0 B10R1.20 COC1=C(C=O)C=CC=N1 SPC-g793 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.20 COC1=C(CN)C=CN=C1 SPC-r235 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.20 COC1=NC=CC=C1CN SPC-j644 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.20 COC1=NC=CC=C1CO SPC-j643 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.15 C#CC1=C(N)C=CC=C1 SPC-m355 [1,0,0,0,0,0|1,0,2]=4 5 B9R1.15 CC1=C(C#N)C=CC=N1 SPC-j817 [1,0,0,0,0,0|2,0,1]=4 6 B9R1.15 CC1=C(C=O)C=CC=N1 SPC-m999 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.15 CC1=C(C=O)C=NC=C1 SPC-n153 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.15 CC1=C(CBr)C=CC=N1 SPC-s887 [1,0,0,0,0,0|2,0,1]=4 9 B9R1.15 CC1=C(CCl)C=CN=C1 SPC-p437 [1,0,0,0,0,0|2,0,1]=4 10 B9R1.15 CC1=C(CN)C=NC=C1 SPC-m008 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.15 CC1=C(CO)C=CN=C1 SPC-n741 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.15 CC1=C(CO)C=NC=C1 SPC-r211 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.15 CC1=CC=CN=C1C#N SPC-m683 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.15 CCC1=C(Br)C=CN=C1 SPC-i884 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.15 CCC1=C(Br)C=CN=C1 SPC-r184 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.15 CCC1=C(Br)C=NC=C1 SPC-p344 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.15 COC1=NC=CC=C1N SPC-t771 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.15 N#CC1=CC=CN=C1O SPC-j373 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.15 NC1=C(C=O)C=CC=N1 SPC-r422 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.15 NC1=C(C=O)C=CN=C1 SPC-h393 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.15 NC1=C(C=O)C=NC=C1 SPC-n111 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.15 O=CC1=C(Br)C=CN=C1 SPC-r187 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.15 O=CC1=C(Cl)C=CN=C1 SPC-j931 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.15 O=CC1=C(F)C=NC=C1 SPC-g824 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.15 O=CC1=C(I)C=CC=C1 SPC-g445 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.15 