0 B9R1.6 CC(=O)C1=CN=CN=C1 SPC-j094 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.6 CC(=O)C1=CN=NC=C1 SPC-r163 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.6 CC(=O)C1=NC=CC=N1 SPC-k981 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.6 CC(=O)C1=NN=CC=C1 SPC-j101 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.6 CC(C)C1=NC=CC=C1 SPC-g429 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.6 C[C@H](O)C1=CC=CC=C1 SPC-s644 [0,0,0,0,0,0|0,0,0]=0 6 B9R1.6 O=C(O)C1=CN=CN=C1 SPC-g357 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.6 O=C(O)C1=CN=NC=C1 SPC-n492 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.6 O=C(O)C1=NC=CC=N1 SPC-g298 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.6 O=C(O)C1=NC=CN=C1 SPC-g023 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.6 O=C(O)C1=NC=NC=C1 SPC-g351 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.6 O=C(O)C1=NN=CC=C1 SPC-g662 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.6 OB(O)C1=CC=NC=C1 SPC-g497 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.6 OB(O)C1=CN=CC=C1 SPC-g050 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.6 OB(O)C1=CN=CN=C1 SPC-g197 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.2 C#CC1=CC=NC=C1 SPC-g714 [1,0,0,0,0,0|1,0,2]=4 16 B8R1.2 CNC1=CN=CN=C1 SPC-q202 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.2 ClCC1=CN=CN=C1 SPC-g979 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.2 ClCC1=NC=CC=N1 SPC-g783 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.2 ClCC1=NC=CN=C1 SPC-i698 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.2 ClCC1=NN=CC=C1 SPC-j100 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.2 NCC1=CC=CN=N1 SPC-j018 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.2 NCC1=CC=CN=N1 SPC-q241 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.2 NCC1=CC=NC=C1 SPC-k269 [1,0,0,0,0,0|2,0,0]=3 24 B8R1.2 NCC1=CN=CN=C1 SPC-m828 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.2 NCC1=CN=NC=C1 SPC-j016 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.2 NCC1=NC=CC=N1 