0 B11R2.1 BrC1=CCC2=C1C=CC=C2 D78625 [0,0,0,0,0,0|2,0,0]=2 1 B11R2.1 BrC1=NC=C2C=CC=CN21 C72097 [0,0,0,0,0,0|3,0,1]=4 2 B11R2.1 CC1=C2C=CC=CC2=NO1 AC6101 [0,0,0,0,0,0|2,0,0]=2 3 B11R2.1 C[C@H]1CNC2=C1C=CC=C2 W18948 [0,0,0,0,0,0|3,0,1]=4 4 B11R2.1 ClC1=CN=C2C=CC=CN12 F18114 [0,0,0,0,0,0|4,0,0]=4 5 B11R2.1 ClC1=CNC2=C1C=NC=C2 I11117 [0,0,0,0,0,0|4,0,0]=4 6 B11R2.1 ClC1=NSC2=C1C=CC=N2 F30332 [0,0,0,0,0,0|4,0,0]=4 7 B11R2.1 IC1=NN=C2C=CC=CN12 D78709 [0,0,0,0,0,0|4,0,0]=4 8 B11R2.1 NC1=CNC2=NC=CC=C12 C15185 [0,0,0,0,0,0|4,0,0]=4 9 B11R2.1 NC1=COC2=NC=CC=C12 N13337 [0,0,0,0,0,0|4,0,0]=4 10 B11R2.1 NC1=NN=C2C=CC=CN12 92122 [0,0,0,0,0,0|4,0,0]=4 11 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 41003 [0,0,0,0,0,0|2,0,1]=3 12 B11R2.1 N[C@H]1CCC2=CC=CN=C21 D81362 [0,0,0,0,0,0|3,0,1]=4 13 B11R2.1 N[C@H]1CCC2=NC=CC=C21 D79496 [0,0,0,0,0,0|3,0,1]=4 14 B11R2.1 N[C@H]1COC2=C1C=CC=C2 I11926 [0,0,0,0,0,0|3,0,1]=4 15 B11R2.1 O=C1COC2=C1C=CC=N2 O11821 [0,0,0,0,0,0|3,0,0]=3 16 B11R2.1 O=C1NCC2=CN=CN=C12 F52126 [0,0,0,0,0,0|3,0,0]=3 17 B11R2.1 OC1=C2C=CC=NC2=CN1 F18499 [0,0,0,0,0,0|2,0,2]=4 18 B11R2.1 OC1=CN=C2C=CC=CN12 F18394 [0,0,0,0,0,0|3,0,1]=4 19 B11R2.1 OC1=CNC2=C1C=CC=C2 F18139 [0,0,0,0,0,0|2,0,1]=3 20 B11R2.1 OC1=CSC2=C1C=CC=C2 C15915 [0,0,0,0,0,0|2,0,1]=3 21 B11R2.1 OC1=NSC2=NC=CC=C12 F30331 [0,0,0,0,0,0|3,0,1]=4 22 B11R2.1 ON1N=CC2=C1C=CC=C2 E70293 [0,0,0,0,0,0|2,0,2]=4 23 B11R2.1 O[C@H]1COC2=C1C=CC=C2 AT19563 [0,0,0,0,0,0|2,0,2]=4 24 B10R2.7 C1=CC2=C(C=C1)SCO2 76474 [1,0,0,0,0,0|3,0,0]=4 25 B10R2.7 C1=CC2=C(C=C1)SCS2 D71935 [1,0,0,0,0,0|3,0,0]=4 26 B10R2.7 C1=CC2=C(C=CO2)C=N1 D74565 [1,0,0,0,0,0|3,0,0]=4 27 B10R2.7 C1=CC2=C(C=N1)NN=C2 W10136 [1,0,0,0,0,0|3,0,0]=4 28 B10R2.7 C1=CC2=CN=NN2C=C1 31900 [1,0,0,0,0,0|3,0,0]=4 29 B10R2.7 C1=CC2=NNC=C2N=C1 F18246 [1,0,0,0,0,0|3,0,0]=4 30 B10R2.7 C1=CN=C2NCCC2=C1 C13729 [1,0,0,0,0,0|3,0,0]=4 31 B12R2.1 CN[C@H]1CCC2=C1C=CC=C2 AT22267 [0,1,0,0,0,0|2,0,1]=4 32 B12R2.1 COC1=NNC2=C1C=CC=C2 P11898 [0,1,0,0,0,0|2,0,1]=4 33 B12R2.1 CSC1=CNC2=C1C=CC=C2 80001 [0,1,0,0,0,0|2,1,0]=4 34 B12R2.1 ClCC1=COC2=C1C=CC=C2 C76142 [0,1,0,0,0,0|3,0,0]=4 35 B12R2.1 N#C[C@H]1CCC2=C1C=CC=C2 81813 [0,1,0,0,0,0|2,0,1]=4 36 B12R2.1 NCC1=CNC2=C1C=CC=C2 C80078 [0,1,0,0,0,0|3,0,0]=4 37 B12R2.1 NCC1=COC2=C1C=CC=C2 AC4652 [0,1,0,0,0,0|3,0,0]=4 38 B12R2.1 NC[C@H]1CCC2=C1C=CC=C2 20176 [0,1,0,0,0,0|2,0,1]=4 39 B12R2.1 O=CC1=C2C=CC=CC2=NN1 F17858 [0,1,0,0,0,0|2,0,0]=3 40 B12R2.1 O=CC1=NN=C2C=CC=CN12 D78708 [0,1,0,0,0,0|3,0,0]=4 41 B12R2.1 O=C[C@@H]1CCC2=C1C=CC=C2 D78606 [0,1,0,0,0,0|1,0,1]=3 42 B12R2.1 OCC1=COC2=C1C=CC=C2 AC6184 [0,1,0,0,0,0|2,0,1]=4 43 B12R2.1 OC[C@H]1CCC2=C1C=CC=C2 AC3163 [0,1,0,0,0,0|1,0,2]=4 44 B12R2.18 BrC1=C(Br)C2=C(C=CC=C2)O1 95276 [0,1,0,0,0,0|3,0,0]=4 45 B12R2.18 CN1CC2=C(C=CC=N2)C1=O F18170 [0,1,0,0,0,0|2,0,0]=3 46 B12R2.18 N[C@H]1CC2=C(C=CC=C2)C1=O 66097 [0,1,0,0,0,0|1,0,0]=2 47 B12R2.18 O=C1NC2=C(C=CN=C2)C1=O W17877 [0,1,0,0,0,0|3,0,0]=4 48 B12R2.18 O=C1NC2=C(C=NC=C2)C1=O C15054 [0,1,0,0,0,0|3,0,0]=4 49 B12R2.18 O=C1OC2=C(C=CC=C2)C1=O AC2209 [0,1,0,0,0,0|2,0,0]=3 50 B12R2.132 BrC1=CC2=C(C=C1)NC=C2Br C16409 [0,1,0,0,0,0|3,0,0]=4 51 B12R2.132 BrC1=CC2=C(C=C1)NN=C2Br 25334 [0,1,0,0,0,0|3,0,0]=4 52 B12R2.132 CC1=CC2=C(C=C1)CC[C@@H]2N N10962 [0,1,0,0,0,0|2,0,1]=4 53 B12R2.132 CC1=CC2=C(C=C1)CC[C@@H]2N W12236 [0,1,0,0,0,0|2,0,1]=4 54 B12R2.132 CC1=CC2=C(C=C1)COC2=O F13924 [0,1,0,0,0,0|0,0,0]=1 55 B12R2.132 CC1=CC2=C(C=C1)NN=C2Br 71676 [0,1,0,0,0,0|3,0,0]=4 56 B12R2.132 CC1=CC2=C(C=C1)SC=C2C 60584 [0,1,0,0,0,0|3,0,0]=4 57 B12R2.132 CC1=CC2=C(C=C1)SN=C2N 50632 [0,1,0,0,0,0|3,0,0]=4 58 B12R2.132 CC1=NNC2=C1C=C(Br)C=C2 F13807 [0,1,0,0,0,0|3,0,0]=4 59 B12R2.132 CC1=NNC2=C1C=C(O)C=C2 83020 [0,1,0,0,0,0|3,0,0]=4 60 B12R2.132 CC1=NOC2=C1C=C(Cl)C=C2 D78622 [0,1,0,0,0,0|3,0,0]=4 61 B12R2.132 