0 B12R1.235 COC1=C(Br)C(C=O)=CC(Br)=C1 CS-0194447 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.235 COC1=C(O)C(C=O)=CC(I)=C1 CS-0132092 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.235 COC1=C(O)C(CO)=CC(Br)=C1 CS-0118797 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.235 COC1=CC(C)=CC(OC)=C1C CS-0197009 [0,0,0,0,0,0|1,0,0]=1 4 B12R1.235 COC1=NC(C)=NC(OC)=C1Br CS-0158116 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.235 COC1=NC(Cl)=NC(OC)=C1N CS-0078577 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.8 CC1=CC(C=O)=C(O)C(Cl)=C1 CS-0238783 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.8 COC1=C(Cl)C(C)=CC(Br)=C1 CS-0727355 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.8 COC1=C(F)C(F)=CC(Cl)=C1 CS-0780350 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.8 COC1=C(F)C(I)=CC(Br)=C1 CS-0190637 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.8 COC1=C(F)C(O)=CC(Br)=C1 CS-0193017 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.8 COC1=C(N)C(Br)=CC(F)=C1 CS-0864913 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.8 COC1=C(O)C(C)=CC(Br)=C1 CS-0050999 [1,0,0,0,0,0|1,0,0]=2 13 B11R1.8 COC1=CC(=O)C=C(C)C1=O CS-0550066 [1,0,0,0,0,0|1,0,1]=3 14 B11R1.8 COC1=CC(Br)=CC(C)=C1N CS-0249781 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.8 COC1=CC(Cl)=CC(Br)=C1Br CS-0193169 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.8 COC1=CC(Cl)=CC(C)=C1I CS-0037570 [1,0,0,0,0,0|2,0,0]=3 17 B11R1.8 COC1=CC(Cl)=CC(Cl)=C1I CS-0150464 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.8 COC1=CC(F)=CC(F)=C1Br CS-0479906 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.8 O=CC1=C(O)C(O)=CC(Cl)=C1 CS-0755320 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.9 CCC1=CC(OC)=CC(=O)O1 CS-0152532 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.9 COC1=CC(C)=CC(CO)=C1 CS-0153249 [1,0,0,0,0,0|2,0,0]=3 22 B11R1.9 COC1=CC(Cl)=CC(CO)=C1 CS-0139074 [1,0,0,0,0,0|3,0,0]=4 23 B11R1.9 COC1=CC(N)=CC(OC)=C1 