SPC-g482 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.2 NCC1=NC=CN=C1 SPC-j017 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.2 NCC1=NC=NC=C1 SPC-j019 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.2 NCC1=NC=NC=C1 SPC-j020 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.2 NNC1=CC=CN=C1 SPC-g939 [1,0,0,0,0,0|3,0,0]=4 31 B8R1.2 NNC1=CC=NC=C1 SPC-g941 [1,0,0,0,0,0|3,0,0]=4 32 B8R1.2 O=CC1=CN=CC=C1 SPC-g255 [1,0,0,0,0,0|1,0,2]=4 33 B8R1.2 OCC1=CN=CC=C1 SPC-g084 [1,0,0,0,0,0|1,0,0]=2 34 B8R1.2 OCC1=CN=CN=C1 SPC-g744 [1,0,0,0,0,0|2,0,0]=3 35 B8R1.2 OCC1=CN=NC=C1 SPC-j088 [1,0,0,0,0,0|2,0,0]=3 36 B8R1.2 OCC1=NC=CC=N1 SPC-g700 [1,0,0,0,0,0|2,0,0]=3 37 B8R1.2 OCC1=NC=CN=C1 SPC-g622 [1,0,0,0,0,0|2,0,0]=3 38 B8R1.2 OCC1=NC=NC=C1 SPC-g987 [1,0,0,0,0,0|2,0,0]=3 39 B8R1.2 OCC1=NN=CC=C1 SPC-g951 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.13 CC(C)C1=NC=C(Br)C=N1 SPC-p645 [0,1,0,0,0,0|3,0,0]=4 41 B10R1.13 CC(C)C1=NC=C(N)C=C1 SPC-p736 [0,1,0,0,0,0|2,0,0]=3 42 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 SPC-k101 [0,1,0,0,0,0|2,0,0]=3 43 B10R1.13 C[C@H](O)C1=CN=C(Cl)N=C1 SPC-n881 [0,1,0,0,0,0|2,0,0]=3 44 B10R1.13 FC(F)C1=NC=C(Br)C=C1 SPC-d139 [0,1,0,0,0,0|3,0,0]=4 45 B10R1.13 NC1=CN=C(C(=O)O)C=C1 SPC-g569 [0,1,0,0,0,0|2,0,1]=4 46 B10R1.13 NC1=CN=C(C(F)F)C=C1 SPC-d147 [0,1,0,0,0,0|3,0,0]=4 47 B10R1.13 NC1=NC=C(B(O)O)C=C1 SPC-h371 [0,1,0,0,0,0|3,0,0]=4 48 B10R1.13 NC1=NC=C(C(=O)O)C=C1 SPC-j431 [0,1,0,0,0,0|2,0,1]=4 49 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 SPC-g051 [0,1,0,0,0,0|2,0,1]=4 50 B10R1.13 O=C(O)C1=CN=C(F)C=C1 SPC-p809 [0,1,0,0,0,0|2,0,1]=4 51 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 SPC-g079 [0,1,0,0,0,0|2,0,1]=4 52 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 SPC-t053 [0,1,0,0,0,0|2,0,1]=4 53 B10R1.13 O=C(O)C1=NC=C(O)C=C1 SPC-g279 [0,1,0,0,0,0|2,0,1]=4 54 B10R1.13 O=C1C=CC(C(=O)O)=CO1 SPC-k150 [0,1,0,0,0,0|2,0,1]=4 55 B10R1.13 OB(O)C1=CC=C(F)C=C1 SPC-q618 [0,1,0,0,0,0|2,0,0]=3 56 B10R1.13 OB(O)C1=CC=C(O)C=C1 SPC-s693 [0,1,0,0,0,0|2,0,0]=3 57 B10R1.13 