0 B14R2.203 C(=O)C1=C(O)C=CC2=CC=CC=C21 AC-5786 [0,0,0,0,0,0|1,0,1]=2 1 B14R2.203 O=NC1=C(O)C=CC2=CC=CC=C21 AC-18344 [0,0,0,0,0,0|2,0,0]=2 2 B14R2.203 OCC1=C(O)C=CC2=CC=CC=C21 AC-12206 [0,0,0,0,0,0|1,0,0]=1 3 B13R2.32 BrC1=NC=C2C=CC=CC2=C1Br AC-28298 [1,0,0,0,0,0|3,0,0]=4 4 B13R2.32 CC1=C(F)C2=CC=CC=C2C=C1 AC-17619 [1,0,0,0,0,0|2,0,0]=3 5 B13R2.32 CC1=CC=C2C=CC=CC2=C1Br AC-27865 [1,0,0,0,0,0|2,0,0]=3 6 B13R2.32 FC1=C(Br)C=CC2=CC=CC=C21 AC-2362 [1,0,0,0,0,0|2,0,0]=3 7 B13R2.32 NC1=C(Br)C2=CC=CC=C2C=N1 AC-28299 [1,0,0,0,0,0|3,0,0]=4 8 B13R2.32 NC1=C(Br)C=CC2=CC=CC=C21 AC-27919 [1,0,0,0,0,0|1,0,0]=2 9 B13R2.32 NC1=C(Br)C=NC2=CC=CC=C21 AC-23724 [1,0,0,0,0,0|2,0,0]=3 10 B13R2.32 NC1=C2C=CC=CC2=CC=C1O AC-10612 [1,0,0,0,0,0|0,0,0]=1 11 B13R2.32 O=C1C=CC2=CC=CC=C2C1=O AC-15181 [1,0,0,0,0,0|1,0,1]=3 12 B13R2.32 OC1=C(Br)C2=CC=CC=C2C=C1 AC-22890 [1,0,0,0,0,0|1,0,0]=2 13 B13R2.32 OC1=C(Br)C2=CC=CC=C2C=N1 AC-28295 [1,0,0,0,0,0|2,0,0]=3 14 B13R2.32 OC1=C2C=CC=CC2=CC=C1Br AC-25812 [1,0,0,0,0,0|2,0,0]=3 15 B13R2.32 OC1=CC=C2C=CC=NC2=C1Br AC-9605 [1,0,0,0,0,0|2,0,0]=3 16 B13R2.1613 BrCC1=CC=CC2=CC=CC=C21 AC-5792 [1,0,0,0,0,0|1,0,0]=2 17 B13R2.1613 BrCC1=CC=CC2=CC=CN=C21 AC-22536 [1,0,0,0,0,0|2,0,0]=3 18 B13R2.1613 C(=O)C1=CN=CC2=CC=CC=C21 AC-2842 [1,0,0,0,0,0|2,0,1]=4 19 B13R2.1613 COC1=C2C=NC=CC2=CC=C1 AC-9602 [1,0,0,0,0,0|3,0,0]=4 20 B13R2.1613 COC1=CC=CC2=CC=CC=C21 AC-23677 [1,0,0,0,0,0|2,0,0]=3 21 B13R2.1613 COC1=CC=NC2=CC=CC=C21 AC-574 [1,0,0,0,0,0|3,0,0]=4 22 B13R2.1613 ClCC1=CC=CC2=CC=CC=C21 AC-5784 [1,0,0,0,0,0|1,0,0]=2 23 B13R2.1613 N#CC1=C2C=CC=CC2=CN=C1 AC-7690 [1,0,0,0,0,0|1,0,2]=4 24 B13R2.1613 N#CC1=CC=CC2=CC=CC=C12 AC-5793 [1,0,0,0,0,0|0,0,2]=3 25 B13R2.1613 N#CC1=CC=CC2=CN=CC=C12 AC-7913 [1,0,0,0,0,0|1,0,2]=4 26 