CS-0452218 [1,0,0,0,0,0|1,0,0]=2 24 B11R1.9 COC1=CC(OC)=NC(C)=N1 CS-0045638 [1,0,0,0,0,0|2,0,0]=3 25 B11R1.9 COC1=NC(OC)=NC(N)=C1 CS-W018020 [1,0,0,0,0,0|3,0,0]=4 26 B11R1.267 COC1=C(F)C(CN)=CC=C1 CS-0091517 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.267 COC1=C(N)C(C=O)=CC=C1 CS-0019287 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.267 COC1=CC=CC(CBr)=C1Cl CS-0663595 [1,0,0,0,0,0|3,0,0]=4 29 B11R1.267 COC1=CC=CC(CCl)=C1C CS-0765240 [1,0,0,0,0,0|3,0,0]=4 30 B11R1.267 COC1=CC=CC(CO)=C1C CS-0037680 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.267 COC1=CC=CC(NN)=C1F CS-1192562 [1,0,0,0,0,0|3,0,0]=4 32 B11R1.267 COC1=CC=CC(OC)=C1F CS-0195064 [1,0,0,0,0,0|1,0,0]=2 33 B11R1.267 COC1=CC=CC(OC)=C1S CS-0309313 [1,0,0,0,0,0|0,1,0]=2 34 B11R1.267 COC1=CN=NC(OC)=C1Cl CS-0150244 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.267 COC1=NC=CC(OC)=C1N CS-0449948 [1,0,0,0,0,0|2,0,0]=3 36 B13R1.299 COC1=C(F)C(B(O)O)=CC(C)=C1 CS-0178099 [0,1,0,0,0,0|3,0,0]=4 37 B13R1.299 COC1=CC(C)=CC(C(=O)O)=C1O CS-0452524 [0,1,0,0,0,0|2,0,0]=3 38 B13R1.299 COC1=CC(C)=CC([N+](=O)[O-])=C1Br CS-0061220 [0,1,0,0,0,0|3,0,0]=4 39 B13R1.299 COC1=CC(C)=CC([N+](=O)[O-])=C1N CS-0161387 [0,1,0,0,0,0|3,0,0]=4 40 B13R1.302 COC1=C(OC)C(C#N)=CC(Br)=C1 CS-0342470 [0,1,0,0,0,0|3,0,0]=4 41 B13R1.302 COC1=C(OC)C(CO)=CC(Cl)=C1 CS-0302191 [0,1,0,0,0,0|3,0,0]=4 42 B13R1.302 COC1=CC(Br)=CC(OC)=C1C#N CS-0530177 [0,1,0,0,0,0|2,0,0]=3 43 B13R1.424 CCC1=CC(C)=C(N)C(CC)=C1N CS-0043387 [0,1,0,0,0,0|3,0,0]=4 44 B13R1.424 CSC1=CC(C)=C(N)C(SC)=C1N CS-0504262 [0,1,0,0,0,0|1,2,0]=4 45 B13R1.433 COC1=CC(C=O)=CC(C=O)=C1O CS-0170493 [0,1,0,0,0,0|2,0,1]=4 46 B13R1.433 COC1=CC(C=O)=CC(OC)=C1F CS-0160886 [0,1,0,0,0,0|1,0,1]=3 47 B13R1.433 COC1=CC(CBr)=CC(OC)=C1Br CS-0462431 [0,1,0,0,0,0|1,0,0]=2 48 B13R1.433 COC1=CC(CN)=CC(OC)=C1O CS-0353781 [0,1,0,0,0,0|0,0,0]=1 49 B13R1.433 COC1=CC(OC)=C(Br)C(C=O)=C1 CS-0224226 [0,1,0,0,0,0|3,0,0]=4 50 B13R1.433 COC1=CC(OC)=C(C)C(OC)=C1 CS-0358017 [0,1,0,0,0,0|1,0,0]=2 