0 B12R2.18 CC1=C(Br)C2=CC=CC=C2O1 CS-0061201 [0,0,0,0,0,0|4,0,0]=4 1 B12R2.18 CC1=C(C)C2=CC=CC=C2N1 CS-W010999 [0,0,0,0,0,0|3,0,0]=3 2 B12R2.18 CN1C(N)=NC2=C1C=CC=C2 CS-0038976 [0,0,0,0,0,0|2,0,1]=3 3 B11R2.1 BrC1=CNC2=C1C=CC=N2 CS-B0099 [1,0,0,0,0,0|3,0,0]=4 4 B11R2.1 BrC1=CSC2=CC=CC=C12 CS-W005311 [1,0,0,0,0,0|3,0,0]=4 5 B11R2.1 CC1=NNC2=C1C=CC=C2 CS-W019873 [1,0,0,0,0,0|3,0,0]=4 6 B11R2.1 CN1C=CC2=C1C=CC=C2 CS-W008981 [1,0,0,0,0,0|2,0,0]=3 7 B11R2.1 IC1=CNC2=C1C=CN=C2 CS-0041505 [1,0,0,0,0,0|3,0,0]=4 8 B11R2.1 NN1C=CC2=C1C=CC=C2 CS-D0779 [1,0,0,0,0,0|2,0,0]=3 9 B11R2.1 OB1OCC2=CC=CC=C12 CS-0078606 [1,0,0,0,0,0|3,0,0]=4 10 B11R2.1 OC1=NCC2=CC=CC=C21 CS-W004767 [1,0,0,0,0,0|3,0,0]=4 11 B11R2.1 OC1=NNC2=C1C=CC=N2 CS-0044051 [1,0,0,0,0,0|3,0,0]=4 12 B11R2.1 OC1=NSC2=CC=CC=C21 CS-W018117 [1,0,0,0,0,0|3,0,0]=4 13 B11R2.1 OC1CCC2=C1C=CC=C2 CS-0017842 [1,0,0,0,0,0|2,0,1]=4 14 B11R2.1 ON1N=NC2=CC=CN=C21 CS-W019594 [1,0,0,0,0,0|2,0,1]=4 15 B11R2.1 O[C@@H]1CCC2=C1C=CC=C2 CS-W013378 [1,0,0,0,0,0|2,0,1]=4 16 B11R2.10 BrC1=NC2=CC=CC=C2N1 CS-B1157 [1,0,0,0,0,0|1,0,1]=3 17 B11R2.10 BrC1=NC2=CC=CC=C2S1 CS-W004686 [1,0,0,0,0,0|2,0,1]=4 18 B11R2.10 CC1=CC2=C(C=CC=C2)S1 CS-W021725 [1,0,0,0,0,0|3,0,0]=4 19 B11R2.10 CC1=CC2=CC=CN=C2N1 CS-D0723 [1,0,0,0,0,0|3,0,0]=4 20 B11R2.10 CC1=NC2=CC=CC=C2N1 CS-W013410 [1,0,0,0,0,0|1,0,1]=3 21 B11R2.10 ClC1=NC2=CC=CC=C2S1 CS-W017711 [1,0,0,0,0,0|2,0,1]=4 22 B11R2.10 N=C1NC2=CC=CC=C2O1 CS-W007637 [1,0,0,0,0,0|2,0,0]=3 23 B11R2.10 NC1=NC2=CC=CC=C2N1 CS-D1373 [1,0,0,0,0,0|1,0,1]=3 24 B11R2.10 O=C1CC2=CC=CC=C2O1 CS-M0764 [1,0,0,0,0,0|2,0,0]=3 25 B11R2.10 O=C1CC2=CC=CN=C2N1 CS-W019704 [1,0,0,0,0,0|2,0,0]=3 26 B11R2.10 O=C1CN2C=CC=CC2=N1 CS-0005554 [1,0,0,0,0,0|2,0,1]=4 27 B11R2.10 O=C1NC2=C(C=CC=C2)S1 CS-W019496 [1,0,0,0,0,0|1,0,0]=2 28 B11R2.10 O=C1NC2=NC=CC=C2O1 CS-0012220 [1,0,0,0,0,0|2,0,0]=3 29 B11R2.10 OC1=CC2=C(N=CC=C2)N1 CS-0044054 [1,0,0,0,0,0|2,0,1]=4 30 B11R2.10 S=C1NC2=C(C=NC=C2)N1 CS-0095216 [1,0,0,0,0,0|1,1,0]=3 31 