0 B10R1.172 C#CC1=CC(C=O)=CC=C1 CS-0028345 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.172 COC1=CC=CC(C#N)=C1 CS-M0746 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.172 COC1=CC=CC(CBr)=N1 CS-W006716 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.172 COC1=CC=NC(C=O)=C1 CS-W004971 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.172 COC1=CC=NC(CN)=C1 CS-W005644 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.2 C#CC1=CC(N)=CC=C1 CS-W006161 [1,0,0,0,0,0|2,0,1]=4 6 B9R1.2 C=CC1=CC(Br)=CC=C1 CS-W015997 [1,0,0,0,0,0|2,0,1]=4 7 B9R1.2 C=CC1=CC(Cl)=CC=C1 CS-W011046 [1,0,0,0,0,0|2,0,1]=4 8 B9R1.2 C=CC1=CC(N)=CC=C1 CS-W011211 [1,0,0,0,0,0|2,0,1]=4 9 B9R1.2 CC1=CC(C=O)=NC=C1 CS-W008908 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.2 CC1=CC(CN)=CC=C1 CS-W004682 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.2 CC1=CC(CN)=NC=C1 CS-0084608 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.2 CC1=CC(CO)=CC=N1 CS-W011186 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.2 CC1=CC(NN)=CC=C1 CS-W016191 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.2 CC1=CC=CC(CN)=N1 CS-0100448 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.2 CC1=CN=CC(C=O)=C1 CS-W019763 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.2 CC1=NC(C=O)=CC=C1 CS-W007849 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.2 CC1=NC(CBr)=CC=C1 CS-W008251 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.2 CCC1=CC(N)=CC=C1 CS-W011198 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.2 CNC1=CC=CC(Br)=C1 CS-M2372 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.2 CNC1=CC=CC(I)=C1 CS-0108519 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.2 COC1=CC(Cl)=NC=N1 CS-D1580 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.2 COC1=CN=CC(N)=N1 CS-W013517 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.2 COC1=NC=CC(I)=C1 CS-0005494 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.2 N#CC1=CC(O)=NC=C1 CS-W005865 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.2 N#CC1=CC=CC(O)=C1 CS-D1474 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.2 NNC1=CC=CC(Br)=C1 CS-W007915 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.2 O=CC1=CC(F)=CC=C1 CS-W013534 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.2 O=CC1=CC=CC(Cl)=C1 CS-W019946 [1,0,0,0,0,0|3,0,0]=4 29 B11R1.9 COC1=CC(Br)=CC(C=O)=C1 CS-0030480 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.9 COC1=CC(Br)=NC(OC)=N1 CS-W019445 