(Cl)=NC(N)=N1 C43691 [0,2,0,0,0,0|2,0,0]=4 878 B11R1.266 CC(C)C1=CC=CC(C#N)=N1 C12032 [0,2,0,0,0,0|1,0,0]=3 879 B11R1.266 CC(C)C1=CC=CC(C=O)=C1 P52779 [0,2,0,0,0,0|2,0,0]=4 880 B11R1.266 CC(C)C1=CC=CC(CBr)=C1 B11975 [0,2,0,0,0,0|2,0,0]=4 881 B11R1.266 CC(C)C1=NC=CC(C#N)=C1 P63847 [0,2,0,0,0,0|1,0,0]=3 882 B11R1.266 CN(C)C1=CC=CC(CCl)=N1 C46864 [0,2,0,0,0,0|2,0,0]=4 883 B9R2.50 C1=CC2=C(C=C1)CC2 B68912 [1,0,0,1,0,0|2,0,0]=4 884 B9R2.2 C1=CC(C2CC2)=NN1 C3288 [0,0,0,1,1,0|1,0,0]=3 885 B9R2.2 C1=CN(C2CC2)N=C1 C43183 [0,0,0,1,1,0|1,0,0]=3 886 B9R2.2 C1=CNC(C2CC2)=N1 C1576 [0,0,0,1,1,0|0,0,1]=3 887 B9R2.2 C1=NC(C2CC2)=CN1 C11863 [0,0,0,1,1,0|0,0,1]=3 888 B9R2.2 C1=NNC=C1C2CC2 C43184 [0,0,0,1,1,0|1,0,0]=3 889 B11R2.10 CC1=CC2=NC=CN=C2N1 M60205 [0,0,0,1,0,1|0,0,2]=4 890 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 M13896 [0,0,0,1,0,1|2,0,0]=4 891 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 M15830 [0,0,0,1,0,1|2,0,0]=4 892 B11R2.10 C[C@H]1CC2=CC=CN=C2N1 D64809 [0,0,0,1,0,1|1,0,0]=3 893 B11R2.34 BrC1=CC=C(C2CC2)C=C1 B32033 [0,1,0,1,0,0|2,0,0]=4 894 B11R2.34 BrC1=CN=C(C2CC2)C=C1 B38917 [0,1,0,1,0,0|1,0,0]=3 895 B11R2.34 BrC1=CN=C(C2CC2)N=C1 B15587 [0,1,0,1,0,0|2,0,0]=4 896 B11R2.34 BrC1=NC=C(C2CC2)C=C1 B48875 [0,1,0,1,0,0|1,0,0]=3 897 B11R2.34 BrC1=NC=C(C2CC2)N=C1 B64845 [0,1,0,1,0,0|0,0,0]=2 898 B11R2.34 ClC1=NN=C(C2CC2)C=C1 C45620 [0,1,0,1,0,0|2,0,0]=4 899 B11R2.34 FC1=NC=C(C2CC2)C=C1 C48887 [0,1,0,1,0,0|1,0,0]=3 900 B11R2.34 NC1=CC=C(C2CC2)C=C1 C52090 [0,1,0,1,0,0|2,0,0]=4 901 B11R2.34 NC1=CN=C(C2CC2)C=C1 C46642 [0,1,0,1,0,0|1,0,0]=3 902 B11R2.34 NC1=CN=C(C2CC2)N=C1 A14646 [0,1,0,1,0,0|2,0,0]=4 903 B11R2.34 NC1=NC=C(C2CC2)C=C1 C46640 [0,1,0,1,0,0|1,0,0]=3 904 B11R2.34 O=C1C=CC(C2CC2)=NN1 C45982 [0,1,0,1,0,0|2,0,0]=4 905 B11R2.34 OC1=CC=C(C2CC2)C=C1 C49871 [0,1,0,1,0,0|2,0,0]=4 906 B11R2.34 OC1=NC=C(C2CC2)C=C1 C37180 [0,1,0,1,0,0|1,0,0]=3 907 B11R2.1 CC1=NNC2=NC=CN=C12 M1752 [0,1,0,1,0,0|1,0,1]=4 908 B11R2.1 C[C@H]1CCC2=NC=CN=C21 M46644 [0,1,0,1,0,0|0,0,0]=2 909 B11R2.1 N[C@H]1CCC2=CC=CN=C21 D49490 [0,1,0,1,0,0|2,0,0]=4 910 B11R2.1 N[C@H]1COC2=NC=CC=C21 D64566 [0,1,0,1,0,0|2,0,0]=4 911 B11R2.1 O[C@H]1CCC2=CC=CN=C21 D67550 [0,1,0,1,0,0|2,0,0]=4 912 B11R2.40 NC1(C2=CC=CC=C2)CC1 P64329 [0,1,0,1,0,0|2,0,0]=4 913 B11R2.40 NC1(C2=CC=CN=C2)CC1 P49656 [0,1,0,1,0,0|1,0,0]=3 914 B11R2.40 NC1(C2=NC=CC=C2)CC1 P61647 [0,1,0,1,0,0|1,0,0]=3 915 B11R2.40 NC1(C2=NC=CC=N2)CC1 P14441 [0,1,0,1,0,0|2,0,0]=4 916 B11R2.40 NC1(C2=NC=CC=N2)CC1 P31233 [0,1,0,1,0,0|2,0,0]=4 917 B11R2.40 NC1(C2=NC=CN=C2)CC1 P14585 [0,1,0,1,0,0|0,0,0]=2 918 B11R2.239 C1=CN=C(C2CNC2)C=N1 A46337 [0,1,0,1,0,0|0,0,0]=2 919 B11R2.239 C1=CN=CC(C2CNC2)=C1 A49655 [0,1,0,1,0,0|1,0,0]=3 920 B11R2.988 OC[C@H]1CC2=C1C=CC=C2 B49879 [0,1,0,1,0,0|2,0,0]=4 921 B11R2.55 BrC1=C(C2CC2)N=CC=C1 B48876 [0,1,0,1,0,0|1,0,0]=3 922 B11R2.55 BrC1=C(C2CC2)N=CN=C1 B45616 [0,1,0,1,0,0|2,0,0]=4 923 B11R2.55 BrC1=NC=CC=C1C2CC2 B48874 [0,1,0,1,0,0|1,0,0]=3 924 B11R2.55 ClC1=C(C2CC2)C=NC=C1 C48885 [0,1,0,1,0,0|1,0,0]=3 925 B11R2.55 ClC1=NC=CC=C1C2CC2 C48880 [0,1,0,1,0,0|1,0,0]=3 926 B11R2.55 FC1=NC=CC=C1C2CC2 C48886 [0,1,0,1,0,0|1,0,0]=3 927 B11R2.55 NC1=C(C2CC2)C=CC=C1 C37591 [0,1,0,1,0,0|2,0,0]=4 928 B11R2.55 NC1=NC=CC=C1C2CC2 C46639 [0,1,0,1,0,0|1,0,0]=3 929 B11R2.55 O=C1NC=CC=C1C2CC2 C49264 [0,1,0,1,0,0|1,0,1]=4 930 B11R2.35 BrC1=CC(C2CC2)=CC=C1 B67707 [0,1,0,1,0,0|2,0,0]=4 931 B11R2.35 BrC1=CC(C2CC2)=NC=C1 B37241 [0,1,0,1,0,0|1,0,0]=3 932 B11R2.35 BrC1=CN=CC(C2CC2)=C1 B37616 [0,1,0,1,0,0|1,0,0]=3 933 B11R2.35 NC1=CC(C2CC2)=CC=C1 C49975 [0,1,0,1,0,0|2,0,0]=4 934 B11R2.35 NC1=CC(C2CC2)=CN=C1 C46641 [0,1,0,1,0,0|1,0,0]=3 935 B7R1.1 BrCC1=CSC=C1 B60823 [1,0,0,0,1,0|2,0,0]=4 936 B7R1.1 BrCC1=NC=CN1 B40117 [1,0,0,0,1,0|1,0,1]=4 937 B7R1.1 CCC1=NC=CN1 E68629 [1,0,0,0,1,0|0,0,1]=3 938 B7R1.1 CCC1=NN=CO1 E37555 [1,0,0,0,1,0|2,0,0]=4 939 B7R1.1 CCN1C=CN=N1 E40219 [1,0,0,0,1,0|2,0,0]=4 940 B7R1.1 CCN1C=NC=N1 E40218 [1,0,0,0,1,0|1,0,0]=3 941 B7R1.1 CNC1=NC=CS1 M67793 [1,0,0,0,1,0|2,0,0]=4 942 B7R1.1 CNC1=NC=NS1 M32356 [1,0,0,0,1,0|2,0,0]=4 943 B7R1.1 COC1=CC=CS1 M41123 [1,0,0,0,1,0|2,0,0]=4 944 B7R1.1 COC1=CNN=C1 M20056 [1,0,0,0,1,0|2,0,0]=4 945 B7R1.1 COC1=CSC=C1 M41124 [1,0,0,0,1,0|2,0,0]=4 946 B7R1.1 COC1=NC=CS1 M2608 [1,0,0,0,1,0|2,0,0]=4 947 B7R1.1 CSC1=NC=CO1 M40164 [1,0,0,0,1,0|2,0,0]=4 948 B7R1.1 ClCC1=CN=CS1 C32421 [1,0,0,0,1,0|2,0,0]=4 949 B7R1.1 ClCC1=CNC=N1 C2088 [1,0,0,0,1,0|1,0,1]=4 950 B7R1.1 ClCC1=CSC=N1 C2334 [1,0,0,0,1,0|2,0,0]=4 951 B7R1.1 ClCC1=NC=CO1 C40107 [1,0,0,0,1,0|2,0,0]=4 952 B7R1.1 ClCC1=NOC=N1 C24041 [1,0,0,0,1,0|2,0,0]=4 953 B7R1.1 NCC1=CC=CN1 P41359 [1,0,0,0,1,0|1,0,1]=4 954 B7R1.1 NCC1=CC=CS1 A12813 [1,0,0,0,1,0|2,0,0]=4 955 B7R1.1 NCC1=CC=NO1 K40323 [1,0,0,0,1,0|2,0,0]=4 956 B7R1.1 NCC1=CN=CN1 A69377 [1,0,0,0,1,0|1,0,1]=4 957 B7R1.1 NCC1=CN=CO1 X11178 [1,0,0,0,1,0|2,0,0]=4 958 B7R1.1 NCC1=CN=CO1 X17340 [1,0,0,0,1,0|2,0,0]=4 959 B7R1.1 NCC1=CN=CS1 T11225 [1,0,0,0,1,0|2,0,0]=4 960 B7R1.1 NCC1=CN=CS1 T37607 [1,0,0,0,1,0|2,0,0]=4 961 B7R1.1 NCC1=CN=CS1 T40190 [1,0,0,0,1,0|2,0,0]=4 962 B7R1.1 NCC1=CNC=C1 P26218 [1,0,0,0,1,0|1,0,1]=4 963 B7R1.1 NCC1=CNC=N1 K40332 [1,0,0,0,1,0|1,0,1]=4 964 B7R1.1 NCC1=CNN=C1 A10475 [1,0,0,0,1,0|2,0,0]=4 965 B7R1.1 NCC1=CNN=C1 P17334 [1,0,0,0,1,0|2,0,0]=4 966 B7R1.1 NCC1=CNN=C1 P20267 [1,0,0,0,1,0|2,0,0]=4 967 B7R1.1 NCC1=COC=N1 A40322 [1,0,0,0,1,0|2,0,0]=4 968 B7R1.1 NCC1=COC=N1 O7924 [1,0,0,0,1,0|2,0,0]=4 969 B7R1.1 