51 B13R1.3982 C=CCC1=C(O)C(OC)=CC(C)=C1 CS-0235669 [0,1,0,0,0,0|1,0,1]=3 52 B10R1.2 CC1=C(O)C(CO)=CC=C1 CS-0378154 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.2 CCC1=CC=CC(C)=C1Br CS-0326728 [2,0,0,0,0,0|2,0,0]=4 54 B10R1.2 CCC1=CC=CC(C)=C1C CS-0467255 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.2 CNC1=CC=CC(C)=C1C CS-0250457 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.2 COC1=C(C)C(C)=NC=C1 CS-0469652 [2,0,0,0,0,0|2,0,0]=4 57 B10R1.2 COC1=C(C)C(N)=CC=C1 CS-B0015 [2,0,0,0,0,0|2,0,0]=4 58 B10R1.2 COC1=C(I)C(O)=CC=C1 CS-0568541 [2,0,0,0,0,0|1,0,0]=3 59 B10R1.2 COC1=CC=CC(Br)=C1N CS-0212105 [2,0,0,0,0,0|2,0,0]=4 60 B10R1.2 COC1=CC=CC(F)=C1S CS-0237357 [2,0,0,0,0,0|1,1,0]=4 61 B10R1.2 COC1=CC=CC(N)=C1N CS-0212582 [2,0,0,0,0,0|2,0,0]=4 62 B10R1.2 COC1=CC=CC(N)=C1O CS-0043726 [2,0,0,0,0,0|1,0,0]=3 63 B10R1.2 COC1=CC=CC(O)=C1N CS-0875017 [2,0,0,0,0,0|1,0,0]=3 64 B10R1.8 CC1=CC(C)=CC(NN)=C1 CS-0700534 [2,0,0,0,0,0|2,0,0]=4 65 B10R1.8 CC1=CC(C=O)=CC(O)=C1 CS-0153252 [2,0,0,0,0,0|2,0,0]=4 66 B10R1.8 CC1=CC(CO)=CC(O)=C1 CS-0196147 [2,0,0,0,0,0|2,0,0]=4 67 B10R1.8 CCC1=CC(O)=CC(O)=C1 CS-0360779 [2,0,0,0,0,0|2,0,0]=4 68 B10R1.8 CNC1=CC(C)=CC(C)=C1 CS-0250455 [2,0,0,0,0,0|1,0,0]=3 69 B10R1.8 COC1=CC(C)=CC(F)=C1 CS-W006428 [2,0,0,0,0,0|1,0,0]=3 70 B10R1.8 COC1=CC(C)=NC(C)=N1 CS-0152800 [2,0,0,0,0,0|2,0,0]=4 71 B10R1.8 COC1=CC(I)=CC(Cl)=C1 CS-0181934 [2,0,0,0,0,0|2,0,0]=4 72 B10R1.8 COC1=CC(I)=CC(O)=C1 CS-0617211 [2,0,0,0,0,0|1,0,0]=3 73 B10R1.8 COC1=NC(C)=CC(C)=N1 CS-0045781 [2,0,0,0,0,0|2,0,0]=4 74 B10R1.22 CC1=C(Br)C(O)=CC(O)=C1 CS-0079927 [2,0,0,0,0,0|2,0,0]=4 75 B10R1.22 CC1=C(C)C(O)=CC(Br)=C1 CS-1050223 [2,0,0,0,0,0|2,0,0]=4 76 B10R1.22 CC1=CC(Br)=C(F)C(O)=C1 CS-0193473 [2,0,0,0,0,0|2,0,0]=4 77 B10R1.22 CC1=CC(Br)=C(O)C(F)=C1 CS-0194953 [2,0,0,0,0,0|2,0,0]=4 78 B10R1.22 CC1=CC(Br)=C(O)C(O)=C1 CS-0758177 [2,0,0,0,0,0|1,0,0]=3 79 B10R1.22 CC1=CC(Br)=CC(C)=C1N CS-0366760 [2,0,0,0,0,0|2,0,0]=4 80 B10R1.22 CC1=CC(Br)=CC(N)=C1O CS-0153240 [2,0,0,0,0,0|2,0,0]=4 81 B10R1.22 CC1=CC(Br)=CC(O)=C1F CS-0195047 [2,0,0,0,0,0|2,0,0]=4 82 B10R1.22 CC1=CC(C)=C(C)C(C)=C1 CS-0453350 [2,0,0,0,0,0|1,0,0]=3 83 B10R1.22 CC1=CC(C)=C(Cl)C(Br)=C1 CS-0153369 [2,0,0,0,0,0|2,0,0]=4 84 B10R1.22 CC1=CC(C)=C(Cl)C(C)=C1 CS-0318454 [2,0,0,0,0,0|1,0,0]=3 85 B10R1.22 CC1=CC(C)=C(F)C(Br)=C1 CS-0191279 [2,0,0,0,0,0|2,0,0]=4 86 B10R1.22 CC1=CC(C)=C(F)C(C)=C1 CS-W016490 [2,0,0,0,0,0|1,0,0]=3 87 B10R1.22 CC1=CC(C)=C(S)C(C)=C1 CS-0196820 [2,0,0,0,0,0|0,1,0]=3 88 B10R1.22 CC1=CC(C)=NC(C)=C1Br CS-0035837 [2,0,0,0,0,0|2,0,0]=4 89 B10R1.22 CC1=CC(C)=NC(C)=C1N CS-0072054 [2,0,0,0,0,0|2,0,0]=4 90 B10R1.22 CC1=CC(C)=NC(C)=C1[IH+] CS-W013819 [2,0,0,0,0,0|2,0,0]=4 91 B10R1.22 CC1=CC(Cl)=C(O)C(C)=N1 CS-0654886 [2,0,0,0,0,0|2,0,0]=4 92 B10R1.22 CC1=CC(Cl)=C(O)C(Cl)=C1 CS-0033762 [2,0,0,0,0,0|2,0,0]=4 93 B10R1.22 CC1=CC(I)=CC(Br)=C1O CS-0448634 [2,0,0,0,0,0|2,0,0]=4 94 B10R1.22 CC1=CC(I)=CC(C)=C1C CS-0187151 [2,0,0,0,0,0|2,0,0]=4 95 B10R1.22 CC1=CC(I)=CC(C)=C1N CS-0153714 [2,0,0,0,0,0|2,0,0]=4 96 B10R1.22 CC1=CC(I)=CC(Cl)=C1O CS-0051965 [2,0,0,0,0,0|2,0,0]=4 97 B10R1.22 CC1=CC(N)=CC(Br)=C1O CS-0456226 [2,0,0,0,0,0|2,0,0]=4 98 B10R1.22 CC1=CC(N)=CC(C)=C1Cl CS-0489628 [2,0,0,0,0,0|2,0,0]=4 99 B10R1.22 CC1=CC(N)=CC(C)=C1O CS-0117193 [2,0,0,0,0,0|1,0,0]=3 100 B10R1.22 CC1=CC(O)=C(C)C(O)=C1 CS-W013326 [2,0,0,0,0,0|1,0,0]=3 101 B10R1.22 CC1=CC(O)=C(N)C(C)=C1 CS-0137942 [2,0,0,0,0,0|1,0,0]=3 102 B10R1.22 CC1=CC(O)=CC(C)=C1C CS-0365811 [2,0,0,0,0,0|2,0,0]=4 103 B10R1.22 CC1=NC(C)=C(O)C(C)=N1 CS-0455141 [2,0,0,0,0,0|2,0,0]=4 104 B10R1.22 OC1=CC(O)=C(Cl)C(O)=C1 CS-0116795 [2,0,0,0,0,0|2,0,0]=4 105 B10R1.30 CC1=CC=C(O)C(CN)=C1 CS-0353945 [2,0,0,0,0,0|2,0,0]=4 106 B10R1.30 CCC1=C(C)C=CC(C)=C1 CS-0206595 [2,0,0,0,0,0|2,0,0]=4 107 B10R1.30 CCC1=C(O)C=CC(C)=N1 CS-W002620 [2,0,0,0,0,0|2,0,0]=4 108 B10R1.30 CCC1=CC(Br)=CC=C1O CS-W015568 [2,0,0,0,0,0|2,0,0]=4 109 B10R1.30 CCC1=CC(C)=CC=C1O CS-0237326 [2,0,0,0,0,0|1,0,0]=3 110 B10R1.30 CCC1=CC(O)=CC=C1O