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.9 COC1=CC(C#N)=CC(Br)=C1 CS-W021871 [0,1,0,0,0,0|2,0,0]=3 32 B11R1.266 CCC1=CC(B(O)O)=CC=C1 CS-W005541 [0,1,0,0,0,0|3,0,0]=4 33 B11R1.266 CSC1=CC=CC(C(=O)O)=C1 CS-W010791 [0,1,0,0,0,0|2,1,0]=4 34 B11R1.267 CCC1=CC=CC(CC)=C1N CS-W018171 [0,1,0,0,0,0|2,0,0]=3 35 B11R1.267 COC1=C(O)C(C=O)=CC=C1 CS-W008876 [0,1,0,0,0,0|2,0,0]=3 36 B11R1.267 COC1=CC=CC(OC)=C1Br CS-W008252 [0,1,0,0,0,0|0,0,0]=1 37 B11R1.280 COC1=C(F)C=CC(C#N)=C1 CS-W016317 [0,1,0,0,0,0|2,0,0]=3 38 B11R1.280 COC1=C(O)C=CC(CN)=C1 CS-W015927 [0,1,0,0,0,0|2,0,0]=3 39 B11R1.280 COC1=CC=C(Br)C(OC)=N1 CS-0097765 [0,1,0,0,0,0|1,0,0]=2 40 B9R1.14 COC1=CSC=C1OC CS-W008823 [0,0,0,0,1,0|1,0,0]=2 41 B8R1.2 CNC1=CN=CC=C1 CS-W005202 [2,0,0,0,0,0|2,0,0]=4 42 B8R1.2 COC1=CN=CC=C1 CS-W008119 [2,0,0,0,0,0|1,0,0]=3 43 B8R1.2 COC1=CN=CC=N1 CS-W011278 [2,0,0,0,0,0|2,0,0]=4 44 B8R1.2 ICC1=CC=CC=C1 CS-W005987 [2,0,0,0,0,0|2,0,0]=4 45 B8R1.2 NNC1=CC=CC=C1 CS-W014355 [2,0,0,0,0,0|2,0,0]=4 46 B8R1.2 NOC1=CC=CC=C1 CS-0022011 [2,0,0,0,0,0|1,0,0]=3 47 B8R1.4 CC1=CC(Br)=CC=N1 CS-W007447 [2,0,0,0,0,0|2,0,0]=4 48 B8R1.4 CC1=CC(Cl)=CC=N1 CS-W007979 [2,0,0,0,0,0|2,0,0]=4 49 B8R1.4 CC1=CC(O)=CN=C1 CS-W011284 [2,0,0,0,0,0|1,0,0]=3 50 B8R1.4 CC1=CC=CC(N)=N1 CS-W018543 [2,0,0,0,0,0|2,0,0]=4 51 B8R1.4 CC1=CN=CC(C)=N1 CS-W021530 [2,0,0,0,0,0|2,0,0]=4 52 B8R1.4 CC1=NC(O)=NC=C1 CS-W009531 [2,0,0,0,0,0|2,0,0]=4 53 B8R1.4 CC1=NC=CC(N)=C1 CS-D0974 [2,0,0,0,0,0|2,0,0]=4 54 B8R1.4 CC1=NC=CC(O)=C1 CS-W018581 [2,0,0,0,0,0|1,0,0]=3 55 B8R1.4 ClC1=CC(I)=CC=C1 CS-W007365 [2,0,0,0,0,0|2,0,0]=4 56 B8R1.4 ClC1=CC=CC(Br)=C1 CS-W010720 [2,0,0,0,0,0|2,0,0]=4 57 B8R1.4 NC1=CN=CC(O)=C1 CS-W005261 [2,0,0,0,0,0|2,0,0]=4 58 B8R1.4 OC1=CC(O)=NC=C1 CS-0040919 [2,0,0,0,0,0|1,0,0]=3 59 B8R1.4 OC1=CC(O)=NC=N1 CS-W016618 [2,0,0,0,0,0|2,0,0]=4 60 B8R1.4 OC1=CC=CC(F)=C1 CS-W020028 [2,0,0,0,0,0|1,0,0]=3 61 B8R1.4 OC1=CN=CC(Cl)=C1 CS-W011114 [2,0,0,0,0,0|2,0,0]=4 62 B8R1.4 OC1=NC=CC(Br)=C1 CS-D0777 [2,0,0,0,0,0|2,0,0]=4 63 B10R1.2 COC1=C(Cl)C(N)=CC=C1 CS-B0018 [1,1,0,0,0,0|1,0,0]=3 64 B10R1.2 COC1=C(F)C(Cl)=CC=C1 CS-W021315 [1,1,0,0,0,0|1,0,0]=3 65 B10R1.2 COC1=C(F)C(F)=CC=C1 CS-W002796 [1,1,0,0,0,0|1,0,0]=3 66 B10R1.2 COC1=CC=CC(C)=C1C CS-M2533 [1,1,0,0,0,0|0,0,0]=2 67 B10R1.2 COC1=CC=CC(Cl)=C1N CS-W019133 [1,1,0,0,0,0|1,0,0]=3 68 B10R1.8 CC1=CC(C)=CC(NN)=C1 CS-W010766 [1,1,0,0,0,0|2,0,0]=4 69 B10R1.8 CCC1=CC(Br)=CC(N)=C1 CS-W021866 [1,1,0,0,0,0|2,0,0]=4 70 B10R1.8 COC1=CC(Br)=CC(Cl)=C1 CS-W005370 [1,1,0,0,0,0|1,0,0]=3 