O=CC1=CC=CN=C1Cl SPC-g097 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.15 O=CC1=NC=CC=C1O SPC-m154 [1,0,0,0,0,0|2,0,0]=3 28 B11R1.37 COC1=NC=C(Br)C=C1C=O SPC-j666 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.37 COC1=NC=C(Br)C=C1CO SPC-j667 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.37 COC1=NC=C(F)C=C1CO SPC-v142 [0,1,0,0,0,0|2,0,1]=4 31 B11R1.53 CC(C)C1=C(CBr)C=CC=C1 SPC-m453 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.53 COC1=C(C(C)=O)C=NC=C1 SPC-s730 [0,1,0,0,0,0|1,0,1]=3 33 B11R2.1 BrC1=NNC2=C1C=CC=C2 SPC-g767 [0,0,0,1,0,0|3,0,0]=4 34 B11R2.1 CC1=CNC2=C1C=CC=C2 SPC-g422 [0,0,0,1,0,0|2,0,0]=3 35 B11R2.1 CC1=CNC2=C1C=NC=C2 SPC-q661 [0,0,0,1,0,0|3,0,0]=4 36 B11R2.1 CC1=CNC2=NC=CC=C12 SPC-h202 [0,0,0,1,0,0|3,0,0]=4 37 B11R2.1 CC1=NNC2=C1C=CC=C2 SPC-m579 [0,0,0,1,0,0|2,0,1]=4 38 B11R2.1 CN1C=CC2=C1C=NC=C2 SPC-u713 [0,0,0,1,0,0|2,0,0]=3 39 B11R2.1 ClC1=CNC2=C1C=CC=C2 SPC-n094 [0,0,0,1,0,0|2,0,1]=4 40 B11R2.1 IC1=NNC2=C1C=CC=C2 SPC-g726 [0,0,0,1,0,0|3,0,0]=4 41 B11R2.1 NC1=NOC2=C1N=CC=C2 SPC-u414 [0,0,0,1,0,0|3,0,0]=4 42 B11R2.1 O=C1CCC2=C1C=CC=N2 SPC-n233 [0,0,0,1,0,0|3,0,0]=4 43 B11R2.1 O=C1CCC2=C1C=CN=C2 SPC-q607 [0,0,0,1,0,0|3,0,0]=4 44 B11R2.1 O=C1NCC2=C1C=CC=C2 SPC-m482 [0,0,0,1,0,0|3,0,0]=4 45 B11R2.20 C1=CC2=C(C=C1)CNCC2 SPC-t693 [0,0,0,1,0,0|2,0,1]=4 46 B11R2.20 C1=CC=C2N=CN=CC2=C1 SPC-k265 [0,0,0,1,0,0|2,0,1]=4 47 B9R1.14 COC1=C(C=O)C=CS1 SPC-n025 [0,0,0,0,1,0|2,0,0]=3 48 B8R1.2 O=CC1=CN=CC=C1 SPC-g255 [2,0,0,0,0,0|2,0,0]=4 49 B8R1.5 CC1=C(Br)C=CC=N1 SPC-s912 [2,0,0,0,0,0|2,0,0]=4 50 B8R1.5 CC1=C(Br)C=CN=C1 SPC-g505 [2,0,0,0,0,0|2,0,0]=4 51 B8R1.5 CC1=C(N)C=NC=C1 SPC-t017 [2,0,0,0,0,0|2,0,0]=4 52 B8R1.5 CC1=C(O)C=CC=N1 SPC-g264 [2,0,0,0,0,0|1,0,1]=4 53 B8R1.5 CC1=CC=CN=C1Br SPC-g509 [2,0,0,0,0,0|2,0,0]=4 54 B8R1.5 CC1=CC=CN=C1Cl SPC-k262 [2,0,0,0,0,0|2,0,0]=4 55 B8R1.5 NC1=CC=CN=C1O SPC-k107 [2,0,0,0,0,0|2,0,0]=4 56 B8R1.5 O=C1C=COC=C1O SPC-n061 [2,0,0,0,0,0|2,0,0]=4 57 B8R1.5 OC1=CC=CN=C1Br SPC-p191 [2,0,0,0,0,0|2,0,0]=4 58 B8R1.5 OC1=CC=CN=C1F SPC-r423 [2,0,0,0,0,0|2,0,0]=4 59 B10R1.2 COC1=C(Br)C(N)=CC=N1 SPC-k829 [1,1,0,0,0,0|2,0,0]=4 60 B10R1.2 COC1=C(Cl)C(N)=CC=C1 SPC-p195 [1,1,0,0,0,0|1,0,0]=3 61 B10R1.2 COC1=C(I)C(N)=CC=N1 SPC-p390 [1,1,0,0,0,0|2,0,0]=4 62 B10R1.2 COC1=CC=CC(Br)=C1O SPC-k449 [1,1,0,0,0,0|1,0,0]=3 63 B10R1.2 O=CC1=CC=CC(Br)=C1F SPC-t759 [1,1,0,0,0,0|2,0,0]=4 64 B10R1.25 COC1=C(Cl)C=C(N)N=C1 SPC-t002 [1,1,0,0,0,0|2,0,0]=4 65 B10R1.25 COC1=C(F)C=C(Br)C=C1 SPC-g047 [1,1,0,0,0,0|1,0,0]=3 66 B10R1.25 COC1=NC=C(Br)C=C1N SPC-g377 [1,1,0,0,0,0|2,0,0]=4 67 B10R1.25 COC1=NC=C(Br)C=C1O SPC-r179 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.25 NC1=C(C=O)C=CC(Br)=C1 SPC-u337 [1,1,0,0,0,0|2,0,0]=4 69 B10R1.25 O=CC1=C(Br)C=C(Cl)C=C1 SPC-g540 [1,1,0,0,0,0|2,0,0]=4 70 B10R1.25 O=CC1=C(F)C=C(Br)C=C1 SPC-g415 [1,1,0,0,0,0|2,0,0]=4 71 B10R1.30 NC1=C(C=O)C=C(Br)C=C1 SPC-r401 [1,1,0,0,0,0|2,0,0]=4 72 B10R1.30 O=CC1=C(Br)C=CC(F)=C1 SPC-v716 [1,1,0,0,0,0|2,0,0]=4 73 B10R1.61 CC1=C(C(=O)O)C=NC=C1 SPC-g617 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.61 O=C(O)C1=NC=CC=C1O SPC-k065 [1,1,0,0,0,0|2,0,0]=4 75 B10R1.245 C=CC1=C(Br)C=CN=C1O SPC-r198 [1,1,0,0,0,0|1,0,0]=3 76 B10R1.245 C=CC1=C(Cl)C=CN=C1O SPC-r196 [1,1,0,0,0,0|1,0,0]=3 77 B10R1.245 C=CC1=C(F)C=CN=C1O SPC-r197 [1,1,0,0,0,0|1,0,0]=3 78 B10R1.245 C=CC1=C(I)C=CN=C1O SPC-q525 [1,1,0,0,0,0|1,0,0]=3 79 B10R1.245 CC1=CC=CC(C)=C1CBr SPC-t676 [1,1,0,0,0,0|1,0,1]=4 80 B10R1.245 COC1=C(C)NC=CC1=O SPC-n071 [1,1,0,0,0,0|1,0,1]=4 81 B10R1.245 COC1=C(Cl)C=CN=C1C SPC-m314 [1,1,0,0,0,0|1,0,1]=4 82 B10R1.245 N#CC1=C(Cl)C=CC=C1O SPC-k123 [1,1,0,0,0,0|1,0,1]=4 83 B10R1.245 NC1=CC=CC(Br)=C1C=O SPC-j818 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.245 O=CC1=C(Cl)C=CC=C1O SPC-p206 [1,1,0,0,0,0|1,0,0]=3 85 B12R1.57 COC1=CC(Cl)=CN=C1C(=O)O SPC-k091 [0,2,0,0,0,0|2,0,0]=4 86 B12R1.75 COC1=CC=CN=C1CC(=O)[O-] SPC-q247 [0,2,0,0,0,0|1,0,1]=4 87 B12R1.75 NCC1=C(OC(F)F)C=CC=C1 SPC-s752 [0,2,0,0,0,0|1,0,1]=4 88 B10R1.172 COC1=CC(C=O)=CN=C1 SPC-g844 [0,0,1,1,0,0|2,0,0]=4 89 B10R1.172 COC1=NC=CC(C=O)=C1 SPC-h062 [0,0,1,1,0,0|2,0,0]=4 