0 B10R1.10 CC1=CC(CNN)=CC=C1 CS-0046882 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.10 CNCC1=CC=CC(Cl)=C1 CS-0030402 [0,0,0,0,0,0|2,1,0]=3 2 B10R1.10 N#CCC1=CC=CC(Br)=C1 CS-W008786 [0,0,0,0,0,0|0,0,2]=2 3 B10R1.10 N#CCC1=CC=CC(Br)=N1 CS-0036385 [0,0,0,0,0,0|1,0,2]=3 4 B10R1.10 N#CCC1=CC=CC(N)=C1 CS-W018941 [0,0,0,0,0,0|1,0,2]=3 5 B9R1.2 BrCC1=CC(Br)=NC=C1 CS-W021606 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.2 BrCC1=NC(Br)=CC=C1 CS-W005793 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.2 C#CC1=CC(N)=CC=C1 CS-W007423 [1,0,0,0,0,0|1,0,2]=4 8 B9R1.2 C#CC1=CC(O)=CC=C1 CS-W009224 [1,0,0,0,0,0|1,0,2]=4 9 B9R1.2 CC1=CC(CCl)=NC=C1 CS-W006718 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.2 CC1=CC=CC(NN)=N1 CS-W021701 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.2 CC1=NC=CC(CN)=C1 CS-0104071 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.2 CNC1=CC=CC(Cl)=C1 CS-0108516 [1,0,0,0,0,0|1,1,0]=3 13 B9R1.2 CNC1=NC=CC(Br)=N1 CS-W009033 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.2 COC1=CC(Br)=NC=C1 CS-D1649 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.2 COC1=CC(N)=NC=C1 CS-D1774 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.2 COC1=CC(O)=CC=N1 CS-B0744 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.2 COC1=CN=CC(Br)=C1 CS-W007427 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.2 COC1=NC=CC(Cl)=C1 CS-W019075 [1,0,0,0,0,0|2,1,0]=4 19 B9R1.2 CSC1=CC(O)=CC=C1 CS-0033742 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.2 CSC1=CC=CC(N)=C1 CS-W017751 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.2 CSC1=NC=CC(Br)=N1 CS-D1363 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.2 ClCC1=CC(Cl)=CN=C1 CS-0033484 [1,0,0,0,0,0|2,1,0]=4 23 B9R1.2 N#CC1=CC(I)=CC=C1 CS-W010393 [1,0,0,0,0,0|0,1,2]=4 24 B9R1.2 N#CC1=NC=CC(Br)=C1 CS-W019598 [1,0,0,0,0,0|1,0,2]=4 25 B9R1.2 NC1=CC=CC(CO)=C1 CS-W019472 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.2 NC1=NC=CC(CBr)=C1 CS-0046897 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.2 NCC1=CC(Br)=NC=C1 CS-0042745 [1,0,0,0,0,0|1,0,0]=2 28 B9R1.2 NCC1=CC(Cl)=CC=C1 CS-W007429 [1,0,0,0,0,0|0,1,0]=2 29 B9R1.2 NCC1=CC(F)=CN=C1 CS-W005699 [1,0,0,0,0,0|1,1,0]=3 30 B9R1.2 NCC1=CC(F)=NC=C1 CS-0040889 [1,0,0,0,0,0|1,1,0]=3 31 B9R1.2 NCC1=NC(Br)=CC=C1 CS-W019867 [1,0,0,0,0,0|1,0,0]=2 32 B9R1.2 NCC1=NC=CC(Br)=C1 CS-W019223 [1,0,0,0,0,0|1,0,0]=2 33 B9R1.2 NCC1=NC=CC(Cl)=C1 CS-W004866 [1,0,0,0,0,0|1,1,0]=3 34 