0 B13R2.369 BrC1=C(I)N=C2C=CC=CC2=C1 CS-0195046 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.369 CC1=CC2=CC=CC=C2C=C1C CS-0265372 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.369 CC1=NC2=CC=CC=C2NC1=S CS-0219146 [0,0,0,0,0,0|3,1,0]=4 3 B13R2.369 CN1CC2=CC=CC=C2NC1=O CS-0214854 [0,0,0,0,0,0|3,0,1]=4 4 B13R2.369 ClC1=C(Br)N=C2C=CC=CC2=C1 CS-0365311 [0,0,0,0,0,0|3,0,1]=4 5 B13R2.369 ClC1=C(I)C=C2C=CC=CC2=N1 CS-0155680 [0,0,0,0,0,0|3,0,1]=4 6 B13R2.369 ClC1=CC2=CC=CC=C2N=C1Cl CS-W021486 [0,0,0,0,0,0|3,0,1]=4 7 B13R2.369 ClC1=NC2=CC=CC=C2C=C1Br CS-0051485 [0,0,0,0,0,0|3,0,1]=4 8 B13R2.369 ClC1=NC2=CC=NC=C2N=C1Cl CS-0103606 [0,0,0,0,0,0|3,0,1]=4 9 B13R2.369 NC1CC2=C(C=CC=C2)NC1=O CS-0136604 [0,0,0,0,0,0|2,0,2]=4 10 B13R2.369 NC1CC2=C(C=CC=C2)NC1=O CS-0136619 [0,0,0,0,0,0|2,0,2]=4 11 B13R2.369 NC1CC2=C(C=CC=C2)NC1=O CS-0742364 [0,0,0,0,0,0|2,0,2]=4 12 B13R2.369 O=C1NC2=CC=CC=C2N=C1Cl CS-0051425 [0,0,0,0,0,0|3,0,0]=3 13 B13R2.369 O=C1NC2=CC=CC=C2OC1=O CS-0155891 [0,0,0,0,0,0|2,0,1]=3 14 B13R2.369 O=C1OC2=CC=CC=C2C=C1Cl CS-0319102 [0,0,0,0,0,0|3,0,0]=3 15 B13R2.369 OC1=C(O)C=C2CCN=CC2=C1 CS-0452661 [0,0,0,0,0,0|1,0,3]=4 16 B13R2.369 OC1=CC2=C(C=CC=C2)N=C1Cl CS-W021676 [0,0,0,0,0,0|2,0,1]=3 17 B13R2.369 S=C1NC2=CC=CC=C2NC1=S CS-0214713 [0,0,0,0,0,0|2,2,0]=4 18 B12R2.24 ClC1=NC2=CC=NC=C2C=C1 CS-0099325 [1,0,0,0,0,0|1,0,1]=3 19 B12R2.24 NC1=CC=C2C=NC=NC2=C1 CS-W022948 [1,0,0,0,0,0|3,0,0]=4 20 B12R2.24 NC1=CC=C2N=CN=CC2=C1 CS-0085120 [1,0,0,0,0,0|3,0,0]=4 21 B12R2.24 O=C1C=C2C=CC=CC2=CN1 CS-W018251 [1,0,0,0,0,0|3,0,0]=4 22 B12R2.24 O=C1CCC2=CN=CC=C2N1 CS-0052760 [1,0,0,0,0,0|0,0,2]=3 23 B12R2.24 OC1=CC2=C(C=CC=C2)C=N1 CS-0166779 [1,0,0,0,0,0|3,0,0]=4 24 B12R2.24 OC1=CC2=C(C=CN=C2)C=C1 CS-0939825 [1,0,0,0,0,0|1,0,0]=2 25 B14R2.1128 COC1=C(C)C=C2C=CC=CC2=C1 CS-0211918 [0,1,0,0,0,0|3,0,0]=4 26 B14R2.1128 COC1=C(O)C=C2C=NC=CC2=C1 CS-0232612 [0,1,0,0,0,0|1,0,1]=3 27 B14R2.1128 COC1=NC2=CC=CC=C2C=C1O CS-0512422 [0,1,0,0,0,0|1,0,2]=4 28 B14R2.1128 N#CC1=CC2=C(C=CC=C2)NC1=O CS-0216519 [0,1,0,0,0,0|2,0,0]=3 29 B14R2.1128 N#CC1=CC2=CC=CC=C2NC1=N CS-0156002 [0,1,0,0,0,0|3,0,0]=4 30 B14R2.1128 NC1=CC2=C(C=CC=C2)C=C1CO CS-0514576 [0,1,0,0,0,0|3,0,0]=4 31 B14R2.1128 O=C1NC2=C(C=CC=C2)C=C1CO CS-0155679 [0,1,0,0,0,0|1,0,0]=2 32 B14R2.1128 O=C1NC2=C(C=CC=C2)NC1CO CS-0257849 [0,1,0,0,0,0|2,0,1]=4 33 B14R2.1128 O=C1NC2=CC=CC=C2N\C1=N\O CS-0252375 [0,1,0,0,0,0|2,0,0]=3 34 B14R2.1128 O=C1OC2=CC=CC=C2N\C1=N\O CS-0252486 [0,1,0,0,0,0|3,0,0]=4 35 B14R2.1128 OCC1=C(O)C=C2C=CC=CC2=C1 CS-0517285 [0,1,0,0,0,0|2,0,1]=4 36 B14R2.8188 CC1=C(F)C(=O)NC2=C1C=CC=C2 CS-0216010 [0,1,0,0,0,0|2,0,0]=3 37 B14R2.8188 CC1=C(O)C(=O)C2=CC=CC=C2N1 CS-0186828 [0,1,0,0,0,0|2,0,0]=3 38 B14R2.8188 CC1=C(O)C2=C(C=CC=C2)NC1=O CS-0153474 [0,1,0,0,0,0|2,0,0]=3 39 B14R2.8188 CC1=NC2=CC=CC=C2C(Br)=C1O CS-0444486 [0,1,0,0,0,0|2,0,1]=4 40 B14R2.8188 CN1C(=O)NC2=CC=CC=C2C1=O CS-0212974 [0,1,0,0,0,0|3,0,0]=4 41 B14R2.8188 NN1C(=O)NC2=C(C=CC=C2)C1=O CS-0220142 [0,1,0,0,0,0|3,0,0]=4 42 B14R2.8188 O=C1CC2=CC=CC=C2C(=O)N1O CS-0155929 [0,1,0,0,0,0|3,0,0]=4 43 B14R2.8188 O=C1NC2=CC=CC=C2C(O)=C1Br CS-0535233 [0,1,0,0,0,0|2,0,0]=3 44 B14R2.8188 O=C1OC2=CC=CC=C2C(O)=C1Br CS-0262168 [0,1,0,0,0,0|3,0,0]=4 45 B14R2.8239 CC1=NC2=C(C=C(Br)C=C2)NC1=O CS-0207832 [0,1,0,0,0,0|3,0,0]=4 46 B14R2.8239 NC1=CC2=CC(O)=CC=C2OC1=O CS-0698107 [0,1,0,0,0,0|3,0,0]=4 47 B12R1.43 C=C(C)C(=O)OC1=CC=CC=C1 CS-W017929 [0,0,1,0,0,0|3,0,0]=4 48 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O CS-0076998 [0,0,1,0,0,0|3,0,0]=4 49 B12R1.43 O=C(O)\C(Cl)=C\C1=CC=CC=C1 CS-0212705 [0,0,1,0,0,0|3,0,0]=4 50 B12R1.371 C=CC(=O)NC1=CC=CC=C1C CS-0264165 [0,0,1,0,0,0|2,0,1]=4 51 B12R1.371 C=CC(=O)NC1=CC=CC=C1F CS-0245051 [0,0,1,0,0,0|3,0,0]=4 52 B12R2.18 CC1=C(Br)C2=CC=CC=C2N1 CS-0216425 [0,0,0,0,1,0|3,0,0]=4 53 B12R2.18 CN1C(O)=CC2=CC=CC=C21 CS-0151119 [0,0,0,0,1,0|3,0,0]=4 54 B12R2.18 NC1C(=O)NC2=C1C=CC=C2 CS-0111958 [0,0,0,0,1,0|2,0,1]=4 55 B12R2.100 OC1=C(Br)C=C2C=NNC2=C1 CS-0188047 [0,0,0,0,1,0|3,0,0]=4 56 B12R2.100 OC1=C(Cl)C=C2NN=CC2=C1 CS-0050240 [0,0,0,0,1,0|3,0,0]=4 57 B14R2.738 O=C1CC(=O)NC2=CC=CC=C2N1 CS-0133101 [0,0,0,0,0,1|2,0,1]=4 58 B11R1.40 C(C1=CC=CC=C1)=C(\Cl)C=O CS-W016053 [1,0,1,0,0,0|2,0,0]=4 59 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 CS-0077009 [1,0,1,0,0,0|2,0,0]=4 60 B11R1.40 O=C(CCl)NC1=CC=NC=C1 CS-0259605 [1,0,1,0,0,0|1,0,1]=4 61 B11R1.91 NC(=O)NCC1=CN=CC=C1 CS-0216349 [1,0,1,0,0,0|1,0,1]=4 62 B11R1.91 O=N(=O)\C=C\C1=CC=CN=C1 CS-0936347 [1,0,1,0,0,0|2,0,0]=4 63 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CN=C1 CS-0887164 [1,0,1,0,0,0|2,0,0]=4 64 B11R1.91 O=[N+]([O-])\C=C\C1=CN=CC=C1 CS-0206372 [1,0,1,0,0,0|2,0,0]=4 65 B11R1.17 O=C\C=C\C1=C(O)C=CC=C1 CS-0023368 [1,0,1,0,0,0|2,0,0]=4 66 B11R1.17 O=C\C=C\C1=CC=CC=C1Br CS-0088516 [1,0,1,0,0,0|2,0,0]=4 67 B11R1.17 O=C\C=C\C1=CC=CC=C1Cl CS-0196733 [1,0,1,0,0,0|2,0,0]=4 68 B11R1.17 O=C\C=C\C1=CC=CC=C1F CS-0318507 [1,0,1,0,0,0|2,0,0]=4 69 B11R2.20 C1=CC=C2N=CC=CC2=C1 CS-W016072 [2,0,0,0,0,0|1,0,1]=4 70 B11R2.20 C1=CC=C2N=NC=CC2=C1 CS-0155964 [2,0,0,0,0,0|2,0,0]=4 71 B13R1.133 C=C(C)C(=O)NC1=CC=C(O)C=C1 CS-0167921 [0,1,1,0,0,0|2,0,0]=4 72 B13R1.133 O=C(O)C(=O)NC1=CC=C(Cl)C=C1 CS-0233412 [0,1,1,0,0,0|2,0,0]=4 73 B13R1.202 CC1=C(NC(=O)C(=O)O)C=CC=C1 CS-0742012 [0,1,1,0,0,0|2,0,0]=4 74 B13R1.202 O=C(O)C(=O)NC1=C(O)C=CC=C1 CS-0715269 [0,1,1,0,0,0|2,0,0]=4 75 B13R1.202 O=C(O)C(=O)NC1=CC=CC=C1Cl CS-0671897 [0,1,1,0,0,0|2,0,0]=4 76 B13R1.202 