90 B10R1.176 COC1=CC(I)=C(N)C=C1 SPC-r017 [0,0,1,1,0,0|2,0,0]=4 91 B10R2.7 C1=CC2=C(C=C1)CNC2 SPC-t877 [1,0,0,1,0,0|1,0,1]=4 92 B10R2.7 C1=CC2=C(C=C1)NN=C2 SPC-m915 [1,0,0,1,0,0|2,0,0]=4 93 B10R2.7 C1=CC2=C(C=CN2)C=N1 SPC-g447 [1,0,0,1,0,0|2,0,0]=4 94 B10R2.7 C1=CC2=C(C=CO2)N=C1 SPC-q050 [1,0,0,1,0,0|1,0,0]=3 95 B10R2.7 C1=CC2=C(C=N1)NC=C2 SPC-g648 [1,0,0,1,0,0|2,0,0]=4 96 B10R2.7 C1=CC2=CC=NN2C=C1 SPC-r143 [1,0,0,1,0,0|2,0,0]=4 97 B10R2.7 C1=CN=C2C=CNC2=C1 SPC-g455 [1,0,0,1,0,0|2,0,0]=4 98 B10R2.7 C1=CN=C2NC=CC2=C1 SPC-g154 [1,0,0,1,0,0|2,0,0]=4 99 B12R2.24 BrC1=CC2=CC=CC=C2C=N1 SPC-j292 [0,1,0,1,0,0|2,0,0]=4 100 B12R2.24 BrC1=CC2=CC=NC=C2C=C1 SPC-k785 [0,1,0,1,0,0|2,0,0]=4 101 B12R2.24 BrC1=CC2=CN=CC=C2C=C1 SPC-t090 [0,1,0,1,0,0|2,0,0]=4 102 B12R2.24 BrC1=CC2=NC=CC=C2C=C1 SPC-t758 [0,1,0,1,0,0|1,0,1]=4 103 B12R2.24 CC1=NC2=CC=CN=C2C=C1 SPC-j552 [0,1,0,1,0,0|2,0,0]=4 104 B12R2.24 ClC1=CC2=CC=CC=C2C=N1 SPC-t885 [0,1,0,1,0,0|2,0,0]=4 105 B12R2.24 NC1=CC=C2C=NC=CC2=C1 SPC-k323 [0,1,0,1,0,0|2,0,0]=4 106 B12R2.24 O=C1C=C2C=CC=CC2=CN1 SPC-m478 [0,1,0,1,0,0|2,0,0]=4 107 B12R2.132 CC1=CNC2=C1C=C(Br)C=C2 SPC-h044 [0,1,0,1,0,0|2,0,0]=4 108 B12R2.132 CC1=CNC2=C1C=C(Cl)C=C2 SPC-m711 [0,1,0,1,0,0|2,0,0]=4 109 B12R2.132 CN1C=CC2=NC=C(Br)C=C21 SPC-t409 [0,1,0,1,0,0|2,0,0]=4 110 B12R2.132 CN1C=NC2=C1C=C(Br)C=C2 SPC-p763 [0,1,0,1,0,0|2,0,0]=4 111 B12R2.132 CN1N=CC2=C1C=C(Br)C=C2 SPC-g568 [0,1,0,1,0,0|2,0,0]=4 112 B12R2.132 CN1N=CC2=C1C=C(N)C=C2 SPC-g924 [0,1,0,1,0,0|2,0,0]=4 113 B12R2.132 O=C1CCC2=C1C=C(Br)C=C2 SPC-g292 [0,1,0,1,0,0|2,0,0]=4 114 B12R2.132 O=C1CCC2=C1C=C(Cl)C=C2 SPC-g641 [0,1,0,1,0,0|2,0,0]=4 115 B12R2.612 CC1=CNC2=C1C=CC(Br)=C2 SPC-p772 [0,1,0,1,0,0|2,0,0]=4 116 B12R2.612 CC1=CNC2=C1C=CC(N)=C2 SPC-p402 [0,1,0,1,0,0|2,0,0]=4 117 B12R2.612 CC1=CNC2=C1C=CC(O)=C2 SPC-t978 [0,1,0,1,0,0|2,0,0]=4 118 B12R2.612 CN1C=CC2=CC(Br)=CN=C21 SPC-h293 [0,1,0,1,0,0|2,0,0]=4 119 B12R2.612 CN1C=CC2=CC(N)=CN=C21 SPC-j471 [0,1,0,1,0,0|2,0,0]=4 120 B12R2.612 CN1C=NC2=C1C=CC(Br)=C2 SPC-p643 [0,1,0,1,0,0|2,0,0]=4 121 B12R2.612 CN1N=CC2=C1C=CC(Br)=C2 