B9R1.2 NNC1=CC=CC(F)=C1 CS-W017926 [1,0,0,0,0,0|1,1,0]=3 35 B9R1.2 O=C1C=C(CO)C=CN1 CS-0033712 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.2 OCC1=CC=CC(F)=C1 CS-W021926 [1,0,0,0,0,0|1,1,0]=3 37 B9R1.2 OCC1=NC(Br)=CC=C1 CS-D0981 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.2 OCC1=NC(F)=CC=C1 CS-W006285 [1,0,0,0,0,0|2,1,0]=4 39 B9R1.8 CCCC1=CC=CC=C1 CS-0035165 [1,0,0,0,0,0|1,0,0]=2 40 B9R1.8 CNCC1=NC=CC=C1 CS-0062387 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.8 NNCC1=CC=CN=C1 CS-W021776 [1,0,0,0,0,0|2,0,0]=3 42 B11R1.23 CCC(=O)C1=NC(Br)=CC=C1 CS-0059800 [0,1,0,0,0,0|2,0,1]=4 43 B11R1.23 CNC(=O)C1=CC=CC(Br)=C1 CS-W020621 [0,1,0,0,0,0|2,0,1]=4 44 B11R1.23 NC(CO)C1=CC=CC(Cl)=C1 CS-M2109 [0,1,0,0,0,0|1,1,0]=3 45 B11R1.23 NCC(=O)C1=CC=CC(Br)=C1 CS-0037552 [0,1,0,0,0,0|0,0,1]=2 46 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 CS-B0677 [0,1,0,0,0,0|1,1,0]=3 47 B11R1.23 N[C@H](CO)C1=CC=CC(Cl)=C1 CS-B0678 [0,1,0,0,0,0|1,1,0]=3 48 B11R1.23 O=C(CBr)C1=CC(F)=CC=C1 CS-W008243 [0,1,0,0,0,0|1,1,1]=4 49 B11R1.24 C#CCOC1=CC=CC(N)=C1 CS-0088941 [0,1,0,0,0,0|2,0,1]=4 50 B11R1.24 FC1=CC=CC(OCCBr)=C1 CS-0038703 [0,1,0,0,0,0|1,1,0]=3 51 B11R1.24 NCCOC1=CC=CC(Br)=C1 CS-0018040 [0,1,0,0,0,0|0,0,0]=1 52 B11R1.24 O=CCCC1=CC=CC(Br)=C1 CS-B0312 [0,1,0,0,0,0|1,0,0]=2 53 B11R1.24 OCCCC1=CC=CC(Br)=C1 CS-B0313 [0,1,0,0,0,0|1,0,0]=2 54 B11R1.157 CC(C)OC1=CC(Br)=CC=N1 CS-0036316 [0,1,0,0,0,0|3,0,0]=4 55 B11R1.157 CC(C)OC1=CC=CC(Br)=C1 CS-M1734 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.157 CC(C)OC1=CC=CC(O)=C1 CS-0032819 [0,1,0,0,0,0|3,0,0]=4 57 B11R1.157 FC(F)OC1=NC=CC(Br)=C1 CS-W019083 [0,1,0,0,0,0|3,0,0]=4 58 B11R1.157 N=C(N)NC1=CC(Cl)=CC=C1 CS-M0494 [0,1,0,0,0,0|1,1,1]=4 59 B11R1.157 O=C(O)CC1=CC=CC(I)=C1 CS-W008629 [0,1,0,0,0,0|1,1,1]=4 60 B11R1.182 N#CCC1=CC(Br)=CC=C1F CS-0097296 [0,1,0,0,0,0|0,0,2]=3 61 B11R1.182 N#CCC1=CC(F)=CC=C1Br CS-0097921 [0,1,0,0,0,0|0,1,2]=4 62 B11R1.189 COC1=CC=CC(CCN)=C1 CS-M3354 [0,1,0,0,0,0|1,0,0]=2 63 B11R1.189 N#CC1=CC=CC(CCO)=C1 CS-W023073 [0,1,0,0,0,0|2,0,0]=3 64 B11R1.192 N#CCC1=CC=C(F)C(Br)=C1 CS-0046226 [0,1,0,0,0,0|0,0,2]=3 65 B11R2.36 BrC1=CC2=C(C=C1)CCN2 CS-W005428 [0,0,0,1,0,0|2,0,0]=3 66 B11R2.36 BrC1=CC2=C(C=C1)ON=C2 CS-W009036 [0,0,0,1,0,0|2,0,1]=4 67 B11R2.36 BrC1=CC2=C(N=C1)NC=C2 CS-B0096 [0,0,0,1,0,0|1,0,2]=4 68 B11R2.36 BrC1=CC2=C(N=C1)NC=N2 CS-W005621 [0,0,0,1,0,0|2,0,1]=4 69 B11R2.36 BrC1=CC=C2C=CSC2=C1 CS-D0500 [0,0,0,1,0,0|2,0,1]=4 70 B11R2.36 