OB(O)C1=CN=C(Br)C=C1 SPC-s705 [0,1,0,0,0,0|3,0,0]=4 58 B10R1.13 OB(O)C1=NC=C(F)C=C1 SPC-s700 [0,1,0,0,0,0|3,0,0]=4 59 B10R1.13 OC1=CN=C(C(F)F)C=C1 SPC-d143 [0,1,0,0,0,0|3,0,0]=4 60 B10R1.15 CC[C@H](N)C1=NC=CN=C1 SPC-n915 [0,1,0,0,0,0|3,0,0]=4 61 B10R1.15 N[C@H](CO)C1=CC=CC=C1 SPC-t740 [0,1,0,0,0,0|1,0,0]=2 62 B10R1.28 CC(C)(O)C1=CC=CC=C1 SPC-g210 [0,1,0,0,0,0|0,0,0]=1 63 B10R1.28 FC(F)(F)C1=CC=NC=C1 SPC-t845 [0,1,0,0,0,0|3,0,0]=4 64 B10R1.28 FC(F)(F)C1=CN=CC=C1 SPC-s901 [0,1,0,0,0,0|3,0,0]=4 65 B10R1.61 CC(=O)C1=C(Br)C=NC=C1 SPC-n890 [0,1,0,0,0,0|1,0,2]=4 66 B10R1.61 CC(=O)C1=C(Cl)C=CC=N1 SPC-n891 [0,1,0,0,0,0|1,0,2]=4 67 B10R1.61 CC(=O)C1=C(F)C=CC=N1 SPC-j546 [0,1,0,0,0,0|1,0,2]=4 68 B10R1.61 CC(=O)C1=C(N)N=CC=C1 SPC-r191 [0,1,0,0,0,0|1,0,2]=4 69 B10R1.61 CC(=O)C1=CC=CN=C1Cl SPC-j606 [0,1,0,0,0,0|1,0,2]=4 70 B10R1.61 CC(C)C1=CC=CN=C1N SPC-s895 [0,1,0,0,0,0|2,0,0]=3 71 B10R1.61 CC1=C(B(O)O)C=CN=C1 SPC-m800 [0,1,0,0,0,0|3,0,0]=4 72 B10R1.61 CC1=C(C(=O)O)C=NC=C1 SPC-g617 [0,1,0,0,0,0|2,0,1]=4 73 B10R1.61 NC1=C(C(=O)O)C=NC=C1 SPC-g169 [0,1,0,0,0,0|2,0,1]=4 74 B10R1.61 NC1=CC=CN=C1C(=O)O SPC-g425 [0,1,0,0,0,0|2,0,1]=4 75 B10R1.61 O=C(O)C1=C(Br)C=NC=C1 SPC-g116 [0,1,0,0,0,0|2,0,1]=4 76 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 SPC-t006 [0,1,0,0,0,0|2,0,1]=4 77 B10R1.61 O=C(O)C1=C(F)C=CC=N1 SPC-g454 [0,1,0,0,0,0|2,0,1]=4 78 B10R1.61 O=C(O)C1=C(F)C=NC=C1 SPC-g759 [0,1,0,0,0,0|2,0,1]=4 79 B10R1.61 O=C(O)C1=CC=CN=C1Br SPC-m969 [0,1,0,0,0,0|2,0,1]=4 80 B10R1.61 O=C(O)C1=NC=CC=C1O SPC-k065 [0,1,0,0,0,0|2,0,1]=4 81 B10R1.61 O=C1NC=CC=C1B(O)O SPC-m435 [0,1,0,0,0,0|3,0,0]=4 82 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 SPC-g746 [0,1,0,0,0,0|1,0,2]=4 83 B10R1.113 CC1=CC(C(=O)O)=CN=C1 SPC-g513 [0,1,0,0,0,0|2,0,1]=4 84 B10R1.113 FC(F)C1=NC=CC(Br)=C1 SPC-d159 [0,1,0,0,0,0|3,0,0]=4 85 B10R1.113 FC(F)C1=NC=CC(Cl)=C1 SPC-d163 [0,1,0,0,0,0|3,0,0]=4 86 B10R1.113 NC1=CC(C(=O)O)=NC=C1 SPC-g504 [0,1,0,0,0,0|2,0,1]=4 87 B10R1.113 NC1=CC(C(F)F)=NC=C1 SPC-d171 [0,1,0,0,0,0|3,0,0]=4 88 B10R1.113 NC1=CC=CC(C(=O)O)=N1 SPC-g233 [0,1,0,0,0,0|2,0,1]=4 