IC1=CC2=C(C=C1)NN=C2I F18192 [0,1,0,0,0,0|3,0,0]=4 62 B12R2.132 NC1=CC2=C(C=C1)NN=C2O 97386 [0,1,0,0,0,0|2,0,1]=4 63 B12R2.132 NC1=CC2=C(C=C1)NN=C2O I11429 [0,1,0,0,0,0|2,0,1]=4 64 B12R2.132 NC1=CNC2=C1C=C(Br)C=C2 C90107 [0,1,0,0,0,0|3,0,0]=4 65 B12R2.132 NC1=CNC2=C1C=C(Br)C=C2 S10690 [0,1,0,0,0,0|3,0,0]=4 66 B12R2.132 NC1=NSC2=C1C=C(I)C=C2 D87688 [0,1,0,0,0,0|3,0,0]=4 67 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 F16937 [0,1,0,0,0,0|2,0,1]=4 68 B12R2.132 N[C@H]1CCC2=C1C=C(O)C=C2 41007 [0,1,0,0,0,0|2,0,1]=4 69 B12R2.132 O=C1C=CC2=C1C=C(Br)C=C2 D78663 [0,1,0,0,0,0|1,0,1]=3 70 B12R2.132 O=C1COC2=C1C=C(Cl)C=C2 52578 [0,1,0,0,0,0|2,0,0]=3 71 B12R2.132 O=C1NCC2=C1N=C(Cl)C=C2 D88086 [0,1,0,0,0,0|2,0,0]=3 72 B12R2.132 O=C1NCC2=NC=C(F)C=C12 D82651 [0,1,0,0,0,0|2,0,0]=3 73 B12R2.132 O=C1NN=C2C=CC(Cl)=CN12 96135 [0,1,0,0,0,0|3,0,0]=4 74 B12R2.132 O=C1NN=C2C=CC(I)=CN12 C91521 [0,1,0,0,0,0|3,0,0]=4 75 B12R2.132 O=C1NNC2=NC=C(Br)C=C12 C91217 [0,1,0,0,0,0|3,0,0]=4 76 B12R2.132 O=C1ONC2=C1C=C(Br)C=C2 D78661 [0,1,0,0,0,0|1,0,0]=2 77 B12R2.132 OB1OCC2=C1C=C(Cl)C=C2 F15587 [0,1,0,0,0,0|1,0,1]=3 78 B12R2.132 OC1=CC2=C(C=C1)ON=C2Cl AT24771 [0,1,0,0,0,0|3,0,0]=4 79 B12R2.132 OC1=NNC2=C1C=C(F)C=C2 97402 [0,1,0,0,0,0|2,0,1]=4 80 B12R2.132 OC1=NNC2=C1C=C(F)C=C2 I10228 [0,1,0,0,0,0|2,0,1]=4 81 B12R2.196 BrC1=CC=CC2=C1NC=C2I F17983 [0,1,0,0,0,0|3,0,0]=4 82 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2N N10987 [0,1,0,0,0,0|2,0,1]=4 83 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2N N10988 [0,1,0,0,0,0|2,0,1]=4 84 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2N N10989 [0,1,0,0,0,0|2,0,1]=4 85 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2N N12838 [0,1,0,0,0,0|2,0,1]=4 86 B12R2.196 CC1=CC=CC2=C1NN=C2O F18597 [0,1,0,0,0,0|2,0,1]=4 87 B12R2.196 CC1=CC=CC2=C1OCC2=O 32296 [0,1,0,0,0,0|2,0,0]=3 88 B12R2.196 CC1=CNC2=C(N)C=CC=C12 F50995 [0,1,0,0,0,0|3,0,0]=4 89 B12R2.196 CC1=COC2=C(Br)C=CC=C12 76397 [0,1,0,0,0,0|3,0,0]=4 90 B12R2.196 CN1CCC2=C1C=CC=C2N AC8036 [0,1,0,0,0,0|3,0,0]=4 91 B12R2.196 ClC1=NOC2=C(Cl)C=CC=C12 AT25192 [0,1,0,0,0,0|3,0,0]=4 92 B12R2.196 ClC1=NSC2=C(Br)C=CC=C12 AT19022 [0,1,0,0,0,0|3,0,0]=4 93 B12R2.196 FC1=CC=CC2=C1SC=C2Br F13551 [0,1,0,0,0,0|3,0,0]=4 94 B12R2.196 NC1=CC=CC2=C1NC=C2Cl AC8606 [0,1,0,0,0,0|3,0,0]=4 95 B12R2.196 NC1=CC=CC2=C1OC=C2Cl F14478 [0,1,0,0,0,0|3,0,0]=4 96 B12R2.196 NC1=NOC2=C(Cl)C=CC=C12 AT10503 [0,1,0,0,0,0|3,0,0]=4 97 B12R2.196 NC1=NOC2=C(F)C=CC=C12 AT10505 [0,1,0,0,0,0|3,0,0]=4 98 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 Y11667 [0,1,0,0,0,0|2,0,1]=4 99 B12R2.196 N[C@H]1CCC2=C(F)C=CC=C21 F16929 [0,1,0,0,0,0|2,0,1]=4 100 B12R2.196 N[C@H]1CCC2=C(F)C=CC=C21 N10489 [0,1,0,0,0,0|2,0,1]=4 101 B12R2.196 O=C1CCN2C(=O)C=CC=C12 AT19288 [0,1,0,0,0,0|2,0,0]=3 102 B12R2.196 O=C1OCC2=C1C=NC=C2O 69355 [0,1,0,0,0,0|1,0,0]=2 103 B12R2.196 OC1=NNC2=C(F)C=CC=C12 F18746 [0,1,0,0,0,0|2,0,1]=4 104 B12R2.203 BrC1=NNC2=CC=CC(I)=C21 C16605 [0,1,0,0,0,0|3,0,0]=4 105 B12R2.203 CC1=C2C(=CC=C1)NN=C2Cl F18554 [0,1,0,0,0,0|3,0,0]=4 106 B12R2.203 CC1=C2C(=CC=C1)NN=C2O F18288 [0,1,0,0,0,0|2,0,1]=4 107 B12R2.203 CC1=C2C(=O)NCC2=CC=C1 O11662 [0,1,0,0,0,0|1,0,0]=2 108 B12R2.203 CC1=C2C(=O)OCC2=CC=C1 I11580 [0,1,0,0,0,0|0,0,0]=1 109 B12R2.203 CC1=CC=CC2=NO[N+]([O-])=C12 D87814 [0,1,0,0,0,0|2,0,1]=4 110 B12R2.203 CC1=CNC2=C1C(N)=CC=C2 P12117 [0,1,0,0,0,0|3,0,0]=4 111 B12R2.203 CC1=CNC2=CC=CC(Cl)=C12 82101 [0,1,0,0,0,0|3,0,0]=4 112 B12R2.203 CC1=COC2=CC=CC(Br)=C12 F30977 [0,1,0,0,0,0|3,0,0]=4 113 B12R2.203 CC1=NNC2=CC=CC(O)=C21 F17559 [0,1,0,0,0,0|3,0,0]=4 114 B12R2.203 FC1=CNC2=CC=CC(Br)=C12 AC1901 [0,1,0,0,0,0|3,0,0]=4 115 B12R2.203 IC1=NNC2=CC=CC(I)=C21 C16604 [0,1,0,0,0,0|3,0,0]=4 116 B12R2.203 NC1=CC=CC2=NNC(=O)N12 C92929 [0,1,0,0,0,0|3,0,0]=4 117 B12R2.203 NC1=NOC2=CC=CC(Cl)=C21 