B11R2.10 S=C1NC2=C(C=NC=C2)S1 CS-0094237 [1,0,0,0,0,0|2,1,0]=4 32 B11R2.10 S=C1NC2=NC=CC=C2O1 CS-0081565 [1,0,0,0,0,0|2,1,0]=4 33 B11R2.10 SC1=NC2=CC=CC=C2O1 CS-W018116 [1,0,0,0,0,0|1,1,1]=4 34 B13R2.45 CN1C(C=O)=CC2=C1C=CC=C2 CS-0061738 [0,1,0,0,0,0|2,0,0]=3 35 B13R2.45 O=CC1=C(Br)C2=C(C=CC=C2)N1 CS-0103336 [0,1,0,0,0,0|2,0,0]=3 36 B13R2.135 O=CC1=C(Br)NC2=C1C=CC=C2 CS-0037200 [0,1,0,0,0,0|2,0,1]=4 37 B13R2.3028 CC1=NC2=CC=C(Br)C=C2N1C CS-0096083 [0,1,0,0,0,0|2,0,1]=4 38 B13R2.3028 O=C1NC2=C(C=C(Cl)C=C2)C1=O CS-D1123 [0,1,0,0,0,0|1,0,1]=3 39 B13R2.4825 CC1=C2NC(=O)C(=O)C2=CC=C1 CS-W007719 [0,1,0,0,0,0|1,0,1]=3 40 B13R2.4825 CC1=NC2=C(Br)C=CC=C2N1C CS-0097508 [0,1,0,0,0,0|2,0,1]=4 41 B13R2.4856 O=C1NC2=CC=CC(F)=C2C1=O CS-W018814 [0,1,0,0,0,0|1,0,1]=3 42 B13R2.5190 O=C1NC2=C(C=CC(Br)=C2)C1=O CS-W002793 [0,1,0,0,0,0|1,0,1]=3 43 B13R2.5190 O=C1NC2=C(C=CC(F)=C2)C1=O CS-0020156 [0,1,0,0,0,0|1,0,1]=3 44 B11R1.40 COC(=O)CC1=CC=CC=C1 CS-W018528 [0,0,1,0,0,0|3,0,0]=4 45 B11R1.40 O=C(CBr)NC1=CC=CC=C1 CS-D0368 [0,0,1,0,0,0|2,0,0]=3 46 B13R2.328 O=C1C=C(Cl)C2=C(C=CC=C2)O1 CS-0101677 [0,0,0,0,0,1|3,0,0]=4 47 B13R2.328 O=C1CC2=CC=CC=C2C(=O)O1 CS-W010863 [0,0,0,0,0,1|2,0,1]=4 48 B13R2.328 O=C1NC(=S)NC2=C1C=CC=C2 CS-0063895 [0,0,0,0,0,1|1,1,1]=4 49 B13R2.328 OC1=C2C=CC=CC2=CC(Br)=C1 CS-0040490 [0,0,0,0,0,1|3,0,0]=4 50 B13R2.369 CC1OC2=C(C=CC=C2)NC1=O CS-0035849 [0,0,0,0,0,1|2,0,0]=3 51 B13R2.369 N=C1NC2=CC=CC=C2C=C1Br CS-W006722 [0,0,0,0,0,1|3,0,0]=4 52 B10R1.18 CC(=O)NC1=CC=CN=C1 CS-0100272 [1,0,1,0,0,0|2,0,0]=4 53 B10R1.18 NC(=O)CC1=CC=CC=C1 CS-W018983 [1,0,1,0,0,0|1,0,0]=3 54 B10R1.18 NC(=O)OC1=CC=CC=C1 CS-0095625 [1,0,1,0,0,0|1,0,0]=3 55 B10R1.18 NC(=S)NC1=NC=CC=C1 CS-W018070 [1,0,1,0,0,0|1,1,0]=4 56 B10R1.18 O=C(O)CC1=CC=CC=N1 CS-W017541 [1,0,1,0,0,0|2,0,0]=4 57 B10R1.20 N#CC1=CC=CC=C1C=O CS-W004147 [1,0,1,0,0,0|2,0,0]=4 58 B10R1.20 O=CC1=CC=CC=C1C=O CS-W013385 [1,0,1,0,0,0|1,0,1]=4 59 B10R1.61 CC(=O)C1=CC=CC=C1N CS-D1191 [1,0,1,0,0,0|2,0,0]=4 60 B10R1.61 