71 B10R1.8 N#CC1=CC(Cl)=CC(O)=C1 CS-W018943 [1,1,0,0,0,0|2,0,0]=4 72 B10R1.10 CC1=CC(CC#N)=CC=C1 CS-W005445 [1,1,0,0,0,0|1,0,1]=4 73 B10R1.10 NCCC1=CC(Cl)=CC=C1 CS-W005099 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.10 OCCC1=CC(Br)=CC=C1 CS-W007864 [1,1,0,0,0,0|2,0,0]=4 75 B10R1.30 CC1=CC(NN)=C(C)C=C1 CS-W008218 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.30 COC1=C(Br)C=CC(N)=C1 CS-W007360 [1,1,0,0,0,0|1,0,0]=3 77 B10R1.30 COC1=C(F)C=CC(Br)=C1 CS-W008098 [1,1,0,0,0,0|1,0,0]=3 78 B10R1.30 COC1=CC(Cl)=CC=C1Br CS-W019965 [1,1,0,0,0,0|1,0,0]=3 79 B10R1.30 COC1=CC(F)=CC=C1N CS-B0927 [1,1,0,0,0,0|1,0,0]=3 80 B10R1.30 COC1=CC(O)=CC=C1F CS-W022178 [1,1,0,0,0,0|0,0,0]=2 81 B10R1.30 N#CC1=C(Br)C=CC(O)=C1 CS-W019014 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.113 CC(=O)C1=CC(I)=CC=C1 CS-W010241 [1,1,0,0,0,0|2,0,0]=4 83 B10R1.113 CC(=O)C1=CC=CC(Br)=C1 CS-W009131 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.113 CC(=O)C1=CC=CC(C)=C1 CS-W013375 [1,1,0,0,0,0|1,0,0]=3 85 B10R1.113 CC(=O)C1=CC=CC(O)=C1 CS-0015375 [1,1,0,0,0,0|1,0,0]=3 86 B10R1.113 CC(=O)C1=NC=CC(C)=C1 CS-W013352 [1,1,0,0,0,0|2,0,0]=4 87 B10R1.113 CC(N)C1=CC(O)=CC=C1 CS-M0013 [1,1,0,0,0,0|1,0,0]=3 88 B10R1.113 C[C@@H](O)C1=CC(Cl)=CC=C1 CS-W007109 [1,1,0,0,0,0|2,0,0]=4 89 B10R1.176 CC1=C(O)C=C(C#N)C=C1 CS-W018936 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.176 CC1=CC(C#N)=CC=C1F CS-W003101 [1,1,0,0,0,0|2,0,0]=4 91 B10R1.176 CC1=CC(C#N)=CC=C1O CS-W006508 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.176 CC1=CC(C=O)=CC=C1O CS-W008110 [1,1,0,0,0,0|2,0,0]=4 93 B10R1.176 CC1=CC(CO)=CC=C1Br CS-0042936 [1,1,0,0,0,0|2,0,0]=4 94 B10R1.176 CC1=CC=C(NN)C=C1C CS-W016019 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.176 COC1=CC(Br)=C(F)C=C1 CS-W021590 [1,1,0,0,0,0|1,0,0]=3 96 B10R1.176 COC1=CC(Cl)=C(O)C=C1 CS-W008217 [1,1,0,0,0,0|1,0,0]=3 97 B10R1.176 COC1=CC(F)=C(Br)C=C1 CS-W008401 [1,1,0,0,0,0|1,0,0]=3 98 B10R1.176 COC1=CC(F)=C(Cl)C=C1 CS-W010874 [1,1,0,0,0,0|1,0,0]=3 99 B10R1.176 COC1=CC(O)=C(I)C=C1 CS-W021705 [1,1,0,0,0,0|0,0,0]=2 100 B10R1.176 COC1=CC=C(Br)C(Cl)=C1 CS-0007554 [1,1,0,0,0,0|1,0,0]=3 101 B10R1.176 COC1=CC=C(F)C(F)=C1 CS-M0333 [1,1,0,0,0,0|1,0,0]=3 102 B10R1.176 COC1=CC=C(F)C(N)=C1 CS-W009062 [1,1,0,0,0,0|1,0,0]=3 103 B10R1.176 COC1=CC=C(N)C(Cl)=N1 CS-W021831 [1,1,0,0,0,0|2,0,0]=4 104 B10R1.176 N#CC1=CC(O)=C(F)C=C1 CS-W005781 [1,1,0,0,0,0|2,0,0]=4 105 B10R1.176 N#CC1=CC=C(O)C(O)=C1 CS-W008780 [1,1,0,0,0,0|2,0,0]=4 106 