F30905 [0,1,0,0,0,0|3,0,0]=4 118 B12R2.203 NC1=NOC2=CC=CC(I)=C21 AC2683 [0,1,0,0,0,0|3,0,0]=4 119 B12R2.203 N[C@H]1CCC2=CC=CC(F)=C21 Y12096 [0,1,0,0,0,0|2,0,1]=4 120 B12R2.203 O=C1COC2=CC=CC(Cl)=C12 AT10336 [0,1,0,0,0,0|2,0,0]=3 121 B12R2.203 O=C1NCC2=NC=CC(Cl)=C12 E71331 [0,1,0,0,0,0|2,0,0]=3 122 B12R2.612 BrC1=CC2=C(C=C1)C(Br)=CS2 81955 [0,1,0,0,0,0|3,0,0]=4 123 B12R2.612 CC1=CC2=C(C=C1)C(=O)NC2 F21430 [0,1,0,0,0,0|1,0,0]=2 124 B12R2.612 CC1=CC2=C(C=C1)C(Br)=NN2 P10511 [0,1,0,0,0,0|3,0,0]=4 125 B12R2.612 CC1=CC2=C(C=C1)C(Cl)=NN2 C16594 [0,1,0,0,0,0|3,0,0]=4 126 B12R2.612 CC1=CC2=C(C=C1)C(N)=NN2 90926 [0,1,0,0,0,0|3,0,0]=4 127 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CC2 N10840 [0,1,0,0,0,0|2,0,1]=4 128 B12R2.612 CC1=COC2=C1C=CC(Br)=C2 V10221 [0,1,0,0,0,0|3,0,0]=4 129 B12R2.612 CC1=NSC2=C1C=CC(Br)=C2 E72372 [0,1,0,0,0,0|3,0,0]=4 130 B12R2.612 CC1=NSC2=C1C=CC(N)=C2 E72373 [0,1,0,0,0,0|3,0,0]=4 131 B12R2.612 ClC1=CC2=C(C=C1)[C@@H](Br)CC2 AT21847 [0,1,0,0,0,0|2,0,1]=4 132 B12R2.612 ClC1=CNC2=C1C=CC(Br)=C2 W17736 [0,1,0,0,0,0|3,0,0]=4 133 B12R2.612 Cl[C@H]1CCC2=C1C=CC(Br)=C2 O11349 [0,1,0,0,0,0|2,0,1]=4 134 B12R2.612 FC1=CSC2=C1C=CC(Br)=C2 98454 [0,1,0,0,0,0|3,0,0]=4 135 B12R2.612 NC1=CC2=C(C=C1)C(N)=NN2 C16551 [0,1,0,0,0,0|3,0,0]=4 136 B12R2.612 NC1=NNC2=C1C=CC(I)=C2 W13470 [0,1,0,0,0,0|3,0,0]=4 137 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 69968 [0,1,0,0,0,0|2,0,1]=4 138 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 F16940 [0,1,0,0,0,0|2,0,1]=4 139 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 Y11252 [0,1,0,0,0,0|2,0,1]=4 140 B12R2.612 O=C1CCC2=C1C=CC(Cl)=N2 94539 [0,1,0,0,0,0|2,0,0]=3 141 B12R2.612 O=C1CCC2=C1C=CC(S)=C2 79915 [0,1,0,0,0,0|1,0,0]=2 142 B12R2.612 O=C1N=CC2=C1C=CC(F)=C2 W17708 [0,1,0,0,0,0|1,0,1]=3 143 B12R2.612 O=C1ONC2=C1C=CC(Br)=C2 D78660 [0,1,0,0,0,0|1,0,0]=2 144 B12R2.612 OC1=NNC2=C1C=CC(Cl)=C2 S10302 [0,1,0,0,0,0|2,0,1]=4 145 B12R2.612 OC1=NSC2=C1C=CC(Cl)=C2 F51296 [0,1,0,0,0,0|2,0,1]=4 146 B12R2.2028 O=C1C[C@H](O)C2=C1C=CC=C2 93243 [0,1,0,0,0,0|1,0,0]=2 147 B12R2.2028 O=C1N[C@@H](O)C2=C1C=CC=N2 C14231 [0,1,0,0,0,0|2,0,0]=3 148 B10R1.15 C=C(CO)C1=CC=CC=C1 A11577 [0,0,1,0,0,0|3,0,0]=4 149 B10R1.15 CCC(=O)C1=CC=NC=C1 N12310 [0,0,1,0,0,0|2,0,0]=3 150 B10R1.15 CCC(=O)C1=NC=CC=N1 D72036 [0,0,1,0,0,0|3,0,0]=4 151 B10R1.15 CC[C@H](N)C1=CC=CC=C1 N12648 [0,0,1,0,0,0|2,0,1]=4 152 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 L10186 [0,0,1,0,0,0|2,0,1]=4 153 B10R1.15 COC(=N)C1=CC=CC=C1 W12775 [0,0,1,0,0,0|1,0,0]=2 154 B10R1.15 COC(=N)C1=CC=NC=C1 D87808 [0,0,1,0,0,0|2,0,0]=3 155 B10R1.15 COC(=O)N1C=CC=CC1 F21432 [0,0,1,0,0,0|1,0,1]=3 156 B10R1.15 C[C@H](ON)C1=CC=CC=C1 AT14528 [0,0,1,0,0,0|2,0,1]=4 157 B10R1.15 C[C@H](ON)C1=CC=CC=C1 AT14530 [0,0,1,0,0,0|2,0,1]=4 158 B10R1.15 NCC(=O)C1=CN=CC=C1 D87739 [0,0,1,0,0,0|3,0,0]=4 159 B10R1.15 NCC(=O)C1=CN=CC=C1 F13353 [0,0,1,0,0,0|3,0,0]=4 160 B10R1.15 N\C(=N/O)C1=CC=CC=C1 L10027 [0,0,1,0,0,0|3,0,0]=4 161 B10R1.15 O=C(CO)C1=CC=NC=C1 AC5781 [0,0,1,0,0,0|3,0,0]=4 162 B10R1.15 O=C(CO)C1=CN=CC=C1 AC2803 [0,0,1,0,0,0|3,0,0]=4 163 B10R1.17 NNCCC1=CC=CC=C1 AC4670 [0,0,1,0,0,0|3,0,0]=4 164 B10R1.17 NOCCC1=CC=CC=C1 C10179 [0,0,1,0,0,0|3,0,0]=4 165 B10R1.17 O=CCCC1=NC=CC=C1 P20552 [0,0,1,0,0,0|2,0,0]=3 166 B10R1.17 O=CCOC1=CC=CC=C1 C15303 [0,0,1,0,0,0|2,0,0]=3 167 B10R1.17 O=CNCC1=NC=CC=C1 AC6369 [0,0,1,0,0,0|2,0,0]=3 168 B10R1.17 O=C\C=C\C1=CC=NC=C1 T72403 [0,0,1,0,0,0|2,0,1]=4 169 B10R1.20 CNC1=C(CO)C=CC=C1 C74490 [0,0,1,0,0,0|2,0,0]=3 170 B10R1.20 COC1=C(CO)C=CN=C1 P11879 [0,0,1,0,0,0|3,0,0]=4 171 B10R1.20 N#CC1=C(C=O)C=CC=N1 P10442 [0,0,1,0,0,0|2,0,1]=4 172 B10R1.20 N#CC1=C(C=O)C=NC=C1 P12254 [0,0,1,0,0,0|2,0,1]=4 173 B10R1.20 N#CC1=CC=CN=C1C=O P10836 [0,0,1,0,0,0|2,0,1]=4 174 B10R1.20 NNC1=C(CO)C=CC=N1 D77554 [0,0,1,0,0,0|3,0,0]=4 175 B10R1.61 C=C(C)C1=C(I)C=CC=C1 E72643 [0,0,1,0,0,0|3,0,0]=4 176 B10R1.61 CC(=O)C1=C(C)C=CN=C1 69949 [0,0,1,0,0,0|2,0,0]=3 177 B10R1.61 CC(=O)C1=C(C)C=NC=C1 28203 [0,0,1,0,0,0|2,0,0]=3 178 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 86430 [0,0,1,0,0,0|3,0,0]=4 179 B10R1.61 CC(=O)C1=C(N)C=NC=C1 W18377 [0,0,1,0,0,0|3,0,0]=4 180 B10R1.61 CC(=O)C1=C(S)C=CC=C1 93483 [0,0,1,0,0,0|2,0,0]=3 181 B10R1.61 CC(=O)C1=CC=CNC1=O C10188 [0,0,1,0,0,0|3,0,0]=4 182 B10R1.61 CC(=O)C1=NC=NC=C1C O10307 [0,0,1,0,0,0|3,0,0]=4 183 B10R1.61 CC1=C(B(O)O)C=CN=C1 AT14590 [0,0,1,0,0,0|2,0,1]=4 184 B10R1.61 CC1=C(C(C)C)C=CC=C1 T71005 [0,0,1,0,0,0|2,0,1]=4 185 B10R1.61 CC1=C(P(Cl)Cl)C=CC=C1 AC9855 [0,0,1,0,0,0|3,0,0]=4 186 B10R1.61 CC1=CC=CN=C1B([O-])O AT15845 [0,0,1,0,0,0|2,0,1]=4 187 B10R1.61 CC1=[13C](C(=O)O)C=CC=C1 D98685 [0,0,1,0,0,0|0,0,0]=1 188 B10R1.61 N=C(N)C1=C(F)C=CC=C1 W10322 [0,0,1,0,0,0|3,0,0]=4 189 B10R1.61 NC(=O)C1=C(F)C=NC=C1 55531 [0,0,1,0,0,0|3,0,0]=4 190 B10R1.61 NC(=O)C1=C(O)N=CC=C1 D74336 [0,0,1,0,0,0|3,0,0]=4 191 B10R1.61 O=C(O)C1=C(Br)C=CN=C1 78917 [0,0,1,0,0,0|2,0,0]=3 192 B10R1.61 O=C(O)C1=CN=CN=C1Cl F10440 [0,0,1,0,0,0|3,0,0]=4 193 B10R1.61 O=C([O-])C1=C(Cl)C=CC=C1 I11424 [0,0,1,0,0,0|1,0,1]=3 194 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 FD10574 [0,0,1,0,0,0|1,0,1]=3 195 B12R3.12 C1=CC2=C(C=C1)C3OC3C2 F51253 [0,0,0,1,0,0|1,0,2]=4 196 B10R2.32 O=C1CCC2=C1C=NN2 D85467 [0,0,0,0,1,0|3,0,0]=4 197 B10R2.32 O=C1CCC2=CNC=C12 F12460 [0,0,0,0,1,0|2,0,0]=3 198 B10R2.32 O=C1CCN2C=NC=C12 C13949 [0,0,0,0,1,0|3,0,0]=4 199 B10R2.32 O=C1NCC2=C1SC=C2 84280 [0,0,0,0,1,0|2,0,0]=3 200 B10R2.32 O=C1NCC2=CC=CN12 F52206 [0,0,0,0,1,0|2,0,0]=3 201 B10R2.320 N[C@H]1CC2=C1C=CC=C2 AT20398 [0,0,0,0,1,0|1,0,1]=3 202 B12R2.24 Br[C@H]1CCC2=C(C=CC=C2)C1 F13406 [0,0,0,0,0,1|2,0,1]=4 203 B12R2.24 CC1=CC2=C(C=CC=C2)CN1 F12577 [0,0,0,0,0,1|2,0,0]=3 204 B12R2.24 C[C@H]1CC2=C(C=CC=C2)CN1 12711 [0,0,0,0,0,1|2,0,1]=4 205 B12R2.24 C[C@H]1CC2=C(C=CC=C2)CN1 C74526 [0,0,0,0,0,1|2,0,1]=4 206 B12R2.24 ClC1=NC2=CC=CC=C2N=N1 D78678 [0,0,0,0,0,1|3,0,0]=4 207 B12R2.24 NC1=CC2=CC=CC=C2N=N1 W16974 [0,0,0,0,0,1|3,0,0]=4 208 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 F13193 [0,0,0,0,0,1|2,0,1]=4 209 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 F18883 [0,0,0,0,0,1|2,0,1]=4 210 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 F18889 [0,0,0,0,0,1|2,0,1]=4 211 B12R2.24 O=C1C=CC2=C(C=CC=N2)N1 97799 [0,0,0,0,0,1|2,0,1]=4 212 B12R2.24 O=C1C=NC2=C(C=CC=N2)N1 F14289 [0,0,0,0,0,1|3,0,0]=4 213 B12R2.24 O=C1CC2=C(C=NC=C2)CN1 86461 [0,0,0,0,0,1|2,0,0]=3 214 B12R2.24 O=C1COC2=C(C=CC=C2)C1 F53084 [0,0,0,0,0,1|2,0,0]=3 215 B12R2.24 O=C1CSC2=C(N=CC=C2)N1 92244 [0,0,0,0,0,1|3,0,0]=4 216 B12R2.24 O=C1N=CC2=C(C=CC=C2)N1 F15801 [0,0,0,0,0,1|1,0,1]=3 217 B12R2.24 O=C1N=CC2=C(N=CC=C2)N1 90179 [0,0,0,0,0,1|2,0,1]=4 218 B12R2.24 O=C1NC2=C(C=CC=C2)CO1 AC3815 [0,0,0,0,0,1|0,0,0]=1 219 B12R2.24 O=C1NC2=C(C=CC=N2)CO1 AC7037 [0,0,0,0,0,1|1,0,0]=2 220 B12R2.24 O=C1NC2=C(C=CN=C2)CO1 AC5095 [0,0,0,0,0,1|1,0,0]=2 221 B12R2.1081 C=C1CCCC2=C1C=CC=C2 D87874 [0,0,0,0,0,1|2,0,0]=3 222 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 71815 [0,0,0,0,0,1|2,0,1]=4 223 B12R2.1081 ClC1=NN=NC2=CC=CC=C21 AT14199 [0,0,0,0,0,1|3,0,0]=4 224 B12R2.1081 Cl[C@H]1CCCC2=C1C=CC=C2 A11734 [0,0,0,0,0,1|2,0,1]=4 225 B12R2.1081 FC1=CC=NC2=CC=CC=C12 P19300 [0,0,0,0,0,1|2,0,1]=4 226 B12R2.1081 N[C@H]1CSCC2=C1C=CC=C2 SC2891 [0,0,0,0,0,1|1,1,1]=4 227 B12R2.1081 O=C1C=CNC2=CC=CN=C12 N16989 [0,0,0,0,0,1|2,0,1]=4 228 B12R2.1081 O=C1CCCC2=NC=CN=C12 P11622 [0,0,0,0,0,1|3,0,0]=4 229 B12R2.1081 O=C1CNCC2=C1C=CC=C2 F12400 [0,0,0,0,0,1|1,0,0]=2 230 B12R2.1081 O=C1NC=CC2=C1C=CN=C2 80790 [0,0,0,0,0,1|2,0,1]=4 231 B12R2.1081 O=C1NC=CC2=C1C=NC=C2 37304 [0,0,0,0,0,1|2,0,1]=4 