SPC-g666 [0,1,0,1,0,0|2,0,0]=4 122 B12R2.612 CN1N=CC2=C1C=CC(N)=C2 SPC-j457 [0,1,0,1,0,0|2,0,0]=4 123 B12R2.612 O=C1COC2=C1C=CC(Br)=C2 SPC-u370 [0,1,0,1,0,0|1,0,0]=3 124 B12R2.18 CN1N=C2C=CC=CC2=C1Br SPC-t616 [0,1,0,1,0,0|2,0,0]=4 125 B12R2.315 COC1=C2C=CNC2=NC=C1 SPC-h088 [0,1,0,1,0,0|1,0,0]=3 126 B12R2.315 COC1=C2NC=CC2=NC=C1 SPC-q665 [0,1,0,1,0,0|1,0,0]=3 127 B12R2.315 COC1=NC=CC2=C1C=CN2 SPC-p581 [0,1,0,1,0,0|1,0,0]=3 128 B12R2.315 COC1=NC=CC2=C1NC=C2 SPC-m535 [0,1,0,1,0,0|1,0,0]=3 129 B12R2.315 NCC1=C2NC=CC2=CC=C1 SPC-s793 [0,1,0,1,0,0|2,0,0]=4 130 B12R2.315 OCC1=C2NC=CC2=CC=C1 SPC-q919 [0,1,0,1,0,0|2,0,0]=4 131 B12R2.315 OCC1=C2OC=CC2=CC=C1 SPC-t087 [0,1,0,1,0,0|2,0,0]=4 132 B12R2.1081 BrC1=CC=CC2=CC=NC=C12 SPC-g341 [0,1,0,1,0,0|2,0,0]=4 133 B12R2.1081 IC1=CC=CC2=CC=CN=C12 SPC-j897 [0,1,0,1,0,0|1,0,1]=4 134 B12R2.1081 NC1=C2N=CC=CC2=CC=C1 SPC-h712 [0,1,0,1,0,0|1,0,1]=4 135 B12R2.1081 NC1=CC=CC2=C1OCCO2 SPC-m593 [0,1,0,1,0,0|1,0,1]=4 136 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 SPC-j355 [0,1,0,1,0,0|1,0,1]=4 137 B12R2.1081 O=C1COCC2=C1C=CC=C2 SPC-j356 [0,1,0,1,0,0|1,0,0]=3 138 B12R2.1081 O=C1NCCC2=C1C=CC=C2 SPC-s102 [0,1,0,1,0,0|2,0,0]=4 139 B12R2.2048 COC1=C([C@@H]2CO2)C=CC=C1 SPC-u733 [0,1,0,1,0,0|0,0,2]=4 140 B12R2.2048 COC1=C([C@H]2CO2)C=CC=C1 SPC-s661 [0,1,0,1,0,0|0,0,2]=4 141 B12R2.2028 CN1N=C(I)C2=C1C=CC=C2 SPC-n062 [0,1,0,1,0,0|2,0,0]=4 142 B12R2.196 CN1C=CC2=C(Br)C=CN=C21 SPC-j468 [0,1,0,1,0,0|2,0,0]=4 143 B12R2.196 CN1C=CC2=C(Cl)C=CN=C21 SPC-j467 [0,1,0,1,0,0|2,0,0]=4 144 B12R2.196 CN1N=CC2=C(Br)C=CC=C21 SPC-h207 [0,1,0,1,0,0|2,0,0]=4 145 B12R2.196 CN1N=CC2=C(I)C=CC=C21 SPC-t013 [0,1,0,1,0,0|2,0,0]=4 146 B12R2.196 O=C1CCC2=C(Br)C=CC=C12 SPC-g231 [0,1,0,1,0,0|2,0,0]=4 147 B12R2.196 O=C1CCC2=C(Cl)C=CC=C12 SPC-g553 [0,1,0,1,0,0|2,0,0]=4 148 B12R2.196 O=C1COC2=C(Br)C=CC=C12 SPC-s411 [0,1,0,1,0,0|1,0,0]=3 149 B12R2.203 CC1=CNC2=C1C(N)=CC=C2 SPC-p401 [0,1,0,1,0,0|2,0,0]=4 150 B12R2.203 CN1N=CC2=CC=CC(Br)=C21 SPC-j436 [0,1,0,1,0,0|2,0,0]=4 151 B8R1.11 CC1=CSC=C1C=O SPC-p593 [1,0,0,0,1,0|2,0,0]=4