B13R2.1613 N#CC1=CC=NC2=C1C=CC=C2 AC-28312 [1,0,0,0,0,0|1,0,2]=4 27 B13R2.1613 NCC1=CC=CC2=CC=CC=C21 AC-13039 [1,0,0,0,0,0|0,0,0]=1 28 B13R2.1613 NNC1=NN=CC2=CC=CC=C21 AC-18050 [1,0,0,0,0,0|3,0,0]=4 29 B13R2.1613 O=CC1=C2C=CC=CC2=CC=N1 AC-29675 [1,0,0,0,0,0|2,0,1]=4 30 B13R2.1613 O=CC1=C2C=CC=NC2=CC=C1 AC-2553 [1,0,0,0,0,0|2,0,1]=4 31 B13R2.1613 O=CC1=C2C=CN=CC2=CC=C1 AC-28076 [1,0,0,0,0,0|2,0,1]=4 32 B13R2.1613 O=CC1=C2N=CC=CC2=CC=C1 AC-2609 [1,0,0,0,0,0|2,0,1]=4 33 B13R2.1613 O=CC1=CC=CC2=CC=CC=C12 AC-5796 [1,0,0,0,0,0|1,0,1]=3 34 B13R2.1613 O=CC1=CC=NC2=CC=CC=C12 AC-22343 [1,0,0,0,0,0|2,0,1]=4 35 B13R2.1613 OCC1=C2C=CC=CC2=CC=C1 AC-5790 [1,0,0,0,0,0|1,0,0]=2 36 B15R2.1162 O=C(O)C1=C2C=CC=CC2=CC=C1O AC-24993 [0,1,0,0,0,0|1,0,1]=3 37 B13R1.575 COC1=CC(\C=C\C=O)=CC=C1O AC-34773 [0,0,1,0,0,0|3,0,0]=4 38 B13R2.135 CC1=C(CCl)C2=C(C=CC=C2)S1 AC-12338 [0,0,0,0,1,0|3,0,0]=4 39 B12R2.24 BrC1=CC2=CC=CC=C2C=C1 AC-3107 [2,0,0,0,0,0|1,0,0]=3 40 B12R2.24 BrC1=CC2=CC=CC=C2N=C1 AC-2815 [2,0,0,0,0,0|2,0,0]=4 41 B12R2.24 BrC1=CC=C2C=CC=NC2=C1 AC-1472 [2,0,0,0,0,0|2,0,0]=4 42 B12R2.24 BrC1=CC=C2C=NC=CC2=C1 AC-3304 [2,0,0,0,0,0|2,0,0]=4 43 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 AC-3293 [2,0,0,0,0,0|2,0,0]=4 44 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 AC-6956 [2,0,0,0,0,0|2,0,0]=4 45 B12R2.24 BrC1=NC=C2C=CC=CC2=C1 AC-28297 [2,0,0,0,0,0|2,0,0]=4 46 B12R2.24 CC1=CC2=CC=CC=C2C=C1 AC-615 [2,0,0,0,0,0|1,0,0]=3 47 B12R2.24 CC1=CC2=CC=CC=C2N=C1 AC-27345 [2,0,0,0,0,0|2,0,0]=4 48 B12R2.24 CC1=CC=C2C=NC=CC2=C1 AC-3170 [2,0,0,0,0,0|2,0,0]=4 49 B12R2.24 CC1=CC=C2N=CC=CC2=C1 AC-5219 [2,0,0,0,0,0|2,0,0]=4 50 B12R2.24 ClC1=CC2=CC=CC=C2C=C1 AC-13048 [2,0,0,0,0,0|1,0,0]=3 51 B12R2.24 ClC1=CC2=CC=CC=C2C=N1 AC-23204 [2,0,0,0,0,0|2,0,0]=4 52 B12R2.24 ClC1=CC2=NC=CC=C2C=C1 AC-6212 [2,0,0,0,0,0|2,0,0]=4 53 B12R2.24 ClC1=CC=C2N=CC=CC2=C1 AC-5982 [2,0,0,0,0,0|2,0,0]=4 54 B12R2.24 ClC1=NC2=C(C=CC=C2)C=C1 AC-2439 [2,0,0,0,0,0|2,0,0]=4 55 B12R2.24 FC1=CC=C2N=CC=CC2=C1 AC-3296 [2,0,0,0,0,0|2,0,0]=4 56 B12R2.24 NC1=CC2=CC=CC=C2C=N1 AC-26693 [2,0,0,0,0,0|2,0,0]=4 57 B12R2.24 NC1=CC2=CC=CC=C2N=C1 AC-15004 [2,0,0,0,0,0|2,0,0]=4 58 B12R2.24 NC1=CC=C2C=NC=CC2=C1 AC-5990 [2,0,0,0,0,0|2,0,0]=4 59 B12R2.24 NC1=CC=C2N=CC=CC2=C1 AC-4708 [2,0,0,0,0,0|2,0,0]=4 60 B12R2.24 NC1=NC2=CC=CC=C2C=C1 AC-13271 [2,0,0,0,0,0|2,0,0]=4 61 B12R2.24 O=C1C=CC2=C(C=CC=C2)N1 AC-3056 [2,0,0,0,0,0|1,0,1]=4 62 B12R2.24 OC1=CC2=C(C=CC=C2)C=C1 AC-10464 [2,0,0,0,0,0|0,0,0]=2 63 B12R2.24 OC1=CC2=C(C=CN=C2)C=C1 AC-9567 [2,0,0,0,0,0|1,0,0]=3 64 B12R2.24 OC1=CC2=CC=CC=C2C=N1 AC-7300 [2,0,0,0,0,0|1,0,0]=3 65 B12R2.24 OC1=CC2=CC=CC=C2N=C1 AC-22551 [2,0,0,0,0,0|1,0,0]=3 66 B12R2.24 OC1=CC=C2C=CC=NC2=C1 AC-1414 [2,0,0,0,0,0|1,0,0]=3 67 B12R2.24 OC1=CC=C2N=CC=CC2=C1 AC-5108 [2,0,0,0,0,0|1,0,0]=3 68 B12R2.24 OC1=NC2=CC=CC=C2N=C1 AC-23582 [2,0,0,0,0,0|2,0,0]=4 69 B12R2.1081 BrC1=C2C=CC=NC2=CC=C1 AC-1259 [2,0,0,0,0,0|2,0,0]=4 70 B12R2.1081 BrC1=C2C=NC=CC2=CC=C1 AC-1503 [2,0,0,0,0,0|2,0,0]=4 71 B12R2.1081 BrC1=C2N=CC=CC2=CC=C1 AC-1231 [2,0,0,0,0,0|2,0,0]=4 72 B12R2.1081 BrC1=CC=CC2=CN=CC=C12 AC-2582 [2,0,0,0,0,0|2,0,0]=4 73 B12R2.1081 BrC1=CC=NC2=CC=CC=C12 AC-7496 [2,0,0,0,0,0|2,0,0]=4 74 B12R2.1081 BrC1=CN=CC2=CC=CC=C12 AC-2847 [2,0,0,0,0,0|2,0,0]=4 75 B12R2.1081 BrC1=NC=CC2=CC=CC=C21 AC-1444 [2,0,0,0,0,0|2,0,0]=4 76 B12R2.1081 CC1=C2N=CC=CC2=CC=C1 AC-5093 [2,0,0,0,0,0|1,0,0]=3 77 B12R2.1081 ClC1=CC=NC2=CC=CC=C12 AC-23128 [2,0,0,0,0,0|2,0,0]=4 78 B12R2.1081 ClC1=CN=CC2=CC=CC=C12 AC-23135 [2,0,0,0,0,0|2,0,0]=4 79 B12R2.1081 ClC1=NC=CC2=CC=CC=C21 AC-23203 [2,0,0,0,0,0|2,0,0]=4 80 B12R2.1081 FC1=C2N=CC=CC2=CC=C1 AC-3295 [2,0,0,0,0,0|2,0,0]=4 81 B12R2.1081 FC1=CC=CC2=CC=CC=C12 AC-31039 [2,0,0,0,0,0|1,0,0]=3 82 B12R2.1081 IC1=CC=NC2=CC=CC=C12 AC-25798 [2,0,0,0,0,0|2,0,0]=4 83 B12R2.1081 NC1=C2C=CC=CC2=NC=N1 AC-9148 [2,0,0,0,0,0|2,0,0]=4 84 B12R2.1081 NC1=C2C=CN=CC2=CC=C1 AC-7303 [2,0,0,0,0,0|1,0,0]=3 85 B12R2.1081 NC1=CC=CC2=C1N=CC=C2 AC-10209 [2,0,0,0,0,0|1,0,0]=3 86 B12R2.1081 NC1=CC=CC2=CC=CC=C12 AC-10635 [2,0,0,0,0,0|0,0,0]=2 87 B12R2.1081 NC1=CC=CC2=CC=NC=C12 AC-9389 [2,0,0,0,0,0|1,0,0]=3 88 B12R2.1081 NC1=CC=CC2=CN=CN=C12 AC-17656 [2,0,0,0,0,0|2,0,0]=4 89 B12R2.1081 NC1=CC=CC2=CN=NC=C12 AC-17657 [2,0,0,0,0,0|2,0,0]=4 90 B12R2.1081 NC1=CC=CC2=NC=CC=C12 AC-2879 [2,0,0,0,0,0|1,0,0]=3 91 B12R2.1081 NC1=CC=CC2=NC=CN=C12 AC-17658 [2,0,0,0,0,0|2,0,0]=4 92 B12R2.1081 NC1=CC=NC2=CC=CC=C12 AC-1256 [2,0,0,0,0,0|1,0,0]=3 93 B12R2.1081 NC1=CC=NC2=CC=CN=C12 AC-857 [2,0,0,0,0,0|2,0,0]=4 94 B12R2.1081 NC1=CN=CC2=CC=CC=C12 AC-24179 [2,0,0,0,0,0|1,0,0]=3 95 B12R2.1081 NC1=CN=NC2=CC=CC=C12 AC-27098 [2,0,0,0,0,0|2,0,0]=4 96 B12R2.1081 NC1=NC=CC2=C1N=CC=C2 AC-26740 [2,0,0,0,0,0|2,0,0]=4 97 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 AC-14590 [2,0,0,0,0,0|2,0,0]=4 98 B12R2.1081 OC1=CC=CC2=CC=CN=C12 AC-19824 [2,0,0,0,0,0|2,0,0]=4 99 B12R2.1081 OC1=CC=CC2=CC=CN=C12 AC-5109 [2,0,0,0,0,0|2,0,0]=4 100 B12R2.1081 OC1=CC=CC2=NC=CC=C12 AC-5221 [2,0,0,0,0,0|2,0,0]=4 101 B12R2.1081 OC1=CC=NC2=CC=CC=C12 AC-516 [2,0,0,0,0,0|2,0,0]=4 102 B12R2.1081 OC1=NC=CC2=CC=CC=C21 AC-3150 [2,0,0,0,0,0|2,0,0]=4 103 B12R2.1081 [O-]C1=C2N=CC=CC2=CC=C1 AC-7832 [2,0,0,0,0,0|2,0,0]=4 104 B14R2.92 BrCC1=C(Br)C2=CC=CC=C2C=C1 AC-27922 [1,1,0,0,0,0|2,0,0]=4 