B10R1.176 OCC1=CC=C(I)C(O)=C1 CS-W018963 [1,1,0,0,0,0|2,0,0]=4 107 B12R1.11 COC1=CC(Br)=CC([N+](=O)[O-])=C1 CS-M0503 [0,2,0,0,0,0|2,0,0]=4 108 B12R1.11 COC1=CC(C(=O)O)=CC(C)=C1 CS-W018772 [0,2,0,0,0,0|2,0,0]=4 109 B12R1.11 COC1=CC(C(=O)O)=CC(Cl)=C1 CS-WAA0107 [0,2,0,0,0,0|2,0,0]=4 110 B12R1.58 CCC1=CC(CC)=CC(CC)=C1 CS-0046776 [0,2,0,0,0,0|2,0,0]=4 111 B12R1.58 COC1=CC(C=O)=CC(OC)=C1 CS-W007626 [0,2,0,0,0,0|0,0,0]=2 112 B12R1.58 COC1=CC(CN)=CC(OC)=C1 CS-W010798 [0,2,0,0,0,0|0,0,0]=2 113 B12R1.270 COC1=CC=C(Br)C(CCO)=C1 CS-0099777 [0,2,0,0,0,0|1,0,0]=3 114 B12R1.286 COC1=CC(CC#N)=CC=C1C CS-W021952 [0,2,0,0,0,0|1,0,1]=4 115 B12R1.435 CCC(=O)C1=CC(OC)=CC=C1 CS-0005775 [0,2,0,0,0,0|1,0,0]=3 116 B12R1.435 COC(=O)C1=NC(OC)=CC=C1 CS-W005843 [0,2,0,0,0,0|1,0,0]=3 117 B12R1.435 COC1=CC(C(=O)C=O)=CC=C1 CS-0042611 [0,2,0,0,0,0|1,0,1]=4 118 B12R1.438 COC1=CC=CC(NC(C)=O)=C1 CS-M0190 [0,2,0,0,0,0|1,0,0]=3 119 B12R1.438 N#CC1=CC=CC(OC(F)F)=C1 CS-0096818 [0,2,0,0,0,0|2,0,0]=4 120 B12R1.56 COC1=C(F)C=CC(C(=O)O)=C1 CS-W017707 [0,2,0,0,0,0|2,0,0]=4 121 B12R1.56 COC1=CC(C(=O)O)=CC=C1Br CS-D1614 [0,2,0,0,0,0|2,0,0]=4 122 B12R1.56 COC1=CC([N+](=O)[O-])=CC=C1Cl CS-W020612 [0,2,0,0,0,0|2,0,0]=4 123 B12R1.56 COC1=CC([N+](=O)[O-])=CC=C1F CS-D1128 [0,2,0,0,0,0|2,0,0]=4 124 B12R1.440 COC1=CC=CC([N+](=O)[O-])=C1C CS-M0610 [0,2,0,0,0,0|2,0,0]=4 125 B12R1.453 COC1=CC(N(=O)=O)=C(Br)C=C1 CS-W008002 [0,2,0,0,0,0|2,0,0]=4 126 B12R1.453 COC1=CC([N+](=O)[O-])=C(Cl)C=C1 CS-W001190 [0,2,0,0,0,0|2,0,0]=4 127 B12R1.453 COC1=CC=C(Cl)C(B(O)O)=C1 CS-M1978 [0,2,0,0,0,0|2,0,0]=4 128 B12R1.453 COC1=CC=C(F)C([N+](=O)[O-])=C1 CS-W007748 [0,2,0,0,0,0|2,0,0]=4 129 B12R1.453 COC1=CC=C(I)C(C(=O)O)=C1 CS-W005683 [0,2,0,0,0,0|2,0,0]=4 130 B12R1.1879 COC1=CC=CC(CO)=C1OC CS-Z0027 [0,2,0,0,0,0|2,0,0]=4 131 B12R1.1879 COC1=CC=CC(OC)=C1C#N CS-0028775 [0,2,0,0,0,0|0,0,0]=2 132 B12R1.78 COC1=CC=C(C=O)C=C1OC CS-W019906 [0,2,0,0,0,0|2,0,0]=4 133 B12R2.44 COC1=CC2=C(C=C1)CCN2 CS-0043041 [0,1,0,1,0,0|1,0,0]=3 134 B12R2.44 COC1=CC2=C(C=C1)N=NS2 CS-W020430 [0,1,0,1,0,0|1,1,0]=4 135 B12R2.44 COC1=CC=C2NC=CC2=C1 CS-W007328 [0,1,0,1,0,0|1,0,1]=4 136 B10R1.3 C=CC1=CC=C(OC)C=C1 CS-W013377 [0,0,0,0,1,1|1,0,1]=4 137 B10R1.3 COC1=CC=C(C=O)C=N1 CS-D0960 [0,0,0,0,1,1|2,0,0]=4 138 B10R1.3 COC1=CC=C(CO)C=C1 CS-W016493 [0,0,0,0,1,1|2,0,0]=4 139 B10R1.3 COC1=CC=C(CO)C=N1 CS-W018598 [0,0,0,0,1,1|2,0,0]=4 140 B10R1.3 COC1=CC=C(OC)C=C1 CS-W016496 [0,0,0,0,1,1|0,0,0]=2 141 B10R1.3 COC1=NC=C(NN)C=C1 CS-W005755 [0,0,0,0,1,1|2,0,0]=4