232 B12R2.1081 O=C1NC=NC2=CC=CN=C12 P10231 [0,0,0,0,0,1|2,0,1]=4 233 B12R2.1081 O=C1NCCC2=C1C=CN=C2 D84896 [0,0,0,0,0,1|2,0,0]=3 234 B12R2.1081 O=C1NN=CC2=C1C=NC=C2 84846 [0,0,0,0,0,1|2,0,1]=4 235 B12R2.1081 O=C1NN=CC2=CC=CN=C12 84844 [0,0,0,0,0,1|2,0,1]=4 236 B12R2.1081 O=C1OC=NC2=C1C=CC=C2 D72797 [0,0,0,0,0,1|0,0,1]=2 237 B12R2.1081 O[C@H]1CNCC2=C1C=CC=C2 95583 [0,0,0,0,0,1|1,0,2]=4 238 B12R2.1081 O[C@H]1CNCC2=C1C=CC=C2 F13197 [0,0,0,0,0,1|1,0,2]=4 239 B12R2.1081 [2H]C1=CC=CC2=CC=CC=C12 D98917 [0,0,0,0,0,1|2,0,1]=4 240 B9R1.6 O=C(Cl)C1=CC=NC=C1 D78267 [1,0,1,0,0,0|2,0,0]=4 241 B9R1.6 O=C([O-])C1=NC=CC=C1 T71798 [1,0,1,0,0,0|1,0,1]=4 242 B9R1.6 O=[13C](O)C1=CC=CC=C1 F13987 [1,0,1,0,0,0|0,0,0]=2 243 B9R1.6 [2H]C(=C)C1=CC=CC=C1 D97969 [1,0,1,0,0,0|1,0,1]=4 244 B9R1.8 CNNC1=CC=CC=C1 C77159 [1,0,1,0,0,0|2,0,0]=4 245 B9R1.8 FCCC1=CC=CC=C1 75534 [1,0,1,0,0,0|1,0,1]=4 246 B9R1.8 NCCC1=CC=CC=C1 T71816 [1,0,1,0,0,0|1,0,1]=4 247 B9R1.8 NCCC1=CC=CC=C1 T72591 [1,0,1,0,0,0|1,0,1]=4 248 B9R1.15 C=CC1=C(C)C=CC=C1 T72704 [1,0,1,0,0,0|1,0,0]=3 249 B9R1.15 C=CC1=C(C)C=CN=C1 P11580 [1,0,1,0,0,0|2,0,0]=4 250 B9R1.15 CC1=C(C=O)C=NC=N1 O11269 [1,0,1,0,0,0|2,0,0]=4 251 B9R1.15 NC1=C(C=O)C=NC=C1 W12249 [1,0,1,0,0,0|2,0,0]=4 252 B9R1.15 NCC1=C(I)C=CC=C1 AT26620 [1,0,1,0,0,0|2,0,0]=4 253 B9R1.15 O=CC1=CNC=CC1=O O11278 [1,0,1,0,0,0|1,0,1]=4 254 B9R1.15 OCC1=C(F)C=CN=C1 P11878 [1,0,1,0,0,0|2,0,0]=4 255 B9R1.15 [2H]CC1=C(F)C=CC=C1 D99779 [1,0,1,0,0,0|2,0,0]=4 256 B11R1.16 CCOC(=N)C1=NC=CC=C1 F18164 [0,1,1,0,0,0|2,0,0]=4 257 B11R1.16 COC[C@H](N)C1=CC=CC=C1 AC6537 [0,1,1,0,0,0|1,0,1]=4 258 B11R1.16 [N-]=[N+]=CC(=O)C1=CC=CC=C1 AT25592 [0,1,1,0,0,0|2,0,0]=4 259 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 C75563 [0,1,1,0,0,0|2,0,0]=4 260 B11R1.22 CC1=CC=C(C(=O)CO)C=C1 AC6089 [0,1,1,0,0,0|2,0,0]=4 261 B11R1.22 CCC(=O)C1=CN=C(Br)C=C1 F50479 [0,1,1,0,0,0|2,0,0]=4 262 B11R1.22 CCC(=O)C1=CN=C(C)C=C1 N14278 [0,1,1,0,0,0|2,0,0]=4 263 B11R1.22 CCC(=O)C1=CN=C(F)C=C1 N14274 [0,1,1,0,0,0|2,0,0]=4 264 B11R1.22 CNC(=O)C1=NC=C(N)C=C1 AT26730 [0,1,1,0,0,0|2,0,0]=4 265 B11R1.22 COC(=N)C1=CC=C(Br)C=C1 AC7283 [0,1,1,0,0,0|1,0,0]=3 266 B11R1.22 COC(=O)C1=CN=C(C)N=C1 P11085 [0,1,1,0,0,0|2,0,0]=4 267 B11R1.22 CO[C@@H](C)C1=CC=C(Br)C=C1 N11516 [0,1,1,0,0,0|1,0,1]=4 268 B11R1.22 CO[S@@](=O)C1=CC=C(C)C=C1 D92807 [0,1,1,0,0,0|1,0,0]=3 269 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 24831 [0,1,1,0,0,0|2,0,0]=4 270 B11R1.22 NCC(=O)C1=CC=C(O)C=C1 F14651 [0,1,1,0,0,0|2,0,0]=4 271 B11R1.22 O=C(CF)C1=CC=C(Br)C=C1 W17424 [0,1,1,0,0,0|2,0,0]=4 272 B11R1.22 O=C(CO)C1=CC=C(O)C=C1 D87702 [0,1,1,0,0,0|2,0,0]=4 273 B11R1.22 O=C([13CH2]Br)C1=CC=C(Br)C=C1 D97990 [0,1,1,0,0,0|2,0,0]=4 274 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 O10480 [0,1,1,0,0,0|2,0,0]=4 275 B11R1.23 CC1=CC=CC(C(=O)CO)=C1 AC3231 [0,1,1,0,0,0|2,0,0]=4 276 B11R1.23 CCC(=O)C1=CC(Br)=CN=C1 N14270 [0,1,1,0,0,0|2,0,0]=4 277 B11R1.23 CCC(=O)C1=CC(Cl)=NC=C1 N13049 [0,1,1,0,0,0|2,0,0]=4 278 B11R1.23 CCC(=O)C1=CC(N)=CC=C1 34175 [0,1,1,0,0,0|1,0,0]=3 279 B11R1.23 CNC(=O)C1=NC=CC(O)=C1 N13116 [0,1,1,0,0,0|2,0,0]=4 280 B11R1.23 COC(=O)C1=CC(I)=NN=C1 C92378 [0,1,1,0,0,0|2,0,0]=4 281 B11R1.23 COC(=O)C1=CC(N)=NC=C1 W17825 [0,1,1,0,0,0|1,0,0]=3 282 B11R1.23 COC(=O)C1=CC(S)=NC=C1 F18003 [0,1,1,0,0,0|1,0,0]=3 283 B11R1.23 COC(=O)C1=CC=CC(I)=N1 C16472 [0,1,1,0,0,0|1,0,0]=3 284 B11R1.23 COC(=O)C1=CN=CC(=O)N1 72441 [0,1,1,0,0,0|2,0,0]=4 285 B11R1.23 COC(=O)C1=NC=CC(O)=C1 AC3417 [0,1,1,0,0,0|1,0,0]=3 286 B11R1.23 NCC(=O)C1=CC(O)=CC=C1 C77908 [0,1,1,0,0,0|2,0,0]=4 287 B11R1.23 O=C(CO)C1=CC=CC(Br)=C1 AC6088 [0,1,1,0,0,0|2,0,0]=4 288 B11R1.23 O=C(CO)C1=CC=CC(F)=C1 AC5675 [0,1,1,0,0,0|2,0,0]=4 289 B11R1.23 O=CC(=O)C1=CC=CC(Cl)=C1 AB10250 [0,1,1,0,0,0|2,0,0]=4 290 B11R1.36 C=C(C1=CC=CC=C1)C(C)C W11468 [0,1,1,0,0,0|2,0,0]=4 291 B11R1.36 CC(C)C(=O)C1=CC=NC=C1 N12821 [0,1,1,0,0,0|2,0,0]=4 292 B11R1.36 C[C@H](N)C(=O)C1=CC=CC=C1 F13376 [0,1,1,0,0,0|1,0,0]=3 293 B11R1.222 CC1=C(C(=O)CO)C=CC=C1 AC4310 [0,1,1,0,0,0|2,0,0]=4 294 B11R1.222 CCC(=O)C1=C(Br)C=CC=C1 72058 [0,1,1,0,0,0|1,0,0]=3 295 B11R1.222 CCC(=O)C1=C(Br)C=NC=C1 N14286 [0,1,1,0,0,0|2,0,0]=4 296 B11R1.222 CCC(=O)C1=C(Cl)C=CN=C1 N14267 [0,1,1,0,0,0|2,0,0]=4 297 B11R1.222 CCC(=O)C1=C(F)C=CC=N1 N14248 [0,1,1,0,0,0|2,0,0]=4 298 B11R1.222 CCC(=O)C1=C(F)C=NC=C1 N14283 [0,1,1,0,0,0|2,0,0]=4 299 B11R1.222 CCC(=O)C1=CC=CN=C1Br N14264 [0,1,1,0,0,0|2,0,0]=4 300 B11R1.222 CCC(=O)C1=CC=CN=C1Cl N14262 [0,1,1,0,0,0|2,0,0]=4 301 B11R1.222 CCC(=O)C1=CC=CN=C1F N14261 [0,1,1,0,0,0|2,0,0]=4 302 B11R1.222 CCC(=O)C1=NC=CC=C1C N12289 [0,1,1,0,0,0|2,0,0]=4 303 B11R1.222 CNC(=O)C1=C(I)C=CC=C1 E72599 [0,1,1,0,0,0|1,0,0]=3 304 B11R1.222 CNC(=O)C1=NC=CC=C1O C71661 [0,1,1,0,0,0|2,0,0]=4 305 B11R1.222 COC(=N)C1=C(Br)C=CC=C1 AC5256 [0,1,1,0,0,0|1,0,0]=3 306 B11R1.222 COC(=O)C1=C(C)C=NC=C1 CS1425 [0,1,1,0,0,0|1,0,0]=3 307 B11R1.222 COC(=O)C1=C(Cl)C=NC=N1 67177 [0,1,1,0,0,0|2,0,0]=4 308 B11R1.222 COC(=O)C1=CN=CN=C1Cl 31492 [0,1,1,0,0,0|2,0,0]=4 309 B11R1.222 COC(=O)C1=NC=NC=C1C F53212 [0,1,1,0,0,0|2,0,0]=4 310 B11R1.222 NC1=C(C(=O)CCl)C=CC=C1 72272 [0,1,1,0,0,0|2,0,0]=4 311 B11R1.222 NCC(=O)C1=C(Br)C=CC=C1 W17616 [0,1,1,0,0,0|2,0,0]=4 312 B11R1.222 O=C(CCl)C1=C(Cl)C=CC=C1 D71120 [0,1,1,0,0,0|2,0,0]=4 313 B11R1.222 O=C(CO)C1=C(Br)C=CC=C1 AC7495 [0,1,1,0,0,0|2,0,0]=4 314 B11R1.222 O=C(CO)C1=C(F)C=CC=C1 AC5617 [0,1,1,0,0,0|2,0,0]=4 315 B11R1.222 O=C(CO)C1=C(I)C=CC=C1 AC7053 [0,1,1,0,0,0|2,0,0]=4 316 B11R1.1 O=CNCC1=CC=C(Cl)C=C1 AB6809 [0,1,1,0,0,0|1,0,0]=3 317 B11R1.17 O=C\C=C\C1=C(Br)C=CC=C1 W16727 [0,1,1,0,0,0|1,0,1]=4 318 B11R1.17 O=C\C=C\C1=C(O)C=CC=C1 D90980 [0,1,1,0,0,0|1,0,1]=4 319 B11R1.24 CC1=CC=CC(CCC=O)=C1 C10532 [0,1,1,0,0,0|1,0,0]=3 320 B11R1.24 CCOCC1=CC=CC(Br)=C1 F17773 [0,1,1,0,0,0|1,0,1]=4 321 B11R1.24 O=CCCC1=CC(O)=CC=C1 F19734 [0,1,1,0,0,0|1,0,0]=3 322 B11R1.24 O=CNCC1=CC=CC(F)=C1 Y10034 [0,1,1,0,0,0|1,0,0]=3 323 B11R1.24 O=C\C=C\C1=CC=CC(F)=C1 FD10704 [0,1,1,0,0,0|1,0,1]=4 324 B11R1.40 C[C@H](C=O)CC1=CC=CC=C1 F16111 [0,1,1,0,0,0|1,0,0]=3 325 B11R1.91 CC(=O)CCC1=CC=NC=C1 AT24518 [0,1,1,0,0,0|2,0,0]=4 326 B11R1.91 N=C(N)NCC1=CC=CC=C1 S12114 [0,1,1,0,0,0|2,0,0]=4 327 B11R1.91 NC(=O)CCC1=NC=CC=C1 AC6900 [0,1,1,0,0,0|2,0,0]=4 328 B11R1.91 NC(N)=NCC1=CC=CC=C1 H10078 [0,1,1,0,0,0|2,0,0]=4 329 B11R1.37 CSC1=C(CO)C=CC(Br)=C1 94653 [0,1,1,0,0,0|2,0,0]=4 330 B11R1.37 N#CC1=C(CO)C=CC(Br)=C1 51981 [0,1,1,0,0,0|1,0,1]=4 331 B11R1.37 N#CC1=C(CO)C=CC(N)=C1 51979 [0,1,1,0,0,0|1,0,1]=4 332 B11R1.37 O=CC1=C(CBr)C=C(Br)C=C1 F20272 [0,1,1,0,0,0|1,0,0]=3 333 B11R1.37 OCC1=C(CO)C=C(Cl)C=C1 Y11494 [0,1,1,0,0,0|0,0,2]=4 334 B11R1.37 OCC1=C(CO)C=C(F)C=C1 AB10273 [0,1,1,0,0,0|0,0,2]=4 335 B11R1.41 CCC1=C(CCO)C=CC=C1 C15362 [0,1,1,0,0,0|1,0,1]=4 336 B11R1.53 C=CC1=C(C(=O)O)C=CC=C1 O10854 [0,1,1,0,0,0|1,0,1]=4 337 B11R1.53 CCC1=C(C(C)=O)C=CN=C1 CL0371 [0,1,1,0,0,0|2,0,0]=4 338 B11R1.53 CCC1=C(C(N)=S)C=CC=C1 F13433 [0,1,1,0,0,0|1,1,0]=4 339 B11R1.53 C[C@H](N)C1=C(CO)C=CC=C1 Y13010 [0,1,1,0,0,0|1,0,1]=4 340 B11R1.53 C[C@H](O)C1=C(C#N)C=CC=C1 C73535 [0,1,1,0,0,0|1,0,1]=4 341 B11R1.53 N#CC1=C(C(=O)Cl)C=CC=C1 D87858 [0,1,1,0,0,0|1,0,1]=4 342 B11R1.53 N#CC1=C(C(N)=O)C=CC=C1 T70416 [0,1,1,0,0,0|1,0,1]=4 343 B11R1.53 O=C(O)C1=NC=CC=C1CO D77137 [0,1,1,0,0,0|1,0,0]=3 344 B11R1.53 O=C([O-])C1=NC=CC=C1CO AT20000 [0,1,1,0,0,0|1,0,0]=3 345 B11R1.53 O=CC1=C(C(=O)O)C=CC=N1 O10788 [0,1,1,0,0,0|1,0,1]=4 346 B11R1.53 O=CC1=C(C(F)F)C=CC=C1 O10520 [0,1,1,0,0,0|1,0,0]=3 347 B11R1.53 O=CC1=C(C(F)F)C=NC=C1 AT13163 [0,1,1,0,0,0|2,0,0]=4 348 B11R1.53 O=CC1=CC=CN=C1C(=O)O D87924 [0,1,1,0,0,0|1,0,1]=4 349 B11R1.53 OCC1=C(C(F)F)C=CC=C1 