BrC1=CC=C2COCC2=C1 CS-0037778 [0,0,0,1,0,0|2,0,0]=3 71 B11R2.36 BrC1=CC=C2NCCC2=C1 CS-M0075 [0,0,0,1,0,0|0,0,0]=1 72 B11R2.36 BrC1=CC=C2NN=CC2=C1 CS-B0441 [0,0,0,1,0,0|1,0,1]=3 73 B11R2.36 BrC1=CC=C2NN=CC2=N1 CS-W009525 [0,0,0,1,0,0|2,0,1]=4 74 B11R2.36 BrC1=CC=C2SC=CC2=C1 CS-W007558 [0,0,0,1,0,0|1,0,2]=4 75 B11R2.36 BrC1=CN=C2NCCC2=C1 CS-M1220 [0,0,0,1,0,0|1,0,0]=2 76 B11R2.36 CC1=CC2=C(C=C1)NN=C2 CS-W011089 [0,0,0,1,0,0|2,0,1]=4 77 B11R2.36 ClC1=CC2=C(C=C1)CCN2 CS-0043962 [0,0,0,1,0,0|2,1,0]=4 78 B11R2.36 ClC1=CC=C2CNCC2=C1 CS-W005214 [0,0,0,1,0,0|2,1,0]=4 79 B11R2.36 FC1=CC=C2OCCC2=C1 CS-0084551 [0,0,0,1,0,0|1,1,0]=3 80 B11R2.36 IC1=CC2=C(C=C1)CCN2 CS-0044883 [0,0,0,1,0,0|2,1,0]=4 81 B11R2.36 IC1=CC=C2CCCC2=C1 CS-B0805 [0,0,0,1,0,0|1,1,0]=3 82 B11R2.36 OC1=CC=C2OCCC2=C1 CS-B1237 [0,0,0,1,0,0|2,0,0]=3 83 B11R2.106 BrC1=C2C=CSC2=CC=C1 CS-W019783 [0,0,0,1,0,0|2,0,1]=4 84 B11R2.106 BrC1=C2NC=NC2=CC=C1 CS-W004724 [0,0,0,1,0,0|1,0,1]=3 85 B11R2.106 BrC1=C2OCOC2=CC=C1 CS-W022086 [0,0,0,1,0,0|2,0,0]=3 86 B11R2.106 BrC1=C2SC=NC2=CC=C1 CS-D0222 [0,0,0,1,0,0|2,0,1]=4 87 B11R2.106 BrC1=CC=CC2=C1CCC2 CS-0028240 [0,0,0,1,0,0|1,0,0]=2 88 B11R2.106 BrC1=CC=CC2=C1NN=C2 CS-W020697 [0,0,0,1,0,0|1,0,1]=3 89 B11R2.106 CC1=C2NC=NC2=CC=C1 CS-0012653 [0,0,0,1,0,0|2,0,1]=4 90 B11R2.106 FC1=CC=CC2=C1NN=C2 CS-W019999 [0,0,0,1,0,0|1,1,1]=4 91 B11R2.106 NC1=C2NN=CC2=CC=C1 CS-0008181 [0,0,0,1,0,0|2,0,1]=4 92 B11R2.106 OC1=C2NN=NC2=CC=C1 CS-0063814 [0,0,0,1,0,0|3,0,0]=4 93 B11R2.106 OC1=C2OCOC2=CC=C1 CS-0086795 [0,0,0,1,0,0|3,0,0]=4 94 B8R1.2 NCC1=CC=NC=C1 CS-W005997 [2,0,0,0,0,0|1,0,0]=3 95 B8R1.2 NCC1=NC=NC=C1 CS-W018555 [2,0,0,0,0,0|2,0,0]=4 96 B8R1.2 NNC1=CC=CC=N1 CS-W007453 [2,0,0,0,0,0|2,0,0]=4 97 B8R1.2 NNC1=CC=CN=C1 CS-W021932 [2,0,0,0,0,0|2,0,0]=4 98 B8R1.2 SCC1=NC=CC=C1 CS-D0562 [2,0,0,0,0,0|2,0,0]=4 99 B8R1.4 BrC1=CC(I)=CN=C1 CS-W007831 [2,0,0,0,0,0|2,0,0]=4 100 B8R1.4 BrC1=NC(I)=CC=C1 CS-W012247 [2,0,0,0,0,0|2,0,0]=4 101 B8R1.4 BrC1=NC=CC(I)=C1 CS-W008398 [2,0,0,0,0,0|2,0,0]=4 102 B8R1.4 CC1=CC(Br)=NC=N1 CS-W018676 [2,0,0,0,0,0|2,0,0]=4 103 B8R1.4 CC1=CC(F)=NC=C1 CS-W011273 [2,0,0,0,0,0|1,1,0]=4 104 B8R1.4 CC1=CC(O)=NC=C1 CS-W017769 [2,0,0,0,0,0|2,0,0]=4 105 B8R1.4 CC1=CC=CC(I)=N1 CS-0042063 [2,0,0,0,0,0|1,1,0]=4 106 B8R1.4 CC1=NC=CC(I)=C1 CS-W018720 [2,0,0,0,0,0|1,1,0]=4 107 B8R1.4 ClC1=NC=CC(Br)=C1 CS-D0939 [2,0,0,0,0,0|2,0,0]=4 108 B8R1.4 FC1=NC=CC(Br)=C1 CS-D0936 [2,0,0,0,0,0|2,0,0]=4 109 B8R1.4 IC1=CC=CC(I)=C1 CS-W005100 [2,0,0,0,0,0|1,1,0]=4 110 B8R1.4 NC1=CC(Br)=CN=C1 CS-D0805 [2,0,0,0,0,0|1,0,0]=3 111 B8R1.4 NC1=CC(F)=NC=C1 CS-W007675 [2,0,0,0,0,0|1,1,0]=4 112 B8R1.4 NC1=CC=CC(I)=C1 CS-W007373 [2,0,0,0,0,0|0,1,0]=3 113 B8R1.4 NC1=CN=CC(Br)=N1 CS-W005068 [2,0,0,0,0,0|2,0,0]=4 114 B8R1.4 NC1=NC(I)=CC=C1 CS-0029508 [2,0,0,0,0,0|1,1,0]=4 115 B8R1.4 NC1=NC=CC(Br)=C1 CS-D0698 [2,0,0,0,0,0|1,0,0]=3 116 B8R1.4 NC1=NC=CC(Cl)=C1 CS-W008962 [2,0,0,0,0,0|1,1,0]=4 117 B8R1.4 NC1=NC=CC(I)=C1 CS-0040803 [2,0,0,0,0,0|1,1,0]=4 118 B10R1.2 CC1=C(Br)C=CC=C1C=O CS-0035195 [1,1,0,0,0,0|1,0,1]=4 119 B10R1.2 CC1=C(Br)C=NC=C1CO CS-0047166 [1,1,0,0,0,0|2,0,0]=4 120 B10R1.2 COC1=C(Br)C(Cl)=CC=C1 CS-0107590 [1,1,0,0,0,0|1,1,0]=4 121 B10R1.2 COC1=C(Br)C(I)=CC=C1 CS-0100432 [1,1,0,0,0,0|1,1,0]=4 122 B10R1.2 COC1=C(Br)C(N)=CC=C1 CS-W021602 [1,1,0,0,0,0|2,0,0]=4 123 B10R1.2 COC1=C(Cl)C(N)=CC=C1 CS-B0017 [1,1,0,0,0,0|2,0,0]=4 124 B10R1.2 COC1=CC=CC(C)=C1N CS-W007802 [1,1,0,0,0,0|2,0,0]=4 125 B10R1.2 COC1=CC=CC(N)=C1F CS-W004858 [1,1,0,0,0,0|2,0,0]=4 126 B10R1.2 COC1=CC=CC(O)=C1Br CS-W005377 [1,1,0,0,0,0|2,0,0]=4 127 B10R1.2 COC1=CC=CC(O)=C1Cl CS-W019076 [1,1,0,0,0,0|2,0,0]=4 128 B10R1.2 CSC1=C(C)C(Cl)=CC=C1 CS-0046918 [1,1,0,0,0,0|1,1,0]=4 129 B10R1.2 N#CC1=C(F)C(Br)=CC=C1 CS-W004852 [1,1,0,0,0,0|0,0,2]=4 130 B10R1.2 NC1=C(Br)C=CC=C1CO CS-0042660 [1,1,0,0,0,0|1,0,0]=3 131 B10R1.2 NC1=CC=CC(CO)=C1F CS-W021082 [1,1,0,0,0,0|2,0,0]=4 132 B10R1.2 NNC1=CC=CC(F)=C1F CS-0042640 [1,1,0,0,0,0|1,1,0]=4 133 B10R1.2 O=CC1=CC=CC(Br)=C1F CS-M0189 [1,1,0,0,0,0|1,0,1]=4 134 B10R1.8 CC1=CC(C=O)=CC(Br)=C1 CS-W005073 [1,1,0,0,0,0|1,0,1]=4 135 B10R1.8 COC1=CC(Br)=CC(N)=C1 CS-B0549 [1,1,0,0,0,0|1,0,0]=3 136 B10R1.8 COC1=CC(C)=CC(Br)=C1 CS-W007784 [1,1,0,0,0,0|1,0,0]=3 137 B10R1.8 COC1=CC(Cl)=CC(O)=C1 CS-D1537 [1,1,0,0,0,0|1,1,0]=4 138 B10R1.8 COC1=CC(N)=CC(C)=C1 CS-W009064 [1,1,0,0,0,0|2,0,0]=4 139 B10R1.8 NNC1=CC(F)=CC(F)=C1 CS-0042773 [1,1,0,0,0,0|1,1,0]=4 140 B10R1.8 O=CC1=CC(Br)=CC(Cl)=C1 CS-W008214 [1,1,0,0,0,0|1,0,1]=4 141 B10R1.8 O=CC1=CC(Br)=CC(F)=C1 CS-W008160 [1,1,0,0,0,0|1,0,1]=4 142 B10R1.8 OCC1=CC(Br)=CC(Br)=C1 CS-W006384 [1,1,0,0,0,0|1,0,0]=3 143 B10R1.30 CC1=CC=C(Br)C(CO)=C1 CS-0096053 [1,1,0,0,0,0|2,0,0]=4 144 B10R1.30 COC1=C(Br)C=CC(C)=C1 CS-W004967 [1,1,0,0,0,0|2,0,0]=4 145 B10R1.30 COC1=C(Br)C=CC(F)=C1 CS-W007814 [1,1,0,0,0,0|1,1,0]=4 146 B10R1.30 COC1=C(C)C=CC(N)=C1 CS-W007666 [1,1,0,0,0,0|2,0,0]=4 147 B10R1.30 COC1=C(N)C=CC(Br)=N1 CS-W006184 [1,1,0,0,0,0|2,0,0]=4 