0 B10R1.20 COC1=C(C=O)C=CC=N1 SPC-g793 [0,0,0,0,0,0|1,0,0]=1 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|1,0,2]=3 4 B9R1.15 C#CC1=C(N)C=CC=C1 SPC-m355 [1,0,0,0,0,0|2,0,1]=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|1,0,0]=2 7 B9R1.15 CC1=C(C=O)C=NC=C1 SPC-n153 [1,0,0,0,0,0|1,0,0]=2 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|1,0,2]=4 12 B9R1.15 CC1=C(CO)C=NC=C1 SPC-r211 [1,0,0,0,0,0|1,0,2]=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|2,0,0]=3 20 B9R1.15 NC1=C(C=O)C=CN=C1 SPC-h393 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.15 NC1=C(C=O)C=NC=C1 SPC-n111 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.15 NC1=NC=CN=C1C=O SPC-j177 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.15 O=C1NC=CC=C1CO SPC-n030 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.15 O=CC1=C(Br)C=CN=C1 SPC-r187 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.15 O=CC1=C(Cl)C=CN=C1 SPC-j931 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.15 O=CC1=C(F)C=NC=C1 SPC-g824 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.15 O=CC1=C(I)C=CC=C1 SPC-g445 [1,0,0,0,0,0|1,0,0]=2 28 B9R1.15 O=CC1=CC=CN=C1Cl SPC-g097 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.15 O=CC1=NC=CC=C1O SPC-m154 [1,0,0,0,0,0|1,0,0]=2 30 B11R1.37 CNC1=C(C=O)C=NC(Cl)=N1 SPC-k183 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.37 COC1=NC=C(Br)C=C1C=O SPC-j666 [0,1,0,0,0,0|1,0,0]=2 32 B11R1.37 COC1=NC=C(Br)C=C1CO SPC-j667 [0,1,0,0,0,0|1,0,2]=4 33 B11R1.37 COC1=NC=C(F)C=C1CO SPC-v142 [0,1,0,0,0,0|1,0,2]=4 34 B11R1.53 CC(C)C1=C(CBr)C=CC=C1 SPC-m453 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.53 COC1=C(C(C)=O)C=NC=C1 SPC-s730 [0,1,0,0,0,0|1,0,0]=2 36 B11R1.53 N#CC1=C(C(=O)O)C=NC=C1 SPC-k707 [0,1,0,0,0,0|3,0,0]=4 37 B11R1.53 O=CC1=C(C(=O)O)C=NC=C1 SPC-v607 [0,1,0,0,0,0|3,0,0]=4 38 B11R1.53 O=CC1=C([N+](=O)[O-])C=CC=N1 SPC-r171 [0,1,0,0,0,0|3,0,0]=4 39 B11R2.1 BrC1=NNC2=C1C=CC=C2 SPC-g767 [0,0,0,1,0,0|3,0,0]=4 40 B11R2.1 CC1=CNC2=C1C=CC=C2 SPC-g422 [0,0,0,1,0,0|2,0,1]=4 41 B11R2.1 CC1=NNC2=C1C=CC=C2 SPC-m579 [0,0,0,1,0,0|3,0,0]=4 42 B11R2.1 CN1C=CC2=C1C=NC=C2 SPC-u713 [0,0,0,1,0,0|3,0,0]=4 43 B11R2.1 ClC1=CNC2=C1C=CC=C2 SPC-n094 [0,0,0,1,0,0|2,0,1]=4 44 B11R2.1 IC1=NNC2=C1C=CC=C2 SPC-g726 [0,0,0,1,0,0|3,0,0]=4 45 B11R2.1 NC1=NOC2=C1N=CC=C2 SPC-u414 [0,0,0,1,0,0|3,0,0]=4 46 B11R2.1 O=C1CCC2=C1C=CC=N2 SPC-n233 [0,0,0,1,0,0|2,0,0]=3 47 B11R2.1 O=C1CCC2=C1C=CN=C2 SPC-q607 [0,0,0,1,0,0|2,0,0]=3 48 B11R2.1 O=C1NCC2=C1C=CC=C2 SPC-m482 [0,0,0,1,0,0|2,0,0]=3 49 B11R2.1 O=C1NCC2=C1C=NC=C2 SPC-h610 [0,0,0,1,0,0|3,0,0]=4 50 B11R2.20 C1=CC2=C(C=C1)CNCC2 SPC-t693 [0,0,0,1,0,0|2,0,1]=4 51 B11R2.20 C1=CC=C2N=CN=CC2=C1 SPC-k265 [0,0,0,1,0,0|2,0,1]=4 52 B9R1.14 COC1=C(C=O)C=CS1 SPC-n025 [0,0,0,0,1,0|1,0,0]=2 53 B8R1.2 O=CC1=CN=CC=C1 SPC-g255 [2,0,0,0,0,0|1,0,0]=3 54 B8R1.2 O=CC1=CN=CN=C1 SPC-j129 [2,0,0,0,0,0|2,0,0]=4 55 B8R1.2 O=CC1=CN=NC=C1 SPC-n491 [2,0,0,0,0,0|2,0,0]=4 56 B8R1.2 O=CC1=NC=CC=N1 SPC-j098 [2,0,0,0,0,0|2,0,0]=4 57 B8R1.2 O=CC1=NC=CN=C1 SPC-j095 [2,0,0,0,0,0|2,0,0]=4 58 B8R1.5 CC1=C(Br)C=CC=N1 SPC-s912 [2,0,0,0,0,0|2,0,0]=4 59 B8R1.5 CC1=C(Br)C=CN=C1 SPC-g505 [2,0,0,0,0,0|2,0,0]=4 60 B8R1.5 CC1=C(N)C=NC=C1 SPC-t017 [2,0,0,0,0,0|2,0,0]=4 61 B8R1.5 CC1=C(O)C=CC=N1 SPC-g264 [2,0,0,0,0,0|1,0,1]=4 62 B8R1.5 CC1=CC=CN=C1Br SPC-g509 [2,0,0,0,0,0|2,0,0]=4 63 B8R1.5 CC1=CC=CN=C1Cl SPC-k262 [2,0,0,0,0,0|2,0,0]=4 64 B8R1.5 CC1=CC=NNC1=O SPC-m081 [2,0,0,0,0,0|2,0,0]=4 65 B8R1.5 NC1=CC=CN=C1O SPC-k107 [2,0,0,0,0,0|2,0,0]=4 66 B8R1.5 O=C1C=COC=C1O SPC-n061 [2,0,0,0,0,0|1,0,0]=3 67 B8R1.5 OC1=CC=CN=C1Br SPC-p191 [2,0,0,0,0,0|2,0,0]=4 68 B8R1.5 OC1=CC=CN=C1F SPC-r423 [2,0,0,0,0,0|2,0,0]=4 69 B10R1.2 COC1=C(Br)C(N)=CC=N1 SPC-k829 [1,1,0,0,0,0|2,0,0]=4 70 B10R1.2 COC1=C(Cl)C(N)=CC=C1 SPC-p195 [1,1,0,0,0,0|1,0,0]=3 71 B10R1.2 COC1=C(I)C(N)=CC=N1 SPC-p390 [1,1,0,0,0,0|2,0,0]=4 72 B10R1.2 COC1=CC=CC(Br)=C1O SPC-k449 [1,1,0,0,0,0|0,0,1]=3 73 B10R1.2 O=CC1=C(Cl)C(Cl)=NC=C1 SPC-u112 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.2 O=CC1=CC=CC(Br)=C1F