AT10623 [0,1,1,0,0,0|1,0,1]=4 350 B11R1.265 COC1=C(Br)C=CC=C1CO W15450 [0,1,1,0,0,0|2,0,0]=4 351 B11R1.265 COC1=C(C=O)C(N)=CC=C1 F15854 [0,1,1,0,0,0|2,0,0]=4 352 B11R1.265 COC1=C(CO)C(N)=CC=C1 AC4741 [0,1,1,0,0,0|2,0,0]=4 353 B11R1.265 COC1=C(CO)C=CC=C1C N12737 [0,1,1,0,0,0|2,0,0]=4 354 B11R1.156 CC(=O)C1=C(Br)C=CC=C1N C75622 [0,1,1,0,0,0|2,0,0]=4 355 B11R1.156 CC1=CC=CC(Br)=C1C(N)=O F13400 [0,1,1,0,0,0|1,0,0]=3 356 B11R1.156 CC1=CC=CC(Cl)=C1C(=N)N F13421 [0,1,1,0,0,0|2,0,0]=4 357 B11R1.156 CC1=CC=CC(I)=C1C(=O)O 81915 [0,1,1,0,0,0|0,0,0]=2 358 B11R1.156 CC1=CN=CC(Br)=C1C(=O)O 51801 [0,1,1,0,0,0|1,0,0]=3 359 B11R1.156 CC1=CN=CC(N)=C1C(=O)O W11192 [0,1,1,0,0,0|1,0,0]=3 360 B11R1.156 CC1=NC=CC(Cl)=C1C(=O)O C16695 [0,1,1,0,0,0|1,0,0]=3 361 B11R1.156 NC(=O)C1=C(Br)C=CC=C1N AC2939 [0,1,1,0,0,0|2,0,0]=4 362 B11R1.156 NC(=O)C1=C(F)C=CC=C1O C13392 [0,1,1,0,0,0|2,0,0]=4 363 B11R1.156 NC1=CC=CC(O)=C1C(=O)O 26442 [0,1,1,0,0,0|1,0,0]=3 364 B11R1.156 O=C(Cl)C1=C(I)C=CC=C1Cl F20996 [0,1,1,0,0,0|2,0,0]=4 365 B11R1.159 CC(=O)C1=C(C)C(N)=CC=C1 O10268 [0,1,1,0,0,0|1,0,0]=3 366 B11R1.159 CC(=O)C1=C(C)C(O)=CC=C1 C76227 [0,1,1,0,0,0|1,0,0]=3 367 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1I 94553 [0,1,1,0,0,0|2,0,0]=4 368 B11R1.159 CC(=O)C1=CC=CC(O)=C1F AT11003 [0,1,1,0,0,0|2,0,0]=4 369 B11R1.159 CC1=C(C(N)=O)C=CC=C1N 93043 [0,1,1,0,0,0|1,0,0]=3 370 B11R1.159 CC1=C(O)C=CN=C1C(=O)O C11063 [0,1,1,0,0,0|1,0,0]=3 371 B11R1.159 CC1=C(O)N=CN=C1C(=O)O F52192 [0,1,1,0,0,0|2,0,0]=4 372 B11R1.159 CC1=CC=CC(C(N)=O)=C1Cl D87582 [0,1,1,0,0,0|2,0,0]=4 373 B11R1.159 CC1=CC=CC(C(N)=O)=C1O AC4144 [0,1,1,0,0,0|2,0,0]=4 374 B11R1.159 CC1=CN=CC(C(=O)O)=C1O AT13143 [0,1,1,0,0,0|2,0,0]=4 375 B11R1.159 CC1=NC=CC(C(=O)O)=C1C D87767 [0,1,1,0,0,0|1,0,0]=3 376 B11R1.159 NC(=O)C1=C(N)C(N)=CC=C1 F12396 [0,1,1,0,0,0|2,0,0]=4 377 B11R1.159 NC(=O)C1=CC=CC(S)=C1Cl 92372 [0,1,1,0,0,0|2,0,0]=4 378 B11R1.159 NC1=C(C(=O)O)C=CC=C1O T72518 [0,1,1,0,0,0|1,0,0]=3 379 B11R1.159 NC1=C(C(=O)O)C=CN=C1Br C11136 [0,1,1,0,0,0|2,0,0]=4 380 B11R1.159 O=C(O)C1=CC=CC(I)=C1O AT10718 [0,1,1,0,0,0|1,0,0]=3 381 B11R1.166 CC(=O)C1=C(Cl)C=C(C)C=C1 AT15339 [0,1,1,0,0,0|2,0,0]=4 382 B11R1.166 CC(=O)C1=C(O)C=C(I)C=C1 62926 [0,1,1,0,0,0|2,0,0]=4 383 B11R1.166 CC(=O)C1=CN=C(Br)C=C1C D80175 [0,1,1,0,0,0|2,0,0]=4 384 B11R1.166 CC1=C(C(=N)N)C=CC(Br)=C1 56645 [0,1,1,0,0,0|2,0,0]=4 385 B11R1.166 CC1=C(C(N)=O)C=CC(Br)=C1 F13688 [0,1,1,0,0,0|1,0,0]=3 386 B11R1.166 CC1=CC(Cl)=NC=C1C(N)=O D85781 [0,1,1,0,0,0|2,0,0]=4 387 B11R1.166 CC1=CC(F)=C(C(=O)O)C=N1 N17088 [0,1,1,0,0,0|2,0,0]=4 388 B11R1.166 CC1=CC(F)=CN=C1C(=O)O 55148 [0,1,1,0,0,0|1,0,0]=3 389 B11R1.166 CC1=CC(N)=C(C(=O)O)C=N1 25712 [0,1,1,0,0,0|2,0,0]=4 390 B11R1.166 CC1=CC=C(C(=O)O)C(Br)=N1 N12689 [0,1,1,0,0,0|2,0,0]=4 391 B11R1.166 NC1=C(C(=O)O)C=NC(O)=C1 35476 [0,1,1,0,0,0|2,0,0]=4 392 B11R1.166 NC1=CC(Br)=CN=C1C(=O)O 37099 [0,1,1,0,0,0|2,0,0]=4 393 B11R1.166 NC1=CC(Cl)=C(C(=O)O)N=C1 BL010122 [0,1,1,0,0,0|2,0,0]=4 394 B11R1.166 NC1=CC(I)=C(C(=O)O)C=C1 D87628 [0,1,1,0,0,0|1,0,0]=3 395 B11R1.166 NC1=NC(N)=C(C(=O)O)C=C1 AC4722 [0,1,1,0,0,0|2,0,0]=4 396 B11R1.166 O=C(Cl)C1=C(Br)C=C(F)C=C1 F17471 [0,1,1,0,0,0|2,0,0]=4 397 B11R1.166 O=C(O)C1=C(Cl)C=C(O)C=N1 BL010139 [0,1,1,0,0,0|2,0,0]=4 398 B11R1.166 O=C(O)C1=C(S)C=C(Br)C=C1 AT20781 [0,1,1,0,0,0|1,0,0]=3 399 B11R1.166 O=C(O)C1=C(S)C=C(F)C=C1 AT20779 [0,1,1,0,0,0|1,0,0]=3 400 B11R1.167 CC(=O)C1=C(C)C=CC(Cl)=C1 F52542 [0,1,1,0,0,0|1,0,0]=3 401 B11R1.167 CC(=O)C1=C(N)C=CC(O)=C1 32344 [0,1,1,0,0,0|2,0,0]=4 402 B11R1.167 CC1=C(B(O)O)C=C(Br)C=C1 N12928 [0,1,1,0,0,0|1,0,1]=4 403 B11R1.167 CC1=C(B(O)O)C=C(O)C=C1 D71410 [0,1,1,0,0,0|1,0,1]=4 404 B11R1.167 CC1=C(C(=N)N)C=C(F)C=C1 S11570 [0,1,1,0,0,0|2,0,0]=4 405 B11R1.167 CC1=C(C(=O)Cl)C=C(Br)C=C1 C15328 [0,1,1,0,0,0|1,0,0]=3 406 B11R1.167 