148 B10R1.30 COC1=C(N)C=CC(Cl)=C1 CS-0043926 [1,1,0,0,0,0|1,1,0]=4 149 B10R1.30 COC1=C(N)N=CC(Br)=C1 CS-W005608 [1,1,0,0,0,0|2,0,0]=4 150 B10R1.30 COC1=CC(Br)=CC=C1I CS-W020552 [1,1,0,0,0,0|1,0,0]=3 151 B10R1.30 COC1=CC(Br)=CC=C1N CS-W009042 [1,1,0,0,0,0|1,0,0]=3 152 B10R1.30 COC1=CC(Br)=CC=C1O CS-W007865 [1,1,0,0,0,0|1,0,0]=3 153 B10R1.30 COC1=CC(C)=CC=C1C CS-W023068 [1,1,0,0,0,0|2,0,0]=4 154 B10R1.30 COC1=CC(I)=CC=C1Br CS-0063934 [1,1,0,0,0,0|1,1,0]=4 155 B10R1.30 COC1=CC(I)=CC=C1F CS-0103252 [1,1,0,0,0,0|1,1,0]=4 156 B10R1.30 CSC1=CC(Br)=CC=C1N CS-W020204 [1,1,0,0,0,0|1,0,0]=3 157 B10R1.30 NC1=CC=C(Br)C=C1CO CS-W005467 [1,1,0,0,0,0|1,0,0]=3 158 B10R1.30 NNC1=CC(F)=CC=C1Cl CS-0030575 [1,1,0,0,0,0|1,1,0]=4 159 B10R1.30 O=CC1=CC(Br)=CC=C1I CS-W019684 [1,1,0,0,0,0|1,0,1]=4 160 B10R1.30 OCC1=CC(I)=CC=C1Br CS-0031364 [1,1,0,0,0,0|1,1,0]=4 161 B10R1.30 OCC1=CC(O)=CC=C1Cl CS-0102187 [1,1,0,0,0,0|2,0,0]=4 162 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 CS-W015631 [1,1,0,0,0,0|1,0,1]=4 163 B10R1.113 CC(C)C1=NC=CC(Br)=C1 CS-0102081 [1,1,0,0,0,0|1,0,0]=3 164 B10R1.113 CC(N)C1=CC=CC(F)=C1 CS-0040943 [1,1,0,0,0,0|0,1,0]=3 165 B10R1.113 CC1=CC([C@@H](C)N)=CC=C1 CS-W020506 [1,1,0,0,0,0|1,0,0]=3 166 B10R1.113 CN(C)C1=CC(Br)=NC=C1 CS-W005087 [1,1,0,0,0,0|2,0,0]=4 167 B10R1.113 CN(C)C1=NC=CC(Br)=C1 CS-W006697 [1,1,0,0,0,0|2,0,0]=4 168 B10R1.113 C[C@@H](N)C1=CC=CC(Br)=C1 CS-0008494 [1,1,0,0,0,0|0,0,0]=2 169 B10R1.113 N=C(N)C1=CC(Cl)=CC=C1 CS-W020729 [1,1,0,0,0,0|0,1,1]=4 170 B10R1.113 NC1=CC(C(F)F)=CC=C1 CS-0037842 [1,1,0,0,0,0|2,0,0]=4 171 B10R1.113 OB(O)C1=CC(Br)=CC=C1 CS-W004715 [1,1,0,0,0,0|2,0,0]=4 172 B10R1.172 C#CC1=CC(SC)=CC=C1 CS-0038712 [1,1,0,0,0,0|2,0,0]=4 173 B10R1.172 CCC1=CC(C=O)=CC=C1 CS-W006593 [1,1,0,0,0,0|1,0,0]=3 174 B10R1.172 CCC1=CC=CC(CC)=N1 CS-W021526 [1,1,0,0,0,0|2,0,0]=4 175 B10R1.172 COC1=CC=CC(CN)=C1 CS-W007351 [1,1,0,0,0,0|1,0,0]=3 176 B10R1.172 COC1=CC=CC(NN)=C1 CS-W017475 [1,1,0,0,0,0|2,0,0]=4 177 B10R1.176 CC1=C(Br)C=C(C=O)C=C1 CS-W019169 [1,1,0,0,0,0|1,0,1]=4 178 B10R1.176 CN1C=C(CN)C=CC1=O CS-0050768 [1,1,0,0,0,0|2,0,0]=4 179 B10R1.176 COC1=CC(F)=C(N)C=C1 CS-W007366 [1,1,0,0,0,0|1,1,0]=4 180 B10R1.176 COC1=CC(I)=C(N)C=C1 CS-W004878 [1,1,0,0,0,0|1,1,0]=4 181 B10R1.176 COC1=CC(N)=C(C)C=C1 CS-W007983 [1,1,0,0,0,0|2,0,0]=4 182 B10R1.176 COC1=CC(N)=C(Cl)C=C1 CS-W010906 [1,1,0,0,0,0|2,0,0]=4 183 B10R1.176 COC1=CC=C(Br)C(I)=C1 CS-0031439 [1,1,0,0,0,0|1,1,0]=4 184 B10R1.176 COC1=CC=C(Cl)C(I)=C1 