O=C(O)C(=O)NC1=CC=CC=C1F CS-0197452 [0,1,1,0,0,0|2,0,0]=4 77 B13R2.32 CC1=CC=C2C=CN=CC2=C1F CS-0902221 [1,1,0,0,0,0|2,0,0]=4 78 B13R2.32 NC1=C(O)C=CC2=CC=CC=C21 CS-0661716 [1,1,0,0,0,0|2,0,0]=4 79 B13R2.32 NC1=C(O)C=CC2=CC=CC=C21 CS-W010609 [1,1,0,0,0,0|2,0,0]=4 80 B13R2.32 O=C1C=CC2=CC=CC=C2C1=O CS-W016207 [1,1,0,0,0,0|2,0,0]=4 81 B13R2.32 OC1=CC=C2C=CC=CC2=C1O CS-0095240 [1,1,0,0,0,0|2,0,0]=4 82 B13R2.155 CC1=CC2=CC(Br)=CC=C2C=N1 CS-0442667 [1,1,0,0,0,0|2,0,0]=4 83 B13R2.155 NC1=CC2=C(C=C1)N=CC(=O)N2 CS-0160508 [1,1,0,0,0,0|2,0,0]=4 84 B13R2.155 NC1=CC2=C(C=CC(=O)O2)C=C1 CS-0448957 [1,1,0,0,0,0|2,0,0]=4 85 B13R2.155 O=C1C=CC2=CC=C(F)C=C2N1 CS-0050033 [1,1,0,0,0,0|1,0,0]=3 86 B13R2.155 O=C1C=NC2=C(C=C(Cl)C=C2)N1 CS-0171485 [1,1,0,0,0,0|2,0,0]=4 87 B13R2.162 CC1=CC2=C(C=CN=C2Cl)C=C1 CS-0136584 [1,1,0,0,0,0|2,0,0]=4 88 B13R2.162 CC1=CC2=C(C=CN=C2O)C=C1 CS-0130466 [1,1,0,0,0,0|2,0,0]=4 89 B13R2.162 O=C1C=CC2=C(O1)C(Br)=CC=C2 CS-0041954 [1,1,0,0,0,0|2,0,0]=4 90 B13R2.162 OC1=CC2=C(C=CC=C2I)C=C1 CS-0342100 [1,1,0,0,0,0|2,0,0]=4 91 B13R2.162 OC1=CC2=C(C=CC=C2O)C=C1 CS-0155784 [1,1,0,0,0,0|2,0,0]=4 92 B13R2.162 OC1=CC2=C(C=CN=C2Cl)C=C1 CS-0042597 [1,1,0,0,0,0|1,0,0]=3 93 B13R2.162 OC1=NC2=C(C=C1)C=NC=C2Br CS-0461424 [1,1,0,0,0,0|0,0,2]=4 94 B13R2.328 NC1=CC(=O)NC2=CC=CC=C12 CS-W019107 [1,1,0,0,0,0|1,0,0]=3 95 B13R2.328 NC1=NC(=O)NC2=C1C=CC=C2 CS-0532558 [1,1,0,0,0,0|2,0,0]=4 96 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)N1 CS-0205952 [1,1,0,0,0,0|1,0,0]=3 97 B13R2.328 O=C1C=C(O)C2=C(N=CC=C2)N1 CS-0029741 [1,1,0,0,0,0|2,0,0]=4 98 B13R2.328 O=C1C=C(O)C2=CC=NC=C2N1 CS-0155570 [1,1,0,0,0,0|2,0,0]=4 99 B13R2.328 O=C1CC(=O)C2=C(C=CC=C2)N1 CS-0104588 [1,1,0,0,0,0|1,0,1]=4 100 B13R2.328 O=C1NC(=O)C2=C(C=NN=C2)N1 CS-0099194 [1,1,0,0,0,0|2,0,0]=4 101 B13R2.3683 CC1=CC2=CC=C(O)C=C2C=N1 CS-0061350 [1,1,0,0,0,0|1,0,0]=3 102 B13R2.3683 CC1=CC=C2NC(=O)C=CC2=N1 CS-0720279 [1,1,0,0,0,0|2,0,0]=4 103 B13R2.3683 N=C1C=CC2=CC(F)=CC=C2N1 CS-0043872 [1,1,0,0,0,0|2,0,0]=4 104 B13R2.3683 NC1=CC2=C(C=C1)NC(=O)C=N2 CS-0043886 [1,1,0,0,0,0|2,0,0]=4 105 B13R2.3683 NC1=CC=C2C=C(O)C=CC2=C1 CS-0234264 [1,1,0,0,0,0|2,0,0]=4 106 B13R2.3683 NC1=CC=C2OC(=O)C=CC2=C1 CS-0206761 [1,1,0,0,0,0|2,0,0]=4 107 B13R2.3683 O=C1C=CC2=C(C=CC(Cl)=C2)O1 CS-0145276 [1,1,0,0,0,0|2,0,0]=4 108 B13R2.3683 O=C1C=CC2=C(C=CC(Cl)=C2)[N-]1 CS-0211170 [1,1,0,0,0,0|1,0,1]=4 109 B13R2.3683 O=C1C=NC2=CC(Cl)=CC=C2N1 CS-0042724 [1,1,0,0,0,0|2,0,0]=4 110 B13R2.3683 OC1=CC=C2C=C(O)C=CC2=C1 CS-0059281 [1,1,0,0,0,0|2,0,0]=4 111 B13R2.5179 CC1=NC=CC2=NC(Cl)=CC=C12 CS-0318542 [1,1,0,0,0,0|1,0,1]=4 112 B13R2.5179 N=C1C=CC2=C(Cl)C=CC=C2N1 CS-W006468 [1,1,0,0,0,0|2,0,0]=4 113 B13R2.5179 O=C1C=CC2=C(C=CC=C2Cl)N1 CS-0660462 [1,1,0,0,0,0|1,0,0]=3 114 B13R2.5179 O=C1C=CC2=C(N=CC=C2O)N1 CS-0565649 [1,1,0,0,0,0|2,0,0]=4 115 B13R2.5179 OC1=CC=C2C(Br)=NC=CC2=N1 CS-0335517 [1,1,0,0,0,0|0,0,2]=4 116 B13R2.45 O=C1C2=CC=CC=C2C\C1=N\O CS-0236575 [0,1,0,0,1,0|1,0,1]=4 117 B13R2.135 O=C1NC2=C(C=CC=C2)\C1=C\O CS-0668911 [0,1,0,0,1,0|1,0,0]=3 118 B13R2.359 CC1(O)C(=O)NC2=CC=CC=C21 CS-0480097 [0,1,0,0,1,0|1,0,1]=4 119 B13R2.3028 NC1=CC=C2NC(=O)C(=O)C2=C1 CS-0139774 [0,1,0,0,1,0|1,0,1]=4 120 B13R2.3028 O=C1NC2=C(C=C(Br)C=C2)C1O CS-0247850 [0,1,0,0,1,0|1,0,1]=4 121 B13R2.3028 O=C1NC2=C(C=C(F)C=C2)C1O CS-0258111 [0,1,0,0,1,0|1,0,1]=4 122 B13R2.4825 O=C1NC2=C(C=CC=C2I)C1=O CS-0060628 [0,1,0,0,1,0|1,0,1]=4 123 B13R2.5190 CC1=CC2=C(C=C1)C(=O)C(=O)N2 CS-0137579 [0,1,0,0,1,0|1,0,1]=4 124 B13R2.5190 O=C1NC2=C(C=CC(F)=C2)C1O CS-0257125 [0,1,0,0,1,0|1,0,1]=4 125 B13R2.5190 O=C1NC2=C(C=CC(O)=C2)C1=O CS-0137578 [0,1,0,0,1,0|1,0,1]=4 126 B15R2.984 O=C(O)C1=CC2=C(N=CC=C2)NC1=O