CS-0152526 [2,0,0,0,0,0|2,0,0]=4 111 B10R1.30 CNC1=C(N)C=CC(C)=C1 CS-0535215 [2,0,0,0,0,0|2,0,0]=4 112 B10R1.30 CNC1=CC(C)=CC=C1C CS-0250454 [2,0,0,0,0,0|2,0,0]=4 113 B10R1.30 CNC1=CC(C)=CC=C1C CS-0698951 [2,0,0,0,0,0|2,0,0]=4 114 B10R1.30 COC1=C(F)C=CC(F)=C1 CS-W016399 [2,0,0,0,0,0|2,0,0]=4 115 B10R1.30 COC1=C(N)C=CC(N)=C1 CS-0197362 [2,0,0,0,0,0|2,0,0]=4 116 B10R1.30 COC1=C(N)C=CC(O)=C1 CS-0208022 [2,0,0,0,0,0|2,0,0]=4 117 B10R1.30 COC1=CC(C)=CC=C1Cl CS-0192536 [2,0,0,0,0,0|1,0,0]=3 118 B10R1.30 COC1=CC(C)=CN=C1Cl CS-0514696 [2,0,0,0,0,0|2,0,0]=4 119 B10R1.30 COC1=CC(Cl)=CC=C1F CS-0192390 [2,0,0,0,0,0|2,0,0]=4 120 B10R1.30 COC1=NC(C)=CC=C1F CS-0096877 [2,0,0,0,0,0|2,0,0]=4 121 B10R1.30 CSC1=C(C)C=CC(C)=C1 CS-0362805 [2,0,0,0,0,0|1,1,0]=4 122 B10R1.172 CCC1=CC(NC)=CC=C1 CS-0242452 [2,0,0,0,0,0|2,0,0]=4 123 B10R1.172 CCC1=CC=CC(OC)=C1 CS-0238534 [2,0,0,0,0,0|1,0,0]=3 124 B10R1.172 CNC1=CC(SC)=CC=C1 CS-0216891 [2,0,0,0,0,0|1,1,0]=4 125 B10R1.172 CNC1=CC=CC(NC)=C1 CS-W000661 [2,0,0,0,0,0|2,0,0]=4 126 B10R1.172 CNC1=CC=CC(OC)=C1 CS-0517043 [2,0,0,0,0,0|1,0,0]=3 127 B10R1.172 CNC1=NC=CC(OC)=C1 CS-0686453 [2,0,0,0,0,0|2,0,0]=4 128 B10R1.172 COC1=CC(OC)=NN=C1 CS-0212811 [2,0,0,0,0,0|2,0,0]=4 129 B12R1.234 COC1=C(C#N)C(N)=CC(C)=C1 CS-0620172 [1,1,0,0,0,0|2,0,0]=4 130 B12R1.234 COC1=CC(Cl)=CC(F)=C1CO CS-0187880 [1,1,0,0,0,0|2,0,0]=4 131 B12R1.300 COC1=C(O)C(I)=CC(C#N)=C1 CS-0240344 [1,1,0,0,0,0|1,0,1]=4 132 B12R1.300 COC1=C(O)C(I)=CC(CO)=C1 CS-0256989 [1,1,0,0,0,0|1,0,0]=3 133 B12R1.300 COC1=CC(CN)=CC(Br)=C1O CS-0947596 [1,1,0,0,0,0|1,0,0]=3 134 B12R1.300 COC1=CC(OC)=C(Br)C(F)=C1 CS-0120726 [1,1,0,0,0,0|2,0,0]=4 135 B12R1.300 COC1=CC(OC)=C(Cl)C(O)=C1 CS-0039353 [1,1,0,0,0,0|1,0,0]=3 136 B12R1.511 CC1=CC(C)=C(O)C(C(=O)O)=C1 CS-0258886 [1,1,0,0,0,0|2,0,0]=4 137 B12R1.11 COC1=CC(C(C)=O)=CC(Br)=C1 CS-0329717 [1,1,0,0,0,0|2,0,0]=4 138 B12R1.11 COC1=CC(C(C)=O)=CC(F)=C1 CS-0324147 [1,1,0,0,0,0|2,0,0]=4 139 B12R1.11 COC1=CC(C)=CC(B(O)O)=C1 CS-0175812 [1,1,0,0,0,0|2,0,0]=4 