CS-0094426 [1,1,0,0,0,0|1,1,0]=4 185 B10R1.176 COC1=CC=C(I)C(Cl)=C1 CS-0101204 [1,1,0,0,0,0|1,1,0]=4 186 B10R1.176 COC1=CC=C(I)C(N)=C1 CS-W009158 [1,1,0,0,0,0|2,0,0]=4 187 B10R1.176 COC1=NC=C(Cl)C(Br)=C1 CS-0042007 [1,1,0,0,0,0|2,0,0]=4 188 B10R1.176 N#CC1=CC(Br)=C(O)C=C1 CS-W007522 [1,1,0,0,0,0|0,0,2]=4 189 B10R1.176 N#CC1=CC=C(F)C(Br)=C1 CS-0007567 [1,1,0,0,0,0|0,0,2]=4 190 B10R1.1 CCOC1=CC=C(O)C=C1 CS-W016502 [1,1,0,0,0,0|2,0,0]=4 191 B10R1.1 NCCC1=CC=C(Br)C=C1 CS-W009109 [1,1,0,0,0,0|0,0,0]=2 192 B10R1.4 CC1=CC=CC=C1CON CS-B1209 [1,1,0,0,0,0|1,0,0]=3 193 B10R1.4 N#CCC1=CC=CC=C1I CS-0041514 [1,1,0,0,0,0|0,0,2]=4 194 B10R1.15 C#CC(C)C1=CC=CC=C1 CS-B0615 [1,1,0,0,0,0|1,0,1]=4 195 B10R1.15 C#CC(O)C1=CC=CC=C1 CS-W013411 [1,1,0,0,0,0|1,0,1]=4 196 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 CS-0028334 [1,1,0,0,0,0|0,0,0]=2 197 B10R1.15 OCC(O)C1=CC=CC=C1 CS-W016504 [1,1,0,0,0,0|1,0,0]=3 198 B10R1.17 FCCNC1=CC=CC=C1 CS-W023117 [1,1,0,0,0,0|1,0,0]=3 199 B10R1.187 NCCN1C(=O)C=CC1=O CS-0099569 [0,1,0,0,1,0|2,0,0]=4 200 B12R1.224 O=C(O)CC1=C(F)C(Br)=CC=C1 CS-0041781 [0,2,0,0,0,0|1,0,1]=4 201 B12R1.17 C=CCC(N)C1=CC=CC(Cl)=C1 CS-0084577 [0,2,0,0,0,0|1,1,0]=4 202 B12R1.17 N#CCC(=O)C1=CC=CC(Br)=C1 CS-0094689 [0,2,0,0,0,0|0,0,2]=4 203 B12R1.354 CC1=C(C(=O)NN)C=C(Br)C=C1 CS-0038934 [0,2,0,0,0,0|1,0,1]=4 204 B12R1.367 OCC(O)C1=CC=C(Cl)C(F)=C1 CS-0084756 [0,2,0,0,0,0|1,1,0]=4 205 B12R1.367 OC[C@H](O)C1=CC=C(Cl)C(F)=C1 CS-M3280 [0,2,0,0,0,0|1,1,0]=4 206 B12R1.367 O[C@H](CCl)C1=CC=C(F)C(F)=C1 CS-0011366 [0,2,0,0,0,0|1,1,0]=4 207 B12R1.382 N#CC1=CC=CC(OCCBr)=C1 CS-0038832 [0,2,0,0,0,0|2,0,0]=4 208 B12R1.41 COC1=CC(N)=CC(CCO)=C1 CS-M0774 [0,2,0,0,0,0|2,0,0]=4 209 B12R1.127 O=C(O)CC1=C(Br)C=CC(Br)=C1 CS-M3358 [0,2,0,0,0,0|1,0,1]=4 210 B12R1.127 O=C(O)CC1=CC(Br)=CC=C1I CS-M3563 [0,2,0,0,0,0|1,0,1]=4 211 B12R1.268 CCOC1=CC(Br)=CC=C1C#N CS-0097292 [0,2,0,0,0,0|2,0,0]=4 212 B12R1.268 COC1=CC=C(Br)C=C1CC#N CS-0097806 [0,2,0,0,0,0|0,0,2]=4 213 B12R1.1123 N#CCC1=CC(Br)=C(F)C=C1Cl CS-0059719 [0,2,0,0,0,0|0,0,2]=4 214 B12R1.286 O=CC1=CC(CCO)=CC=C1Cl CS-0094856 [0,2,0,0,0,0|2,0,0]=4 215 B12R1.288 COC1=CC=C(CCN)C=C1O CS-W022238 [0,2,0,0,0,0|1,0,0]=3 216 B10R2.31 BrC1=CC=C2CCC2=C1 CS-W015996 [1,0,0,1,0,0|0,0,0]=2 217 B10R2.7 C1=CN=C2NCCC2=C1 CS-B0149 [1,0,0,1,0,0|1,0,0]=3 218 B10R2.320 BrC1CC2=CC=CC=C21 CS-W017070 [1,0,0,1,0,0|1,0,0]=3 219 B10R2.320 O=C1CC2=C1C=CC=C2 CS-W022591 [1,0,0,1,0,0|1,0,1]=4 220 B12R2.82 ClC1=C(Br)C=CC2=C1C=NN2 