NC1=NC=CC=C1C(=O)O CS-W008765 [1,0,1,0,0,0|2,0,0]=4 61 B10R1.61 O=C(O)C1=CC=CC=C1Cl CS-B1789 [1,0,1,0,0,0|2,0,0]=4 62 B10R1.61 O=C(O)C1=CC=CC=C1I CS-D0909 [1,0,1,0,0,0|2,0,0]=4 63 B10R2.7 C1=CC2=C(C=C1)NCC2 CS-W009145 [2,0,0,0,0,0|1,0,1]=4 64 B10R2.7 C1=CC=C2NN=CC2=C1 CS-W008689 [2,0,0,0,0,0|2,0,0]=4 65 B10R2.7 C1=CC=C2SC=CC2=C1 CS-D1193 [2,0,0,0,0,0|2,0,0]=4 66 B10R2.7 C1=CN=C2C=CNC2=C1 CS-D1166 [2,0,0,0,0,0|2,0,0]=4 67 B10R2.7 C1=CN=C2NC=CC2=C1 CS-B0516 [2,0,0,0,0,0|2,0,0]=4 68 B10R2.7 C1=NC=C2NC=NC2=C1 CS-W005266 [2,0,0,0,0,0|1,0,1]=4 69 B12R1.20 O=C(O)C(O)C1=CC=C(F)C=C1 CS-0059151 [0,1,1,0,0,0|2,0,0]=4 70 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 CS-0011289 [0,1,1,0,0,0|2,0,0]=4 71 B12R1.34 [C@H](O)(C(=O)OC)C1=CC=CC=C1 CS-W017868 [0,1,1,0,0,0|2,0,0]=4 72 B12R1.124 O=C(O)C(O)C1=CC=CC=C1F CS-0059253 [0,1,1,0,0,0|2,0,0]=4 73 B12R1.225 O=C(O)C(O)C1=CC=CC(Cl)=C1 CS-B1390 [0,1,1,0,0,0|2,0,0]=4 74 B12R1.225 O=C(O)[C@H](O)C1=CC(Cl)=CC=C1 CS-B1332 [0,1,1,0,0,0|2,0,0]=4 75 B12R1.478 COC(C(=O)O)C1=CC=CC=C1 CS-W010811 [0,1,1,0,0,0|2,0,0]=4 76 B12R1.49 NNC(=O)CC1=CC=C(F)C=C1 CS-0039978 [0,1,1,0,0,0|2,0,0]=4 77 B12R1.49 O=C(CCl)NC1=CC=C(Br)C=C1 CS-0064109 [0,1,1,0,0,0|2,0,0]=4 78 B12R1.50 O=C(CCl)NC1=CC=CC(F)=C1 CS-B1389 [0,1,1,0,0,0|2,0,0]=4 79 B12R2.1 N#CC1=CNC2=CC=CC=C12 CS-W007588 [1,1,0,0,0,0|2,0,0]=4 80 B12R2.1 NCC1=CNC2=C1C=CC=C2 CS-D1572 [1,1,0,0,0,0|2,0,0]=4 81 B12R2.132 CC1=CNC2=C1C=C(F)C=C2 CS-0063939 [1,1,0,0,0,0|2,0,0]=4 82 B12R2.196 CN1C=CC2=C1C=CC=C2N CS-0061752 [1,1,0,0,0,0|2,0,0]=4 83 B12R2.196 CN1C=CC2=C1C=CC=C2O CS-0019305 [1,1,0,0,0,0|2,0,0]=4 84 B12R2.612 CN1C=NC2=C1C=CC(Br)=C2 CS-0036297 [1,1,0,0,0,0|1,0,1]=4 85 B12R2.32 ClCC1=NC2=CC=CC=C2N1 CS-M0360 [1,1,0,0,0,0|1,0,1]=4 86 B12R2.32 NCC1=NC2=CC=CC=C2N1 CS-W005436 [1,1,0,0,0,0|1,0,1]=4 87 B12R2.32 O=CC1=CC2=C(C=CN=C2)N1 CS-0058435 [1,1,0,0,0,0|2,0,0]=4 88 B12R2.32 O=CC1=CC2=CC=CC=C2N1 CS-W016366 [1,1,0,0,0,0|1,0,0]=3 89 B12R2.32 O=CC1=CC2=CC=CC=C2O1 CS-W004842 [1,1,0,0,0,0|2,0,0]=4 90 B12R2.32 O=CC1=CC2=CC=CC=C2S1 CS-W007442 [1,1,0,0,0,0|2,0,0]=4 91 B12R2.32 O=CC1=NC2=CC=CC=C2S1 CS-W013251 [1,1,0,0,0,0|1,0,1]=4 92 B12R2.202 CC1=C2N=C(Cl)NC2=CC=C1 CS-D0277 [1,1,0,0,0,0|1,0,1]=4 93 B12R2.202 CC1=CC=CC2=C1CC(=O)N2 CS-W022220 [1,1,0,0,0,0|1,0,0]=3 94 B12R2.202 CC1=NC2=C(Br)C=CC=C2N1 CS-D1563 [1,1,0,0,0,0|1,0,1]=4 95 B12R2.202 CC1=NC2=CC=CC(C)=C2N1 CS-0097070 [1,1,0,0,0,0|1,0,1]=4 96 B12R2.202 FC1=C2NC(=S)SC2=CC=C1 CS-0042730 [1,1,0,0,0,0|1,1,0]=4 97 B12R2.202 NC1=C2OC(=O)NC2=CC=C1 CS-0089315 [1,1,0,0,0,0|1,0,0]=3 98 B12R2.606 CC1=CC2=C(C=C(Cl)C=C2)N1 CS-W023086 [1,1,0,0,0,0|2,0,0]=4 99 B12R2.606 CC1=CC2=C(C=C1)NC(=O)C2 CS-0005465 [1,1,0,0,0,0|1,0,0]=3 100 B12R2.606 CC1=CC2=C(C=C1)NC(C)=C2 CS-W007733 [1,1,0,0,0,0|2,0,0]=4 101 B12R2.606 CC1=CC2=CC(O)=CC=C2N1 CS-W017747 [1,1,0,0,0,0|2,0,0]=4 102 B12R2.606 CC1=CC=C2NC(=O)NC2=C1 CS-0045386 [1,1,0,0,0,0|0,0,0]=2 103 B12R2.606 CC1=CC=C2OC(=S)NC2=C1 CS-W013240 [1,1,0,0,0,0|1,1,0]=4 104 B12R2.606 ClC1=NC2=CC=C(I)C=C2N1 CS-0039519 [1,1,0,0,0,0|1,0,1]=4 105 B12R2.606 FC1=CC2=C(C=C1)NC(=S)S2 CS-0043029 [1,1,0,0,0,0|1,1,0]=4 106 B12R2.606 FC1=CC=C2SC(=S)NC2=C1 CS-0040885 [1,1,0,0,0,0|1,1,0]=4 107 B12R2.606 NC1=CC2=C(C=C1)NC(=O)C2 CS-W010983 [1,1,0,0,0,0|1,0,0]=3 108 B12R2.606 O=C1CC2=C(C=C(F)C=C2)N1 CS-W019442 [1,1,0,0,0,0|1,0,0]=3 109 B12R2.606 O=C1CC2=CC=C(Br)C=C2C1 CS-W005800 [1,1,0,0,0,0|2,0,0]=4 110 B12R2.606 O=C1NC2=C(C=C(Cl)C=C2)S1 CS-0042609 [1,1,0,0,0,0|1,0,0]=3 111 B12R2.606 O=C1NC2=C(C=C(Cl)N=C2)N1 CS-WAA0039 [1,1,0,0,0,0|1,0,0]=3 112 B12R2.606 O=C1NC2=C(C=CC(Br)=C2)O1 CS-0042122 [1,1,0,0,0,0|1,0,0]=3 113 B12R2.606 O=C1NC2=CC(F)=CC=C2O1 CS-0038220 [1,1,0,0,0,0|1,0,0]=3 114 B12R2.606 O=C1NC2=CC=C(Br)C=C2S1 CS-W022468 [1,1,0,0,0,0|1,0,0]=3 115 B12R2.606 O=C1NC2=CC=C(Cl)N=C2N1 CS-D0025 [1,1,0,0,0,0|1,0,0]=3 116 B12R2.606 OC1=NC2=C(C=C(Br)C=C2)N1 CS-W005438 [1,1,0,0,0,0|0,0,2]=4 117 B12R2.606 S=C1NC2=CC=C(Br)C=C2N1 CS-0041867 [1,1,0,0,0,0|0,1,0]=3 118 B12R2.606 