SPC-t759 [1,1,0,0,0,0|1,0,0]=3 75 B10R1.2 O=CC1=CN=CC(Cl)=C1Cl SPC-p455 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.25 CCN1C=CC(Br)=CC1=O SPC-s322 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.25 CCN1C=CC(N)=CC1=O SPC-k155 [1,1,0,0,0,0|2,0,0]=4 78 B10R1.25 COC1=C(Cl)C=C(N)N=C1 SPC-t002 [1,1,0,0,0,0|2,0,0]=4 79 B10R1.25 COC1=C(F)C=C(Br)C=C1 SPC-g047 [1,1,0,0,0,0|1,0,0]=3 80 B10R1.25 COC1=NC=C(Br)C=C1N SPC-g377 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.25 COC1=NC=C(Br)C=C1O SPC-r179 [1,1,0,0,0,0|1,0,1]=4 82 B10R1.25 NC1=C(C=O)C=CC(Br)=C1 SPC-u337 [1,1,0,0,0,0|1,0,0]=3 83 B10R1.25 NC1=CC(Br)=CN=C1C=O SPC-r224 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.25 O=CC1=C(Br)C=C(Cl)C=C1 SPC-g540 [1,1,0,0,0,0|1,0,0]=3 85 B10R1.25 O=CC1=C(F)C=C(Br)C=C1 SPC-g415 [1,1,0,0,0,0|1,0,0]=3 86 B10R1.25 O=CC1=CC=C(Br)N=C1Br SPC-j482 [1,1,0,0,0,0|2,0,0]=4 87 B10R1.25 O=CC1=CC=C(Cl)N=C1Cl SPC-j232 [1,1,0,0,0,0|2,0,0]=4 88 B10R1.25 O=CC1=CN=C(Cl)C=C1Cl SPC-j753 [1,1,0,0,0,0|2,0,0]=4 89 B10R1.25 O=CC1=NC=C(Br)C=C1F SPC-r172 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.30 CC1=NC(C=O)=C(F)C=C1 SPC-r230 [1,1,0,0,0,0|2,0,0]=4 91 B10R1.30 NC1=C(C=O)C=C(Br)C=C1 SPC-r401 [1,1,0,0,0,0|1,0,0]=3 92 B10R1.30 O=CC1=C(Br)C=CC(F)=C1 SPC-v716 [1,1,0,0,0,0|1,0,0]=3 93 B10R1.30 O=CC1=C(F)C=CC(Br)=N1 SPC-r176 [1,1,0,0,0,0|2,0,0]=4 94 B10R1.30 O=CC1=CC(Br)=CN=C1Cl SPC-j645 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.30 O=CC1=CC(Br)=CN=C1F SPC-j351 [1,1,0,0,0,0|2,0,0]=4 96 B10R1.30 O=CC1=CC(Br)=NC=C1F SPC-s839 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.61 CC(=O)C1=C(Br)C=NC=C1 SPC-n890 [1,1,0,0,0,0|2,0,0]=4 98 B10R1.61 CC(=O)C1=C(Cl)C=CC=N1 SPC-n891 [1,1,0,0,0,0|2,0,0]=4 99 B10R1.61 CC(=O)C1=C(F)C=CC=N1 SPC-j546 [1,1,0,0,0,0|2,0,0]=4 100 B10R1.61 CC(=O)C1=C(N)N=CC=C1 SPC-r191 [1,1,0,0,0,0|2,0,0]=4 101 B10R1.61 CC(=O)C1=CC=CN=C1Cl SPC-j606 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.61 CC1=C(C(=O)O)C=NC=C1 SPC-g617 [1,1,0,0,0,0|1,0,0]=3 103 B10R1.61 