CS-0072045 [0,2,0,0,0,0|2,0,0]=4 127 B15R2.984 O=C(O)C1=NC2=CC=CC=C2NC1=O CS-W015904 [0,2,0,0,0,0|2,0,0]=4 128 B15R2.984 O=C([O-])C1=C(O)C=C2C=CC=CC2=C1 CS-0314265 [0,2,0,0,0,0|2,0,0]=4 129 B15R2.1754 CC1=CC2=C(C=C1)C=C(C=O)C(=O)N2 CS-0038794 [0,2,0,0,0,0|1,0,1]=4 130 B15R2.63893 CC1=CC2=CC(N)=CC=C2N(C)C1=O CS-0446101 [0,2,0,0,0,0|2,0,0]=4 131 B13R2.435 N=C(N)C1=CC2=CC=CC=C2O1 CS-0263074 [0,0,1,1,0,0|2,0,0]=4 132 B13R2.435 NC(=O)C1=CC2=C(C=CN=C2)N1 CS-0673194 [0,0,1,1,0,0|1,0,0]=3 133 B13R2.435 NC(=O)C1=CC2=C(N=CC=C2)N1 CS-0052498 [0,0,1,1,0,0|1,0,0]=3 134 B11R1.36 NC(=O)[C@@H](O)C1=CC=CC=C1 CS-W013296 [0,0,1,0,1,0|1,0,1]=4 135 B11R2.1 CC1=NNC2=CC=NC=C21 CS-0051271 [1,0,0,0,1,0|2,0,0]=4 136 B11R2.1 ClC1=CC=C2C=NC=CN12 CS-1019594 [1,0,0,0,1,0|2,0,0]=4 137 B11R2.1 NC1=CNC2=C1C=NC=C2 CS-0141584 [1,0,0,0,1,0|1,0,0]=3 138 B11R2.1 NC1=CNC2=CN=CC=C12 CS-0092062 [1,0,0,0,1,0|2,0,0]=4 139 B11R2.1 NC1=CSC2=CN=CC=C12 CS-0454478 [1,0,0,0,1,0|2,0,0]=4 140 B11R2.1 O=C1NNC2=C1C=CN=C2 CS-W021333 [1,0,0,0,1,0|2,0,0]=4 141 B11R2.1 O=C1OCC2=CN=CC=C12 CS-0452810 [1,0,0,0,1,0|1,0,1]=4 142 B11R2.1 OC1=CSC2=CC=CC=C12 CS-0453212 [1,0,0,0,1,0|2,0,0]=4 143 B11R2.10 BrC1=CC2=C(C=CN=C2)S1 CS-D0448 [1,0,0,0,1,0|2,0,0]=4 144 B11R2.10 CC1=CC2=CC=NC=C2N1 CS-0051883 [1,0,0,0,1,0|2,0,0]=4 145 B11R2.10 IC1=CC2=C(C=CN=C2)N1 CS-0155571 [1,0,0,0,1,0|1,0,0]=3 146 B11R2.10 O=C1CC2=C(C=NC=C2)N1 CS-0053812 [1,0,0,0,1,0|2,0,0]=4 147 B11R2.10 O=C1CC2=CN=CC=C2N1 CS-0052558 [1,0,0,0,1,0|0,0,1]=3 148 B11R2.10 O=C1CC2=CN=CN=C2N1 CS-0045889 [1,0,0,0,1,0|1,0,1]=4 149 B11R2.36 O=C1C=CN2N=CC=C2[N-]1 CS-0185462 [1,0,0,0,1,0|1,0,1]=4 150 B11R2.36 OC1=CC2=C(C=C1)NC=N2 CS-0205469 [1,0,0,0,1,0|2,0,0]=4 151 B11R2.36 OC1=CC=C2SC=NC2=C1 CS-D0782 [1,0,0,0,1,0|2,0,0]=4 152 B11R2.36 OC1=CN=C2NN=CC2=C1 CS-0833415 [1,0,0,0,1,0|1,0,1]=4