S=C1NC2=CC=C(Cl)C=C2O1 CS-0103312 [1,1,0,0,0,0|1,1,0]=4 119 B14R2.8188 CN1C(=O)C(Br)=CC2=CC=CC=C21 CS-W020422 [0,1,0,0,0,1|2,0,0]=4 120 B14R2.1146 COC1=CC(=O)OC2=CC=CC=C12 CS-0063208 [0,1,0,0,0,1|2,0,0]=4 121 B14R2.1146 O=C1C=C(CBr)C2=C(C=CC=C2)N1 CS-M3370 [0,1,0,0,0,1|2,0,0]=4 122 B14R2.8045 O=C1NC2=C(C=CC=C2Br)C(=O)O1 CS-0041519 [0,1,0,0,0,1|1,0,1]=4 123 B14R2.8235 O=C1C=C(O)C2=C(C=CC(Br)=C2)N1 CS-0041628 [0,1,0,0,0,1|1,0,0]=3 124 B14R2.8235 O=C1NC(=O)C2=C(C=CC(I)=C2)N1 CS-0060656 [0,1,0,0,0,1|1,0,1]=4 125 B14R2.8235 O=C1NC(=O)C2=CC(F)=CC=C2N1 CS-D0544 [0,1,0,0,0,1|1,0,1]=4 126 B14R2.8235 O=C1NC2=CC=C(Br)C=C2C(=O)O1 CS-W017781 [0,1,0,0,0,1|1,0,1]=4 127 B14R2.8235 O=C1NC2=CC=C(Cl)C=C2C(=O)O1 CS-W010558 [0,1,0,0,0,1|1,0,1]=4 128 B14R2.29365 O=C1C=C(O)C2=C(C=C(F)C=C2)O1 CS-0101671 [0,1,0,0,0,1|2,0,0]=4 129 B14R2.29365 O=C1NC2=CC(F)=CC=C2C(=O)O1 CS-0043077 [0,1,0,0,0,1|1,0,1]=4 130 B14R2.639 CC1(C)NC2=C(C=CC=C2)NC1=O CS-W023074 [0,1,0,0,0,1|2,0,0]=4 131 B14R2.450 CN1C(C(=O)O)=CC2=CC=CC=C21 CS-W007740 [0,2,0,0,0,0|2,0,0]=4 132 B14R2.4506 CC1=CC=C2NC(=O)C(=O)C2=C1Br CS-W022110 [0,2,0,0,0,0|1,0,1]=4 133 B14R2.9184 CC1=CC(C)=C2NC(=O)C(=O)C2=C1 CS-0037914 [0,2,0,0,0,0|1,0,1]=4 134 B14R2.11645 COC1=CC=CC2=C1NC(=O)C2=O CS-W005169 [0,2,0,0,0,0|1,0,1]=4 135 B14R2.27750 O=C1NC2=C(C1=O)C(Cl)=CC(Cl)=C2 CS-W022055 [0,2,0,0,0,0|1,0,1]=4 136 B12R2.24 O=C1C=NC2=CC=CC=C2N1 CS-W018235 [0,0,1,1,0,0|2,0,0]=4 137 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 CS-0046843 [0,0,1,1,0,0|2,0,0]=4 138 B12R2.24 O=C1COC2=CC=CC=C2O1 CS-0062232 [0,0,1,1,0,0|2,0,0]=4 139 B12R1.107 C[C@@H](NC(N)=O)C1=CC=CC=C1 CS-M0651 [0,0,1,0,0,1|2,0,0]=4 140 B12R1.107 C[C@H](NC(N)=O)C1=CC=CC=C1 CS-M0652 [0,0,1,0,0,1|2,0,0]=4 141 B12R1.27 NNC(=O)CCC1=CC=CC=C1 CS-0046856 [0,0,1,0,0,1|2,0,0]=4 142 B12R1.27 NNC(=O)OCC1=CC=CC=C1 CS-W016057 [0,0,1,0,0,1|2,0,0]=4 143 B12R1.27 O=C(CO)OCC1=CC=CC=C1 CS-W007485 [0,0,1,0,0,1|2,0,0]=4 144 B14R2.287 O=C1CCC(=O)C2=CC=CC=C2N1 CS-M3477 [0,0,0,0,0,2|1,0,1]=4