89 B10R1.113 NC1=NC=CC(C(=O)O)=C1 SPC-g225 [0,1,0,0,0,0|2,0,1]=4 90 B10R1.113 NC1=NC=CC(C(F)F)=C1 SPC-n101 [0,1,0,0,0,0|3,0,0]=4 91 B10R1.113 O=C(O)C1=CC(Br)=NC=C1 SPC-s846 [0,1,0,0,0,0|2,0,1]=4 92 B10R1.113 O=C(O)C1=CC(Cl)=CN=C1 SPC-g633 [0,1,0,0,0,0|2,0,1]=4 93 B10R1.113 O=C(O)C1=CC(F)=CN=C1 SPC-g694 [0,1,0,0,0,0|2,0,1]=4 94 B10R1.113 O=C(O)C1=CC(O)=NC=C1 SPC-g630 [0,1,0,0,0,0|2,0,1]=4 95 B10R1.113 O=C(O)C1=CC=CC(Br)=N1 SPC-t071 [0,1,0,0,0,0|2,0,1]=4 96 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 SPC-g340 [0,1,0,0,0,0|2,0,1]=4 97 B10R1.113 O=C(O)C1=CN=CC(O)=C1 SPC-g433 [0,1,0,0,0,0|2,0,1]=4 98 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 SPC-k816 [0,1,0,0,0,0|2,0,1]=4 99 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 SPC-t005 [0,1,0,0,0,0|2,0,1]=4 100 B10R1.113 O=C(O)C1=NC=CC(I)=C1 SPC-m662 [0,1,0,0,0,0|2,0,1]=4 101 B10R1.113 O=[N+]([O-])C1=CC=CC(F)=C1 SPC-n990 [0,1,0,0,0,0|2,0,1]=4 102 B10R1.113 OC1=CC(C(F)F)=NC=C1 SPC-d167 [0,1,0,0,0,0|3,0,0]=4 103 B8R1.7 CC(=O)C1=CSC=C1 SPC-g143 [0,0,0,0,1,0|1,0,2]=4 104 B8R1.7 CC(C)N1C=CC=N1 SPC-s737 [0,0,0,0,1,0|3,0,0]=4 105 B8R1.7 O=C(O)C1=CC=CN1 SPC-g146 [0,0,0,0,1,0|2,0,1]=4 106 B8R1.7 O=C(O)C1=COC=C1 SPC-n400 [0,0,0,0,1,0|2,0,1]=4 107 B7R1.3 BrC1=CC=NC=C1 SPC-k219 [2,0,0,0,0,0|2,0,0]=4 108 B7R1.3 CC1=CC=CN=N1 SPC-g427 [2,0,0,0,0,0|2,0,0]=4 109 B7R1.3 CC1=CN=NC=C1 SPC-g520 [2,0,0,0,0,0|2,0,0]=4 110 B7R1.3 CC1=NC=CC=N1 SPC-u374 [2,0,0,0,0,0|2,0,0]=4 111 B7R1.3 CC1=NC=NC=C1 SPC-g053 [2,0,0,0,0,0|2,0,0]=4 112 B7R1.3 FC1=NC=CC=C1 SPC-m992 [2,0,0,0,0,0|2,0,0]=4 113 B7R1.3 OC1=CC=NC=C1 SPC-g124 [2,0,0,0,0,0|1,0,0]=3 114 B7R1.3 OC1=CN=CN=C1 SPC-k979 [2,0,0,0,0,0|2,0,0]=4 115 B7R1.3 [O-]C1=CC=CC=C1 SPC-k243 [2,0,0,0,0,0|0,0,1]=3 116 B7R1.3 [S-]C1=CC=CC=C1 SPC-t743 [2,0,0,0,0,0|0,1,0]=3 117 B7R1.3 [SiH3]C1=CC=CC=C1 SPC-r404 [2,0,0,0,0,0|0,1,0]=3 118 B9R1.1 BrCC1=CN=C(Br)C=C1 SPC-u373 [1,1,0,0,0,0|2,0,0]=4 119 B9R1.1 C#CC1=CC=C(Cl)C=C1 SPC-j149 [1,1,0,0,0,0|0,0,2]=4 120 B9R1.1 C#CC1=CC=C(N)C=C1 SPC-t770 [1,1,0,0,0,0|0,0,2]=4 121 B9R1.1 CC1=CN=C(CO)N=C1 SPC-k972 [1,1,0,0,0,0|2,0,0]=4 122 B9R1.1 CC1=NC=C(CN)C=C1 SPC-j627 [1,1,0,0,0,0|2,0,0]=4 123 B9R1.1 CC1=NC=C(CO)C=N1 SPC-n694 [1,1,0,0,0,0|2,0,0]=4 124 B9R1.1 CCC1=NC=C(Br)C=C1 SPC-n190 [1,1,0,0,0,0|1,0,0]=3 125 B9R1.1 CCC1=NC=C(N)C=N1 SPC-p224 [1,1,0,0,0,0|2,0,0]=4 126 B9R1.1 COC1=CN=C(F)C=C1 SPC-v061 [1,1,0,0,0,0|2,0,0]=4 127 B9R1.1 COC1=CN=C(N)C=C1 SPC-g838 [1,1,0,0,0,0|2,0,0]=4 128 B9R1.1 COC1=NC=C(Br)C=C1 SPC-j898 [1,1,0,0,0,0|2,0,0]=4 129 B9R1.1 COC1=NC=C(N)C=C1 SPC-g246 [1,1,0,0,0,0|2,0,0]=4 130 B9R1.1 ClC1=CN=C(CBr)C=C1 SPC-p092 [1,1,0,0,0,0|2,0,0]=4 131 B9R1.1 FC1=NC=C(CCl)C=C1 SPC-h520 [1,1,0,0,0,0|2,0,0]=4 132 B9R1.1 NC1=NC=C(CO)C=C1 SPC-j263 [1,1,0,0,0,0|1,0,0]=3 133 B9R1.1 NC1=NC=C(CO)C=N1 SPC-r246 [1,1,0,0,0,0|2,0,0]=4 134 B9R1.1 NCC1=CN=C(F)C=C1 SPC-n809 [1,1,0,0,0,0|2,0,0]=4 135 B9R1.1 NCC1=CNC(=O)C=C1 SPC-j609 [1,1,0,0,0,0|2,0,0]=4 136 B9R1.1 NCC1=NC=C(Br)C=C1 SPC-n793 [1,1,0,0,0,0|2,0,0]=4 137 B9R1.1 NNC1=CC=C(F)C=C1 SPC-k289 [1,1,0,0,0,0|2,0,0]=4 138 B9R1.1 OCC1=CN=C(Cl)C=N1 SPC-j255 [1,1,0,0,0,0|2,0,0]=4 139 B9R1.1 OCC1=CN=C(Cl)N=C1 SPC-j253 [1,1,0,0,0,0|2,0,0]=4 140 B9R1.1 OCC1=NC=C(Br)C=N1 SPC-r245 [1,1,0,0,0,0|2,0,0]=4 141 B9R1.1 OCC1=NC=C(Cl)C=N1 SPC-k980 [1,1,0,0,0,0|2,0,0]=4 142 B9R1.1 OCC1=NC=C(F)C=C1 SPC-h241 [1,1,0,0,0,0|1,0,0]=3 143 B9R1.1 OCC1=NC=C(F)C=N1 SPC-k787 [1,1,0,0,0,0|2,0,0]=4 144 B9R1.1 OCC1=NN=C(Cl)C=C1 SPC-m095 [1,1,0,0,0,0|2,0,0]=4 145 B9R1.2 CC1=CC(CCl)=CN=C1 SPC-s888 [1,1,0,0,0,0|2,0,0]=4 146 B9R1.2 CC1=CC(CO)=CN=C1 SPC-j744 [1,1,0,0,0,0|1,0,0]=3 147 B9R1.2 CC1=CC(CO)=NC=N1 SPC-k988 [1,1,0,0,0,0|2,0,0]=4 148 B9R1.2 CC1=CC(CO)=NN=C1 SPC-n800 [1,1,0,0,0,0|2,0,0]=4 149 B9R1.2 CC1=CC=NC(CO)=N1 SPC-k971 [1,1,0,0,0,0|2,0,0]=4 150 B9R1.2 CCC1=CC(Br)=NC=C1 SPC-v193 [1,1,0,0,0,0|1,0,0]=3 151 B9R1.2 CCC1=NC=CC(N)=C1 SPC-p223 [1,1,0,0,0,0|1,0,0]=3 152 B9R1.2 COC1=CN=CC(N)=C1 SPC-r210 [1,1,0,0,0,0|2,0,0]=4 153 B9R1.2 COC1=NC=CC(N)=C1 SPC-g039 [1,1,0,0,0,0|2,0,0]=4 154 B9R1.2 ClCC1=CC(Cl)=CN=C1 SPC-h899 [1,1,0,0,0,0|2,0,0]=4 155 B9R1.2 ClCC1=CC(Cl)=NC=C1 SPC-g732 [1,1,0,0,0,0|2,0,0]=4 156 B9R1.2 FC1=CC(CCl)=CN=C1 