CC1=C(C(=O)O)C=NN=C1 SPC-j591 [1,1,0,0,0,0|2,0,0]=4 104 B10R1.61 CC1=C([N+](=O)[O-])C=CC=N1 SPC-g293 [1,1,0,0,0,0|2,0,0]=4 105 B10R1.61 CC1=C([N+](=O)[O-])C=CN=C1 SPC-n074 [1,1,0,0,0,0|2,0,0]=4 106 B10R1.61 CC1=CC=CN=C1[N+](=O)[O-] SPC-p404 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.61 CC1=CN=CN=C1C(=O)O SPC-t697 [1,1,0,0,0,0|2,0,0]=4 108 B10R1.61 CC1=NC=CN=C1C(=O)O SPC-j734 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.61 NC(=O)C1=C(N)C=CN=C1 SPC-p487 [1,1,0,0,0,0|2,0,0]=4 110 B10R1.61 NC(=O)C1=C(N)C=CN=C1 SPC-s982 [1,1,0,0,0,0|2,0,0]=4 111 B10R1.61 NC1=C(C(=O)O)C=NC=C1 SPC-g169 [1,1,0,0,0,0|2,0,0]=4 112 B10R1.61 NC1=CC=CN=C1C(=O)O SPC-g425 [1,1,0,0,0,0|2,0,0]=4 113 B10R1.61 O=C(O)C1=C(Br)C=NC=C1 SPC-g116 [1,1,0,0,0,0|2,0,0]=4 114 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 SPC-t006 [1,1,0,0,0,0|2,0,0]=4 115 B10R1.61 O=C(O)C1=C(F)C=CC=N1 SPC-g454 [1,1,0,0,0,0|2,0,0]=4 116 B10R1.61 O=C(O)C1=C(F)C=NC=C1 SPC-g759 [1,1,0,0,0,0|2,0,0]=4 117 B10R1.61 O=C(O)C1=CC=CN=C1Br SPC-m969 [1,1,0,0,0,0|2,0,0]=4 118 B10R1.61 O=C(O)C1=NC=CC=C1O SPC-k065 [1,1,0,0,0,0|1,0,0]=3 119 B10R1.61 O=C(O)C1=NC=CN=C1O SPC-g411 [1,1,0,0,0,0|2,0,0]=4 120 B10R1.61 O=[N+]([O-])C1=C(O)C=CN=C1 SPC-g014 [1,1,0,0,0,0|2,0,0]=4 121 B10R1.61 O=[N+]([O-])C1=C(O)N=CC=C1 SPC-g020 [1,1,0,0,0,0|2,0,0]=4 122 B10R1.61 O=[N+]([O-])C1=NC=CC=C1O SPC-k291 [1,1,0,0,0,0|2,0,0]=4 123 B10R1.245 C=CC1=C(Br)C=CN=C1O SPC-r198 [1,1,0,0,0,0|2,0,0]=4 124 B10R1.245 C=CC1=C(Cl)C=CN=C1O SPC-r196 [1,1,0,0,0,0|2,0,0]=4 125 B10R1.245 C=CC1=C(F)C=CN=C1O SPC-r197 [1,1,0,0,0,0|2,0,0]=4 126 B10R1.245 C=CC1=C(I)C=CN=C1O SPC-q525 [1,1,0,0,0,0|2,0,0]=4 127 B10R1.245 CC1=CC=CC(C)=C1CBr SPC-t676 [1,1,0,0,0,0|1,0,1]=4 128 B10R1.245 COC1=C(C)NC=CC1=O SPC-n071 [1,1,0,0,0,0|1,0,0]=3 129 B10R1.245 COC1=C(Cl)C=CN=C1C SPC-m314 [1,1,0,0,0,0|1,0,1]=4 130 B10R1.245 N#CC1=C(Cl)C=CC=C1O SPC-k123 [1,1,0,0,0,0|1,0,1]=4 131 B10R1.245 NC1=CC=CC(Br)=C1C=O SPC-j818 [1,1,0,0,0,0|1,0,0]=3 132 B10R1.245 O=CC1=C(Br)C=NC=C1Br SPC-t657 [1,1,0,0,0,0|2,0,0]=4 133 B10R1.245 O=CC1=C(Cl)C=CC=C1O SPC-p206 [1,1,0,0,0,0|0,0,0]=2 134 B10R1.245 O=CC1=C(Cl)C=CN=C1Br SPC-r209 [1,1,0,0,0,0|2,0,0]=4 135 B12R1.46 COC1=CN=C(C)N=C1C(=O)O SPC-m281 [0,2,0,0,0,0|2,0,0]=4 136 B12R1.57 CNC1=C([N+](=O)[O-])C=CC(Br)=C1 SPC-k178 [0,2,0,0,0,0|2,0,0]=4 137 B12R1.57 COC1=CC(Cl)=CN=C1C(=O)O SPC-k091 [0,2,0,0,0,0|1,0,0]=3 138 B12R1.57 O=CC1=C(C(=O)O)C=CC(Br)=C1 SPC-t990 [0,2,0,0,0,0|2,0,0]=4 139 B12R1.75 COC1=CC=CN=C1CC(=O)[O-] SPC-q247 [0,2,0,0,0,0|1,0,0]=3 140 B12R1.75 NCC1=C(OC(F)F)C=CC=C1 SPC-s752 [0,2,0,0,0,0|1,0,1]=4 141 B12R1.87 COC1=C([N+](=O)[O-])C=CN=C1Cl SPC-p194 [0,2,0,0,0,0|2,0,0]=4 142 B12R1.437 N#CC1=CC=CC(F)=C1C(=O)O SPC-k096 [0,2,0,0,0,0|2,0,0]=4 143 B10R1.176 COC1=CC(I)=C(N)C=C1 SPC-r017 [0,0,1,1,0,0|2,0,0]=4 144 B10R2.7 C1=CC2=C(C=C1)CNC2 SPC-t877 [1,0,0,1,0,0|1,0,1]=4 145 B10R2.7 C1=CC2=C(C=C1)NN=C2 SPC-m915 [1,0,0,1,0,0|2,0,0]=4 146 B10R2.7 C1=CC2=C(C=CO2)N=C1 SPC-q050 [1,0,0,1,0,0|1,0,1]=4 147 B12R2.24 O=C1C=C2C=CC=CC2=CN1 SPC-m478 [0,1,0,1,0,0|2,0,0]=4 148 B12R2.24 O=C1CCC2=C(C=CN=C2)N1 SPC-n926 [0,1,0,1,0,0|2,0,0]=4 149 B12R2.24 O=C1CCC2=CC=CN=C2N1 SPC-m477 [0,1,0,1,0,0|2,0,0]=4 150 B12R2.132 CN1N=CC2=C1C=C(Br)C=C2 SPC-g568 [0,1,0,1,0,0|2,0,0]=4 151 B12R2.132 CN1N=CC2=C1C=C(N)C=C2 SPC-g924 [0,1,0,1,0,0|2,0,0]=4 152 B12R2.132 NC1=CC2=C(C=C1)CNC2=O SPC-h313 [0,1,0,1,0,0|2,0,0]=4 153 B12R2.132 O=C1CCC2=C1C=C(Br)C=C2 SPC-g292 [0,1,0,1,0,0|1,0,0]=3 154 B12R2.132 O=C1CCC2=C1C=C(Cl)C=C2 SPC-g641 [0,1,0,1,0,0|1,0,0]=3 155 B12R2.132 O=C1NCC2=C1C=C(Br)C=C2 SPC-p765 [0,1,0,1,0,0|2,0,0]=4 156 B12R2.132 O=C1NCC2=C1C=C(F)C=C2 SPC-s397 [0,1,0,1,0,0|2,0,0]=4 157 B12R2.132 O=C1OCC2=C1C=C(I)C=C2 SPC-p810 [0,1,0,1,0,0|2,0,0]=4 158 B12R2.612 CN1N=CC2=C1C=CC(Br)=C2 SPC-g666 [0,1,0,1,0,0|2,0,0]=4 159 B12R2.612 CN1N=CC2=C1C=CC(N)=C2 SPC-j457 [0,1,0,1,0,0|2,0,0]=4 160 B12R2.612 NC1=CC2=C(C=C1)C(=O)NC2 SPC-h457 [0,1,0,1,0,0|2,0,0]=4 161 B12R2.612 O=C1COC2=C1C=CC(Br)=C2 SPC-u370 [0,1,0,1,0,0|0,0,0]=2 162 B12R2.612 O=C1NCC2=C1C=CC(Br)=C2 SPC-q927 [0,1,0,1,0,0|2,0,0]=4 163 B12R2.612 O=C1OCC2=C1C=CC(Br)=C2 SPC-q956 [0,1,0,1,0,0|2,0,0]=4 164 B12R2.18 CN1C(=O)CC2=C1C=NC=C2 SPC-v372 [0,1,0,1,0,0|2,0,0]=4 165 B12R2.18 CN1C(=O)CC2=C1N=CC=C2 SPC-k509 [0,1,0,1,0,0|2,0,0]=4 166 B12R2.18 CN1N=C2C=CC=CC2=C1Br SPC-t616 [0,1,0,1,0,0|2,0,0]=4 167 B12R2.18 C[C@@H]1C(=O)NC2=C1C=CC=N2 SPC-h517 [0,1,0,1,0,0|2,0,0]=4 168 B12R2.315 COC1=C2C=CNC2=NC=C1 SPC-h088 [0,1,0,1,0,0|2,0,0]=4 169 B12R2.315 COC1=C2NC=CC2=NC=C1 SPC-q665 [0,1,0,1,0,0|2,0,0]=4 170 B12R2.315 COC1=NC=CC2=C1C=CN2 SPC-p581 [0,1,0,1,0,0|2,0,0]=4 171 B12R2.315 COC1=NC=CC2=C1NC=C2 SPC-m535 [0,1,0,1,0,0|2,0,0]=4 172 B12R2.315 O=CC1=C2N=CNC2=CC=C1 SPC-k127 [0,1,0,1,0,0|1,0,1]=4 173 B12R2.315 O=CC1=CC=CC2=CNN=C12 SPC-p004 [0,1,0,1,0,0|1,0,1]=4 174 B12R2.1081 NC1=CC=CC2=C1OCCO2 SPC-m593 [0,1,0,1,0,0|2,0,0]=4 175 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 SPC-j355 [0,1,0,1,0,0|1,0,1]=4 176 B12R2.1081 O=C1CCCC2=C1C=CC=N2 SPC-h229 [0,1,0,1,0,0|2,0,0]=4 177 B12R2.1081 O=C1COCC2=C1C=CC=C2 SPC-j356 [0,1,0,1,0,0|0,0,0]=2 178 B12R2.1081 O=C1NCCC2=C1C=CC=C2 SPC-s102 [0,1,0,1,0,0|1,0,0]=3 179 B12R2.2048 COC1=C([C@@H]2CO2)C=CC=C1 SPC-u733 [0,1,0,1,0,0|0,0,2]=4 180 B12R2.2048 COC1=C([C@H]2CO2)C=CC=C1 SPC-s661 [0,1,0,1,0,0|0,0,2]=4 181 B12R2.2028 CN1N=C(I)C2=C1C=CC=C2 SPC-n062 [0,1,0,1,0,0|2,0,0]=4 182 B12R2.196 CN1N=CC2=C(Br)C=CC=C21 SPC-h207 [0,1,0,1,0,0|2,0,0]=4 183 B12R2.196 CN1N=CC2=C(I)C=CC=C21 SPC-t013 [0,1,0,1,0,0|2,0,0]=4 184 B12R2.196 NC1=CC=CC2=C1CNC2=O SPC-h606 [0,1,0,1,0,0|2,0,0]=4 185 B12R2.196 O=C1CCC2=C(Br)C=CC=C12 SPC-g231 [0,1,0,1,0,0|1,0,0]=3 186 B12R2.196 O=C1CCC2=C(Cl)C=CC=C12 SPC-g553 [0,1,0,1,0,0|1,0,0]=3 187 B12R2.196 O=C1COC2=C(Br)C=CC=C12 SPC-s411 [0,1,0,1,0,0|0,0,0]=2 188 B12R2.203 CN1N=CC2=CC=CC(Br)=C21 SPC-j436 [0,1,0,1,0,0|2,0,0]=4 189 B12R2.203 NC1=C2C(=O)NCC2=CC=C1 SPC-m084 [0,1,0,1,0,0|2,0,0]=4 190 B8R1.11 CC1=CSC=C1C=O SPC-p593 [1,0,0,0,1,0|1,0,0]=3 191 B8R1.11 CC1=NNC=C1C=O SPC-t795 [1,0,0,0,1,0|2,0,0]=4 192 B8R1.11 CN1N=CC=C1C=O SPC-r412 [1,0,0,0,1,0|2,0,0]=4