NCC1=COC=N1 X11296 [1,0,0,0,1,0|2,0,0]=4 970 B7R1.1 NCC1=CON=C1 A14706 [1,0,0,0,1,0|2,0,0]=4 971 B7R1.1 NCC1=CON=C1 I29534 [1,0,0,0,1,0|2,0,0]=4 972 B7R1.1 NCC1=CSC=C1 T41357 [1,0,0,0,1,0|2,0,0]=4 973 B7R1.1 NCC1=CSC=N1 T13924 [1,0,0,0,1,0|2,0,0]=4 974 B7R1.1 NCC1=CSC=N1 T29521 [1,0,0,0,1,0|2,0,0]=4 975 B7R1.1 NCC1=NC=CN1 A14237 [1,0,0,0,1,0|1,0,1]=4 976 B7R1.1 NCC1=NC=CN1 K40331 [1,0,0,0,1,0|1,0,1]=4 977 B7R1.1 NCC1=NC=CS1 A11223 [1,0,0,0,1,0|2,0,0]=4 978 B7R1.1 NCC1=NC=CS1 T11224 [1,0,0,0,1,0|2,0,0]=4 979 B7R1.1 NCC1=NC=CS1 T24256 [1,0,0,0,1,0|2,0,0]=4 980 B7R1.1 NCC1=NNC=C1 P9792 [1,0,0,0,1,0|2,0,0]=4 981 B7R1.1 NCC1=NOC=C1 I29536 [1,0,0,0,1,0|2,0,0]=4 982 B7R1.1 NCC1=NOC=C1 I7943 [1,0,0,0,1,0|2,0,0]=4 983 B7R1.1 NCC1=NSC=C1 I15218 [1,0,0,0,1,0|2,0,0]=4 984 B7R1.1 OCC1=CC=CS1 T12815 [1,0,0,0,1,0|2,0,0]=4 985 B7R1.1 OCC1=CC=NO1 K40159 [1,0,0,0,1,0|2,0,0]=4 986 B7R1.1 OCC1=CN=CN1 I14077 [1,0,0,0,1,0|1,0,1]=4 987 B7R1.1 OCC1=CN=CO1 X14033 [1,0,0,0,1,0|2,0,0]=4 988 B7R1.1 OCC1=CN=CS1 T2166 [1,0,0,0,1,0|2,0,0]=4 989 B7R1.1 OCC1=CNC=N1 H2067 [1,0,0,0,1,0|1,0,1]=4 990 B7R1.1 OCC1=CNN=C1 H1729 [1,0,0,0,1,0|2,0,0]=4 991 B7R1.1 OCC1=COC=C1 F41115 [1,0,0,0,1,0|2,0,0]=4 992 B7R1.1 OCC1=COC=N1 O7923 [1,0,0,0,1,0|2,0,0]=4 993 B7R1.1 OCC1=CON=C1 H14705 [1,0,0,0,1,0|2,0,0]=4 994 B7R1.1 OCC1=CSC=C1 T12827 [1,0,0,0,1,0|2,0,0]=4 995 B7R1.1 OCC1=CSC=N1 T2165 [1,0,0,0,1,0|2,0,0]=4 996 B7R1.1 OCC1=NC=CN1 I38716 [1,0,0,0,1,0|1,0,1]=4 997 B7R1.1 OCC1=NC=CO1 X14019 [1,0,0,0,1,0|2,0,0]=4 998 B7R1.1 OCC1=NC=CS1 H3028 [1,0,0,0,1,0|2,0,0]=4 999 B7R1.1 OCC1=NC=NN1 T39912 [1,0,0,0,1,0|2,0,0]=4 1000 B7R1.1 OCC1=NNC=C1 H7696 [1,0,0,0,1,0|2,0,0]=4 1001 B7R1.1 OCC1=NOC=C1 I11321 [1,0,0,0,1,0|2,0,0]=4 1002 B7R1.1 OCN1C=CC=N1 P9800 [1,0,0,0,1,0|2,0,0]=4 1003 B7R1.1 OCN1C=NC=N1 T39855 [1,0,0,0,1,0|2,0,0]=4