105 B14R2.92 COC1=CC=C2C=CC=NC2=C1Br AC-9603 [1,1,0,0,0,0|2,0,0]=4 106 B14R2.92 N#CC1=C(N)C2=CC=CC=C2C=C1 AC-29955 [1,1,0,0,0,0|1,0,0]=3 107 B14R2.92 O=CC1=C(Br)C2=CC=CC=C2C=C1 AC-27834 [1,1,0,0,0,0|1,0,1]=4 108 B14R2.92 O=CC1=C(Cl)C2=CC=CC=C2C=C1 AC-17627 [1,1,0,0,0,0|1,0,1]=4 109 B14R2.92 O=CC1=C(F)C2=CC=CC=C2C=C1 AC-17626 [1,1,0,0,0,0|1,0,1]=4 110 B14R2.92 O=NC1=C(O)C2=CC=CC=C2C=C1 AC-18345 [1,1,0,0,0,0|1,0,1]=4 111 B14R2.7724 CC1=CC(=O)C2=C(C=CC=C2)C1=O AC-34841 [1,1,0,0,0,0|2,0,0]=4 112 B14R2.7724 CC1=CC(=O)N(C)C2=CC=CC=C12 AC-25834 [1,1,0,0,0,0|1,0,1]=4 113 B14R2.7724 CN1C(=O)C=C(Br)C2=CC=CC=C21 AC-30453 [1,1,0,0,0,0|1,0,1]=4 114 B14R2.7724 NC1=CC(=O)C2=C(C=CC=C2)C1=O AC-29928 [1,1,0,0,0,0|2,0,0]=4 115 B14R2.7724 O=C1C=C(Cl)C(=O)C2=C1C=CC=C2 AC-15235 [1,1,0,0,0,0|2,0,0]=4 116 B14R2.7724 O=C1C=C(Cl)C2=CC=CC=C2C1=O AC-16101 [1,1,0,0,0,0|1,0,1]=4 117 B14R2.7724 O=C1C=C(O)C(=O)C2=C1C=CC=C2 AC-34621 [1,1,0,0,0,0|1,0,0]=3 118 B14R2.7724 OC1=C(Br)C=C(Br)C2=CC=CC=C21 AC-22898 [1,1,0,0,0,0|2,0,0]=4 119 B14R2.29369 OC1=C(Br)C2=CC=C(Br)C=C2C=C1 AC-22895 [1,1,0,0,0,0|1,0,0]=3 120 B14R2.1078 O=CC1=C2C=CC=C(Cl)C2=CC=C1 AC-29779 [1,1,0,0,0,0|1,0,1]=4 121 B14R2.1078 O=CC1=C2C=CC=C(O)C2=CC=C1 AC-29804 [1,1,0,0,0,0|1,0,1]=4 122 B14R2.1131 COC1=CC=C(Br)C2=CC=CC=C12 AC-22964 [1,1,0,0,0,0|2,0,0]=4 123 B14R2.1131 O=CC1=C2C=CC=CC2=C(F)C=C1 AC-33889 [1,1,0,0,0,0|1,0,1]=4 124 B14R2.1131 O=CC1=CC=C(Br)C2=CC=CC=C12 AC-30765 [1,1,0,0,0,0|1,0,1]=4 125 B14R2.1146 COC1=CC(N)=CC2=CC=CC=C21 AC-9050 [1,1,0,0,0,0|2,0,0]=4 126 B14R2.1146 O=C1C=C(CBr)C2=CC=CC=C2N1 AC-7774 [1,1,0,0,0,0|2,0,0]=4 127 B14R2.7150 C=CCC1=CC=CC2=CC=CC=C21 AC-4946 [1,1,0,0,0,0|1,0,0]=3 128 B14R2.7150 CCOC1=CC=NC2=CC=CC=C21 AC-20565 [1,1,0,0,0,0|2,0,0]=4 129 