140 B12R1.58 C=CC1=CC(OC)=CC(OC)=C1 CS-0239403 [1,1,0,0,0,0|0,0,1]=3 141 B12R1.58 COC1=CC(CO)=CC(CO)=C1 CS-0248334 [1,1,0,0,0,0|2,0,0]=4 142 B12R1.280 COC1=C(O)C(\C=N\O)=CC=C1 CS-0197014 [1,1,0,0,0,0|2,0,0]=4 143 B12R1.440 COC1=C(F)C(C(C)=O)=CC=C1 CS-0518739 [1,1,0,0,0,0|2,0,0]=4 144 B12R1.654 COC1=C(F)C(OC)=C(Br)C=C1 CS-0195051 [1,1,0,0,0,0|1,0,0]=3 145 B12R1.654 COC1=C(F)C(SC)=C(Br)C=C1 CS-0191350 [1,1,0,0,0,0|1,1,0]=4 146 B12R1.1879 CNC1=CC=CC(OC)=C1C#N CS-M2908 [1,1,0,0,0,0|2,0,0]=4 147 B12R1.1879 COC1=C(CO)C(SC)=CC=C1 CS-0196196 [1,1,0,0,0,0|0,1,0]=3 148 B12R1.1879 COC1=CC=CC(SC)=C1C=O CS-0196328 [1,1,0,0,0,0|0,1,1]=4 149 B14R1.351 COC1=CC(Cl)=CC(C(C)=O)=C1OC CS-0171634 [0,2,0,0,0,0|2,0,0]=4 150 B14R1.347 CCC1=CC(C)=CC(CC)=C1B(O)O CS-0163245 [0,2,0,0,0,0|2,0,0]=4 151 B14R1.347 COC1=CC(C)=CC(OC)=C1B(O)O CS-0175795 [0,2,0,0,0,0|0,0,0]=2 152 B14R1.347 COC1=CC(F)=CC(OC)=C1[N+](=O)[O-] CS-0526905 [0,2,0,0,0,0|1,0,1]=4 153 B14R1.576 COC1=CC(OC)=C(C#N)C(OC)=C1 CS-0450254 [0,2,0,0,0,0|1,0,0]=3 154 B14R1.576 COC1=CC(OC)=C(CN)C(OC)=C1 CS-0523250 [0,2,0,0,0,0|1,0,0]=3 155 B14R1.362 COC1=CC(C(=O)O)=CC(OC)=C1N CS-0456462 [0,2,0,0,0,0|1,0,1]=4 156 B14R1.3236 C=CCC1=CC(C=O)=C(O)C(OC)=C1 CS-0464850 [0,2,0,0,0,0|2,0,0]=4 157 B14R1.3236 C=CCC1=CC(OC)=C(O)C(OC)=C1 CS-0158007 [0,2,0,0,0,0|0,0,0]=2 158 B12R2.246 FC1=C2OCOC2=CC(Br)=C1 CS-0260217 [1,0,0,1,0,0|2,0,0]=4 159 B12R2.315 COC1=C2N=COC2=CC=C1 CS-0160865 [1,0,0,1,0,0|1,0,1]=4 160 B12R2.315 COC1=CC=CC2=C1CCN2 CS-0070431 [1,0,0,1,0,0|2,0,0]=4 161 B12R2.315 COC1=CC=CC2=C1NCC2 CS-0150290 [1,0,0,1,0,0|2,0,0]=4 162 B12R2.315 COC1=CC=CC2=C1OCO2 CS-0309214 [1,0,0,1,0,0|0,0,0]=2 163 B12R1.450 CCC1=CC(O)=C(OC)C=C1C CS-0677972 [0,0,0,0,1,1|1,0,0]=3 164 B12R1.450 COC1=CC(Br)=C(OC)C=C1N CS-0248340 [0,0,0,0,1,1|2,0,0]=4 165 B12R1.450 COC1=CC(Br)=C(OC)C=C1O CS-0130608 [0,0,0,0,1,1|1,0,0]=3 166 B12R1.450 COC1=CC(C)=C(OC)C=C1I CS-0190648 [0,0,0,0,1,1|1,0,0]=3 167 B12R1.450 COC1=CC(N)=C(OC)C=C1N CS-0609668 [0,0,0,0,1,1|2,0,0]=4