SPC-m549 [1,1,0,0,0,0|2,0,0]=4 157 B9R1.2 NC1=NC=CC(CO)=C1 SPC-j636 [1,1,0,0,0,0|1,0,0]=3 158 B9R1.2 NCC1=CC(=O)NC=C1 SPC-u408 [1,1,0,0,0,0|2,0,0]=4 159 B9R1.2 NCC1=CC(Cl)=NC=C1 SPC-h235 [1,1,0,0,0,0|2,0,0]=4 160 B9R1.2 NCC1=CC(F)=CN=C1 SPC-k106 [1,1,0,0,0,0|2,0,0]=4 161 B9R1.2 NCC1=NC=CC(Br)=C1 SPC-j733 [1,1,0,0,0,0|2,0,0]=4 162 B9R1.2 NCC1=NC=CC(Br)=C1 SPC-t389 [1,1,0,0,0,0|2,0,0]=4 163 B9R1.2 NCC1=NC=CC(Cl)=C1 SPC-n779 [1,1,0,0,0,0|2,0,0]=4 164 B9R1.2 NCC1=NC=CC(Cl)=C1 SPC-v340 [1,1,0,0,0,0|2,0,0]=4 165 B9R1.2 O=C1C=C(CO)C=CN1 SPC-j416 [1,1,0,0,0,0|1,0,0]=3 166 B9R1.2 OCC1=CC(Br)=CN=C1 SPC-g623 [1,1,0,0,0,0|1,0,0]=3 167 B9R1.2 OCC1=CC(Cl)=NC=N1 SPC-k900 [1,1,0,0,0,0|2,0,0]=4 168 B9R1.2 OCC1=CC(F)=CN=C1 SPC-h492 [1,1,0,0,0,0|1,0,0]=3 169 B9R1.2 OCC1=NC=CC(Br)=C1 SPC-h210 [1,1,0,0,0,0|1,0,0]=3 170 B9R1.8 CNCC1=CN=CN=C1 SPC-q180 [1,1,0,0,0,0|2,0,0]=4 171 B9R1.8 CNCC1=NC=CC=N1 SPC-q184 [1,1,0,0,0,0|2,0,0]=4 172 B9R1.8 NCCC1=NC=CC=N1 SPC-p100 [1,1,0,0,0,0|2,0,0]=4 173 B9R1.8 NCCC1=NC=NC=C1 SPC-u400 [1,1,0,0,0,0|2,0,0]=4 174 B9R1.8 NNCC1=CC=CN=C1 SPC-g976 [1,1,0,0,0,0|2,0,0]=4 175 B9R1.8 NNCC1=CC=NC=C1 SPC-j054 [1,1,0,0,0,0|2,0,0]=4 176 B9R1.8 NNCC1=CC=NC=C1 SPC-p443 [1,1,0,0,0,0|2,0,0]=4 177 B9R1.8 NNCC1=NC=CC=C1 SPC-g975 [1,1,0,0,0,0|2,0,0]=4 178 B9R1.15 C#CC1=C(N)C=CC=C1 SPC-m355 [1,1,0,0,0,0|0,0,2]=4 179 B9R1.15 CC1=C(CBr)C=CC=N1 SPC-s887 [1,1,0,0,0,0|2,0,0]=4 180 B9R1.15 CC1=C(CCl)C=CN=C1 SPC-p437 [1,1,0,0,0,0|2,0,0]=4 181 B9R1.15 CC1=C(CN)C=NC=C1 SPC-m008 [1,1,0,0,0,0|2,0,0]=4 182 B9R1.15 CC1=C(CO)C=CN=C1 SPC-n741 [1,1,0,0,0,0|1,0,0]=3 183 B9R1.15 CC1=C(CO)C=NC=C1 SPC-r211 [1,1,0,0,0,0|1,0,0]=3 184 B9R1.15 CC1=NC=CN=C1CO SPC-m052 [1,1,0,0,0,0|2,0,0]=4 185 B9R1.15 CCC1=C(Br)C=CN=C1 SPC-i884 [1,1,0,0,0,0|1,0,0]=3 186 B9R1.15 CCC1=C(Br)C=CN=C1 SPC-r184 [1,1,0,0,0,0|1,0,0]=3 187 B9R1.15 CCC1=C(Br)C=NC=C1 SPC-p344 [1,1,0,0,0,0|1,0,0]=3 188 B9R1.15 CCC1=C(F)C=NC=N1 SPC-k117 [1,1,0,0,0,0|2,0,0]=4 189 B9R1.15 COC1=NC=CC=C1N SPC-t771 [1,1,0,0,0,0|2,0,0]=4 190 B9R1.15 ClCC1=CC=CN=C1Cl SPC-h092 [1,1,0,0,0,0|2,0,0]=4 191 B9R1.15 