B14R2.7150 CNCC1=CC=CC2=CC=CC=C21 AC-2115 [1,1,0,0,0,0|0,0,0]=2 130 B14R2.7150 CNCC1=CC=CC2=CC=CC=C21 AC-5794 [1,1,0,0,0,0|0,0,0]=2 131 B14R2.7150 N#CCC1=CC=CC2=CC=CC=C21 AC-5788 [1,1,0,0,0,0|0,0,1]=3 132 B14R2.7150 NCCC1=CC=CC2=CC=CC=C21 AC-29728 [1,1,0,0,0,0|0,0,0]=2 133 B14R2.7150 OCCC1=CC=CC2=CC=CC=C21 AC-4486 [1,1,0,0,0,0|1,0,0]=3 134 B14R2.11635 O=CC1=C2C(O)=CC=CC2=CC=C1 AC-29754 [1,1,0,0,0,0|1,0,1]=4 135 B14R2.31359 C[C@@H](N)C1=CC=CC2=CC=CC=C21 AC-6137 [1,1,0,0,0,0|0,0,0]=2 136 B14R2.31359 C[C@@H](O)C1=CC=CC2=CC=CC=C21 AC-9387 [1,1,0,0,0,0|1,0,0]=3 137 B14R2.31359 C[C@H](N)C1=CC=CC2=CC=CC=C21 AC-6138 [1,1,0,0,0,0|0,0,0]=2 138 B14R2.31359 C[C@H](O)C1=C2C=CC=CC2=CC=C1 AC-6590 [1,1,0,0,0,0|1,0,0]=3 139 B14R2.31359 O=C(O)C1=CC=CC2=CC=CC=C21 AC-4952 [1,1,0,0,0,0|1,0,1]=4 140 B14R2.31359 O=[N+]([O-])C1=C2C=CC=CC2=CC=C1 AC-29181 [1,1,0,0,0,0|2,0,0]=4 141 B14R2.31359 OB(O)C1=CC=CC2=CC=CC=C21 AC-5373 [1,1,0,0,0,0|2,0,0]=4 142 B16R2.34040 COC(=O)C1=C(O)C=CC2=CC=CC=C21 AC-24990 [0,2,0,0,0,0|1,0,1]=4 143 B14R2.24 OC1=C(C2=CC=CC=C2)C=CC=C1 AC-10362 [0,0,1,1,0,0|1,0,1]=4 144 B14R3.164 C1=CC2=CC=CC3=C2C(=C1)C=C3 AC-26296 [1,0,0,1,0,0|1,0,1]=4 145 B14R3.164 C1=CC2=CC=CC3=C2C(=C1)CC3 AC-19767 [1,0,0,1,0,0|1,0,0]=3 146 B16R3.335 CC1=NC2=C3C=CC=CC3=CC=C2O1 AC-19518 [0,1,0,1,0,0|1,0,1]=4 147 B12R2.18 CC1=C(C)C2=CC=CC=C2N1 AC-11743 [1,0,0,0,1,0|2,0,0]=4 148 B12R2.18 CC1=CC2=C(C=CC=C2)N1C AC-28904 [1,0,0,0,1,0|2,0,0]=4 149 B12R2.82 OC1=C(O)C2=C(C=CO2)C=C1 AC-14918 [1,0,0,0,1,0|2,0,0]=4 150 B12R2.82 OC1=CC=C2NC=CC2=C1F AC-14807 [1,0,0,0,1,0|2,0,0]=4 151 B12R2.1 NCC1=CNC2=C1C=CC=C2 AC-29759 [1,0,0,0,1,0|1,0,0]=3 152 B12R2.1 OCC1=CNC2=CC=CC=C12 AC-7583 [1,0,0,0,1,0|2,0,0]=4 153 B12R2.1 OCC1=COC2=CC=CC=C12 AC-26874 [1,0,0,0,1,0|2,0,0]=4