CS-0040204 [0,1,0,1,0,0|1,0,1]=4 221 B12R2.82 FC1=C(Br)C=CC2=C1C=CN2 CS-0050585 [0,1,0,1,0,0|0,0,2]=4 222 B12R2.202 NC1=NC2=C(Br)C=CC=C2S1 CS-W019966 [0,1,0,1,0,0|1,0,1]=4 223 B12R2.202 O=C1CC2=CC=CC(Br)=C2C1 CS-0051004 [0,1,0,1,0,0|1,0,1]=4 224 B12R2.1081 BrC1=C2CCCN=C2NC=C1 CS-0038086 [0,1,0,1,0,0|2,0,0]=4 225 B12R2.1081 BrC1=C2COCCC2=CC=C1 CS-0037565 [0,1,0,1,0,0|1,0,0]=3 226 B12R2.1081 BrC1=CC=CC2=C1CCCO2 CS-0042134 [0,1,0,1,0,0|1,0,0]=3 227 B12R2.1081 BrC1=CC=CC2=C1CCNC2 CS-D0886 [0,1,0,1,0,0|1,0,0]=3 228 B12R2.1081 BrC1=CC=CC2=C1CCNC2 CS-W022295 [0,1,0,1,0,0|1,0,0]=3 229 B12R2.1081 BrC1=CC=CC2=C1CNCC2 CS-W019710 [0,1,0,1,0,0|0,0,0]=2 230 B12R2.1081 OC1=C2CCNCC2=CC=C1 CS-0035767 [0,1,0,1,0,0|2,0,0]=4 231 B12R2.132 BrC1=CC2=C(C=C1)NN=C2I CS-M1446 [0,1,0,1,0,0|1,0,1]=4 232 B12R2.132 NC1CCC2=C1C=C(Cl)C=C2 CS-0101141 [0,1,0,1,0,0|1,1,0]=4 233 B12R2.132 O=C1NNC2=C1C=C(Br)C=C2 CS-D0107 [0,1,0,1,0,0|1,0,1]=4 234 B12R2.196 CC1=CNC2=C(Br)C=CC=C12 CS-0093897 [0,1,0,1,0,0|0,0,2]=4 235 B12R2.196 N[C@@H]1CCC2=C1C=CC=C2Br CS-0054964 [0,1,0,1,0,0|1,0,0]=3 236 B12R2.196 N[C@H]1CCC2=C1C=CC=C2Br CS-0054965 [0,1,0,1,0,0|1,0,0]=3 237 B12R2.196 OC1CCC2=C(Br)C=NC=C21 CS-0047494 [0,1,0,1,0,0|2,0,0]=4 238 B12R2.1282 NC1(C2=CC=CC(F)=C2)CC1 CS-0002318 [0,1,0,1,0,0|1,1,0]=4 239 B12R2.24 BrC1=CC2=C(C=C1)CCCN2 CS-0042152 [0,1,0,1,0,0|1,0,0]=3 240 B12R2.24 BrC1=CC2=C(C=C1)CNCC2 CS-D0238 [0,1,0,1,0,0|0,0,0]=2 241 B12R2.24 BrC1=CC2=C(C=C1)NCCO2 CS-W018893 [0,1,0,1,0,0|0,0,0]=2 242 B12R2.24 BrC1=CC2=C(C=C1)OCCC2 CS-M3131 [0,1,0,1,0,0|1,0,0]=3 243 B12R2.24 BrC1=CC=C2COCCC2=C1 CS-0037712 [0,1,0,1,0,0|1,0,0]=3 244 B12R2.24 BrC1=CC=C2NCCCC2=C1 CS-W019748 [0,1,0,1,0,0|0,0,0]=2 245 B12R2.24 BrC1=CC=C2NCCCC2=N1 CS-0047262 [0,1,0,1,0,0|1,0,0]=3 246 B12R2.24 CC1=CC2=C(C=C1)CCNC2 CS-0018990 [0,1,0,1,0,0|2,0,0]=4 247 B12R2.24 CC1=CC=C2CCNCC2=C1 CS-0035862 [0,1,0,1,0,0|2,0,0]=4 248 B12R2.24 CC1=CC=C2NCCSC2=C1 CS-0035469 [0,1,0,1,0,0|1,0,0]=3 249 B12R2.24 ClC1=CC2=C(C=C1)CCCN2 CS-0043151 [0,1,0,1,0,0|1,1,0]=4 250 B12R2.24 ClC1=CC2=C(C=C1)NCCC2 CS-0093764 [0,1,0,1,0,0|0,1,0]=3 251 B12R2.24 NC1=CC2=C(C=C1)CCCN2 CS-0100209 [0,1,0,1,0,0|2,0,0]=4 252 B12R2.24 NC1=CC2=C(C=C1)CCCN2 CS-W001873 [0,1,0,1,0,0|2,0,0]=4 253 B12R2.24 OC1=CC2=C(C=C1)CNCC2 CS-M3291 [0,1,0,1,0,0|1,0,0]=3 254 B12R2.24 OC1=CC2=C(C=C1)CNCC2 CS-M3353 [0,1,0,1,0,0|1,0,0]=3 255 B12R2.203 O=C1CCC2=CC=CC(F)=C12 CS-D0686 [0,1,0,1,0,0|1,1,0]=4 256 B12R2.203 OC1CCC2=C1C(Br)=CC=C2 CS-0101685 [0,1,0,1,0,0|1,0,0]=3 257 B12R2.612 NC1CCC2=C1C=CC(Br)=C2 CS-0101114 [0,1,0,1,0,0|0,0,0]=2 258 B12R2.612 NC1CCC2=C1C=CC(Cl)=C2 CS-W023083 [0,1,0,1,0,0|0,1,0]=3 259 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 CS-0099142 [0,1,0,1,0,0|0,0,0]=2 260 B12R2.612 O=C1CCC2=CC(Br)=CC=C12 CS-W008687 [0,1,0,1,0,0|1,0,0]=3 261 B12R2.612 O=C1CCC2=NC(Br)=CC=C12 CS-0044389 [0,1,0,1,0,0|2,0,0]=4 262 B12R2.612 OC1CCC2=CC(Br)=CC=C21 CS-0035517 [0,1,0,1,0,0|1,0,0]=3 263 B12R2.612 O[C@@H]1CCC2=CC(Br)=CC=C21 CS-0037358 [0,1,0,1,0,0|1,0,0]=3 264 B12R2.1286 BrC1=CC(OC2CC2)=NC=C1 CS-0097668 [0,1,0,1,0,0|2,0,0]=4 265 B12R2.1286 FC1=CC(OC2CC2)=CC=C1 CS-0087977 [0,1,0,1,0,0|1,1,0]=4 266 B12R2.246 CC1=C2NC=NC2=CC(Br)=C1 CS-0097822 [0,1,0,1,0,0|1,0,1]=4 267 B12R2.246 FC1=CC(Br)=C2NN=NC2=C1 CS-B1114 [0,1,0,1,0,0|2,0,0]=4 268 B12R2.606 CC1CC2=CC(Br)=CC=C2O1 CS-0037566 [0,1,0,1,0,0|1,0,0]=3 269 B12R2.606 N=C1NC2=C(C=C(Br)C=C2)O1 CS-W006120 [0,1,0,1,0,0|1,0,1]=4 270 B12R2.606 NC1=NC2=CC(Br)=CC=C2S1 CS-D0322 [0,1,0,1,0,0|1,0,1]=4 271 B12R2.606 NC1=NC2=CC=C(Br)C=C2N1 CS-B1190 [0,1,0,1,0,0|1,0,1]=4 272 B12R2.606 NC1CC2=CC(Br)=CN=C2C1 CS-0093550 [0,1,0,1,0,0|1,0,0]=3 273 B12R2.606 O=C1CC2=CC(Br)=CN=C2N1 CS-B0502 [0,1,0,1,0,0|1,0,1]=4 274 B12R2.606 O=C1CC2=CC(I)=CC=C2N1 CS-M1385 [0,1,0,1,0,0|0,1,1]=4 275 B12R2.606 OC1CC2=C(C=C(Br)C=C2)C1 CS-0028274 [0,1,0,1,0,0|1,0,0]=3 276 B12R2.221 BrC1=CC=C(Br)C2=C1C=CN2 CS-0041229 [0,1,0,1,0,0|0,0,2]=4 277 B12R2.221 CC1=CC=C(Br)C2=C1C=CN2 CS-0042321 [0,1,0,1,0,0|0,0,2]=4 278 B12R2.44 C#CC1=CC=C2CCCC2=C1 CS-B0804 [0,1,0,1,0,0|2,0,0]=4 279 B12R2.44 NCC1=CC2=C(C=C1)CCC2 CS-0036529 [0,1,0,1,0,0|2,0,0]=4 280 B12R2.44 O=CC1=CC2=C(C=C1)OCC2 CS-M2667 [0,1,0,1,0,0|2,0,0]=4 281 B12R2.44 OCC1=CC=C2OCCC2=C1 CS-M0931 [0,1,0,1,0,0|2,0,0]=4 282 B12R2.315 C#CC1=C2CCCC2=CC=C1 CS-B0614 [0,1,0,1,0,0|2,0,0]=4 283 B12R2.315 N#CC1=CC=CC2=C1NCC2 CS-B0547 [0,1,0,1,0,0|1,0,0]=3 284 B12R2.315 O=CC1=CC=CC2=C1OCC2 CS-W005801 [0,1,0,1,0,0|2,0,0]=4 285 B12R2.100 ClC1=CC2=C(C=CN2)C=C1Br CS-W006751 [0,1,0,1,0,0|0,0,2]=4 286 B12R2.100 FC1=C(Br)C=C2C=CNC2=C1 CS-0038344 [0,1,0,1,0,0|0,0,2]=4 287 B12R2.100 NC1=CC2=C(C=CN2)C=C1Br CS-0043008 [0,1,0,1,0,0|0,0,2]=4 288 B8R1.1 CC1=CC=C(CN)S1 CS-0036528 [1,0,0,0,1,0|2,0,0]=4 289 B8R1.1 NCC1=NC(Br)=CS1 CS-B1233 [1,0,0,0,1,0|2,0,0]=4 290 B8R1.11 NCC1=C(Cl)C=CS1 CS-0053372 [1,0,0,0,1,0|1,1,0]=4 291 B8R1.8 NCCN1C=CN=C1 CS-W005094 [1,0,0,0,1,0|2,0,0]=4 292 B8R1.8 OCCC1=CC=CO1 CS-0047160 [1,0,0,0,1,0|2,0,0]=4