NCC1=C(Cl)C=CC=N1 SPC-u229 [1,1,0,0,0,0|2,0,0]=4 192 B9R1.15 NCC1=C(F)C=CC=N1 SPC-j562 [1,1,0,0,0,0|2,0,0]=4 193 B9R1.15 NCC1=C(F)C=CC=N1 SPC-t905 [1,1,0,0,0,0|2,0,0]=4 194 B9R1.15 O=C1NC=CC=C1CO SPC-n030 [1,1,0,0,0,0|1,0,0]=3 195 B9R1.15 O=CC1=C(I)C=CC=C1 SPC-g445 [1,1,0,0,0,0|0,0,2]=4 196 B9R1.15 OCC1=C(F)C=CC=N1 SPC-h122 [1,1,0,0,0,0|1,0,0]=3 197 B9R1.15 OCC1=C(F)C=CN=C1 SPC-n782 [1,1,0,0,0,0|1,0,0]=3 198 B9R1.15 OCC1=C(F)C=NC=C1 SPC-j545 [1,1,0,0,0,0|1,0,0]=3 199 B9R1.15 OCC1=CC=CN=C1Cl SPC-g018 [1,1,0,0,0,0|1,0,0]=3 200 B9R1.15 OCC1=NC=CN=C1Cl SPC-m584 [1,1,0,0,0,0|2,0,0]=4 201 B9R1.35 C[C@H](O)C1=CC(Br)=CS1 SPC-n667 [0,1,0,0,1,0|1,0,0]=3 202 B9R1.35 C[C@H](O)C1=CSC(Cl)=C1 SPC-k870 [0,1,0,0,1,0|1,0,0]=3 203 B11R1.20 CC(C)OC1=CC=C(N)C=C1 SPC-s967 [0,1,0,0,0,1|1,0,0]=3 204 B11R1.20 CC(C)OC1=NC=C(N)C=C1 SPC-v002 [0,1,0,0,0,1|2,0,0]=4 205 B11R1.36 O[C@H](C1=CC=CC=C1)C(F)F SPC-d078 [0,1,0,0,0,1|2,0,0]=4 206 B11R1.3 C#CC1=CC=C(C(=O)O)C=C1 SPC-t403 [0,2,0,0,0,0|1,0,1]=4 207 B11R1.3 N#CC1=CC=C(B(O)O)C=C1 SPC-k202 [0,2,0,0,0,0|2,0,0]=4 208 B11R1.3 O=CC1=CC=C(B(O)O)C=C1 SPC-m416 [0,2,0,0,0,0|2,0,0]=4 209 B11R1.3 OCC1=CC=C(B(O)O)C=C1 SPC-n859 [0,2,0,0,0,0|2,0,0]=4 210 B11R1.19 CC(C)(C)C1=CN=C(Br)C=C1 SPC-v127 [0,2,0,0,0,0|2,0,0]=4 211 B11R1.19 CC(C)(C)C1=CN=C(Cl)C=C1 SPC-u436 [0,2,0,0,0,0|2,0,0]=4 212 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 SPC-h020 [0,2,0,0,0,0|2,0,0]=4 213 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 SPC-m758 [0,2,0,0,0,0|2,0,0]=4 214 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 SPC-t952 [0,2,0,0,0,0|2,0,0]=4 215 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 SPC-u837 [0,2,0,0,0,0|2,0,0]=4 216 B11R1.166 CC(=O)C1=C(F)C=C(Br)C=C1 SPC-r400 [0,2,0,0,0,0|0,0,2]=4 217 B11R1.166 CC(C)N1C=CC(N)=CC1=O SPC-r188 [0,2,0,0,0,0|2,0,0]=4 218 B11R1.166 CC1=C(C(=O)O)C=CC(Br)=C1 SPC-k301 [0,2,0,0,0,0|1,0,1]=4 219 B11R1.166 CC1=CC(F)=C(B(O)O)C=C1 SPC-g472 [0,2,0,0,0,0|2,0,0]=4 220 B11R1.166 CC1=CC(O)=C(B(O)O)C=C1 SPC-p924 [0,2,0,0,0,0|2,0,0]=4 221 B11R1.166 O=C(O)C1=C(Cl)C=C(F)C=C1 SPC-k263 [0,2,0,0,0,0|1,0,1]=4 222 B11R1.7 NCC(F)(F)C1=NC=CC=C1 SPC-n008 [0,2,0,0,0,0|2,0,0]=4 223 B11R1.7 OCC(F)(F)C1=NC=CC=C1 SPC-h949 [0,2,0,0,0,0|2,0,0]=4 224 B11R1.23 O=C(CBr)C1=CC=CC(Br)=C1 SPC-t754 [0,2,0,0,0,0|0,0,2]=4 225 B11R1.53 CC(C)C1=C(CBr)C=CC=C1 SPC-m453 [0,2,0,0,0,0|1,0,0]=3 226 B11R1.156 CC(=O)C1=C(Cl)C=CC=C1O SPC-t777 [0,2,0,0,0,0|0,0,2]=4 227 B11R1.156 O=C(O)C1=C(Br)C=CC=C1F SPC-g499 [0,2,0,0,0,0|1,0,1]=4 228 B11R1.159 OB(O)C1=CC=CC(F)=C1Cl SPC-n684 [0,2,0,0,0,0|2,0,0]=4 229 B11R1.167 CC1=C(C(=O)O)C=C(Br)C=C1 SPC-k299 [0,2,0,0,0,0|1,0,1]=4 230 B11R1.167 CC1=CC(C(=O)O)=C(I)C=C1 SPC-g542 [0,2,0,0,0,0|1,0,1]=4 231 B11R1.167 O=C(O)C1=C(I)C=CC(Br)=C1 SPC-g237 [0,2,0,0,0,0|1,0,1]=4 232 B11R1.74 CC(C)C1=CC(O)=CC(=O)O1 SPC-r358 [0,2,0,0,0,0|2,0,0]=4 233 B11R1.266 C#CC1=CC=CC(B(O)O)=C1 SPC-k166 [0,2,0,0,0,0|2,0,0]=4 234 B11R1.266 CC(C)C1=CC=CC(C#N)=N1 SPC-m543 [0,2,0,0,0,0|2,0,0]=4 235 B11R2.4 NC1CC1C2=CC=CC=C2 SPC-q828 [0,0,0,1,0,1|1,0,0]=3 236 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 SPC-n633 [0,0,0,1,0,1|1,0,0]=3 237 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 SPC-p937 [0,0,0,1,0,1|1,0,0]=3 238 B11R2.10 C[C@@H]1CC2=C(C=CC=C2)N1 SPC-q921 [0,0,0,1,0,1|1,0,0]=3 239 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 SPC-s041 [0,0,0,1,0,1|1,0,0]=3 240 B11R2.1 CC1=CNC2=C1C=CC=C2 SPC-g422 [0,1,0,1,0,0|1,0,1]=4 241 B11R2.1 CC1=NNC2=C1C=CC=C2 SPC-m579 [0,1,0,1,0,0|1,0,1]=4 242 B11R2.1 O=C1NCC2=C1C=CC=C2 SPC-m482 [0,1,0,1,0,0|0,0,2]=4 243 B11R2.40 NC1(C2=CC=NC=C2)CC1 SPC-n917 [0,1,0,1,0,0|2,0,0]=4 244 B11R2.239 C1=CC=C(C2COC2)C=C1 SPC-a273 [0,1,0,1,0,0|0,0,0]=2 245 B11R2.239 C1=CN=C(C2CNC2)C=C1 SPC-v060 [0,1,0,1,0,0|2,0,0]=4 246 B11R2.35 ClC1=NC=CC(C2CC2)=C1 SPC-p197 [0,1,0,1,0,0|2,0,0]=4 247 B7R1.1 OCC1=CNC=N1 SPC-s789 [1,0,0,0,1,0|2,0,0]=4 248 B7R1.1 OCC1=CNN=C1 SPC-j657 [1,0,0,0,1,0|2,0,0]=4 249 B7R1.1 OCC1=COC=N1 SPC-k823 [1,0,0,0,1,0|2,0,0]=4 250 B7R1.1 OCC1=NNC=C1 SPC-j656 [1,0,0,0,1,0|2,0,0]=4 251 B7R1.1 OCC1=NOC=C1 SPC-k850 [1,0,0,0,1,0|2,0,0]=4 252 B11R1.91 CC(=O)CCC1=CC=CC=C1 SPC-k266 [0,0,0,0,0,2|0,0,2]=4