CC1=C(C(=O)Cl)C=C(Cl)C=C1 F52326 [0,1,1,0,0,0|1,0,0]=3 407 B11R1.167 CC1=C(C(N)=O)C=C(Cl)C=C1 F52323 [0,1,1,0,0,0|1,0,0]=3 408 B11R1.167 CC1=CN=C(Br)C(C(=O)O)=C1 C16185 [0,1,1,0,0,0|2,0,0]=4 409 B11R1.167 CC1=NC(C(=O)O)=C(F)C=C1 FD10677 [0,1,1,0,0,0|2,0,0]=4 410 B11R1.167 NC1=CC(C(=O)O)=C(F)C=N1 97786 [0,1,1,0,0,0|2,0,0]=4 411 B11R1.167 NC1=CN=C(F)C=C1C(=O)O W19653 [0,1,1,0,0,0|2,0,0]=4 412 B11R1.167 O=C(Cl)C1=C(F)C=CC(Br)=C1 F17494 [0,1,1,0,0,0|2,0,0]=4 413 B11R1.167 O=C(Cl)C1=C(I)C=CC(Br)=C1 AC5820 [0,1,1,0,0,0|2,0,0]=4 414 B11R1.167 O=C(O)C1=C(S)C=CC(Br)=C1 S10260 [0,1,1,0,0,0|1,0,0]=3 415 B11R1.167 O=C(O)C1=C(S)C=CC(Cl)=C1 AT20778 [0,1,1,0,0,0|1,0,0]=3 416 B11R1.167 O=C(O)C1=CC(I)=CN=C1F 98093 [0,1,1,0,0,0|2,0,0]=4 417 B11R2.10 ClC1=CC2=C(C=CC=C2)O1 AC6512 [1,1,0,0,0,0|2,0,0]=4 418 B11R2.10 N=C1CC2=C(C=CC=C2)N1 30671 [1,1,0,0,0,0|2,0,0]=4 419 B11R2.10 NC1=CC2=C(C=CC=C2)N1 79767 [1,1,0,0,0,0|2,0,0]=4 420 B11R2.10 NC1=CC2=C(C=CC=C2)N1 F13373 [1,1,0,0,0,0|2,0,0]=4 421 B11R2.10 O=C1CC2=C(C=CC=C2)S1 A51238 [1,1,0,0,0,0|2,0,0]=4 422 B11R2.36 CC1=CC2=C(C=C1)CNC2 71833 [1,1,0,0,0,0|1,0,1]=4 423 B11R2.36 CC1=CC2=C(C=C1)CNC2 W10108 [1,1,0,0,0,0|1,0,1]=4 424 B11R2.36 ClC1=CC2=C(C=C1)OC=C2 A51024 [1,1,0,0,0,0|2,0,0]=4 425 B11R2.36 FC1=CC2=C(C=C1)CC=C2 N14223 [1,1,0,0,0,0|1,0,0]=3 426 B11R2.36 FC1=CC2=C(C=C1)CCC2 36515 [1,1,0,0,0,0|1,0,1]=4 427 B11R2.36 FC1=CC2=C(C=C1)SC=C2 P15215 [1,1,0,0,0,0|2,0,0]=4 428 B11R2.36 IC1=CC2=C(C=C1)CCC2 C12643 [1,1,0,0,0,0|1,0,1]=4 429 B11R2.36 IC1=CC2=C(C=C1)CNC2 32000 [1,1,0,0,0,0|1,0,1]=4 430 B11R2.36 IC1=CC2=NON=C2C=C1 D78653 [1,1,0,0,0,0|2,0,0]=4 431 B11R2.36 NC1=CC2=C(C=C1)CNC2 SC4171 [1,1,0,0,0,0|1,0,1]=4 432 B11R2.36 NC1=CC2=C(C=C1)OCC2 88994 [1,1,0,0,0,0|2,0,0]=4 433 B11R2.36 OC1=CC2=C(C=CS2)C=C1 A11012 [1,1,0,0,0,0|2,0,0]=4 434 B11R2.36 SC1=CC2=C(C=C1)NN=C2 F18088 [1,1,0,0,0,0|2,0,0]=4 435 B11R2.106 BrC1=C2CCOC2=CC=C1 F12556 [1,1,0,0,0,0|2,0,0]=4 436 B11R2.106 CC1=CC=CC2=C1CNC2 W10109 [1,1,0,0,0,0|1,0,1]=4 437 B11R2.106 ClC1=C2CCCC2=CC=C1 N13077 [1,1,0,0,0,0|1,0,1]=4 438 B11R2.106 ClC1=C2CNCC2=CC=C1 FD13081 [1,1,0,0,0,0|1,0,1]=4 439 B11R2.106 ClC1=C2OCCC2=CC=C1 F53809 [1,1,0,0,0,0|2,0,0]=4 440 B11R2.106 FC1=C2NCCC2=CC=C1 C73504 [1,1,0,0,0,0|2,0,0]=4 441 B11R2.106 IC1=C2CCOC2=CC=C1 E72245 [1,1,0,0,0,0|2,0,0]=4 442 B11R2.106 NC1=CC=CC2=C1C=NO2 D82709 [1,1,0,0,0,0|2,0,0]=4 443 B11R2.106 NC1=CC=CC2=NON=C12 D86125 [1,1,0,0,0,0|2,0,0]=4 444 B11R2.8 C[C@H]1CC2=C(C=CN2)C1=O 96727 [0,1,0,0,1,0|2,0,0]=4 445 B11R2.60 O=C1CCC2=C(Br)NC=C12 F12550 [0,1,0,0,1,0|2,0,0]=4 446 B11R2.202 O=C1OC(=O)C2=C1C=CS2 T72683 [0,1,0,0,1,0|1,0,1]=4 447 B11R2.988 NC[C@H]1CC2=C1C=CC=C2 AT20374 [0,1,0,0,1,0|1,0,1]=4 448 B11R2.988 OC[C@H]1CC2=C1C=CC=C2 67862 [0,1,0,0,1,0|0,0,2]=4 449 B13R2.32 CN1C(=O)CNC2=C1C=CC=C2 D76287 [0,1,0,0,0,1|2,0,0]=4 450 B13R2.32 N[C@@H]1C(=O)NCC2=C1C=CC=C2 C14948 [0,1,0,0,0,1|1,0,0]=3 451 B13R2.57 NC[C@H]1CC2=C(C=CC=C2)CO1 AC5741 [0,1,0,0,0,1|1,0,1]=4 452 B13R2.155 NC1=CC2=C(C=C1)COC(=O)N2 AC2800 [0,1,0,0,0,1|0,0,0]=2 453 B13R2.155 NC1=CC2=C(C=C1)NCC(=O)N2 51502 [0,1,0,0,0,1|2,0,0]=4 454 B13R2.155 NC1=CC2=C(C=C1)SCC(=O)N2 C91656 [0,1,0,0,0,1|2,0,0]=4 455 B13R2.155 O=C1C=CC2=C(C=C(F)C=C2)O1 D83247 [0,1,0,0,0,1|1,0,1]=4 456 B13R2.155 O=C1CCC2=C(C=C(Br)C=C2)O1 94712 [0,1,0,0,0,1|1,0,0]=3 457 B13R2.155 O=C1COC2=C(C=C(Cl)C=C2)C1 36498 [0,1,0,0,0,1|2,0,0]=4 458 B13R2.155 O=C1N=CC2=C(C=C(Br)C=C2)N1 F15807 [0,1,0,0,0,1|1,0,1]=4 459 B13R2.155 O=C1N=CC2=C(C=C(Cl)C=C2)N1 F15805 [0,1,0,0,0,1|1,0,1]=4 460 B13R2.155 O=C1N=CC2=C(C=C(F)C=C2)N1 F15808 [0,1,0,0,0,1|1,0,1]=4 461 B13R2.155 O=C1NC2=C(C=CC(F)=C2)CO1 AC4752 [0,1,0,0,0,1|0,0,0]=2 462 B13R2.155 O=C1NCC2=C(C=C(Br)C=C2)N1 I10948 [0,1,0,0,0,1|1,0,0]=3 463 B13R2.162 NC1=C2NC(=O)CCC2=CC=C1 O11667 [0,1,0,0,0,1|1,0,0]=3 464 B13R2.162 NC1=CC=CC2=C1NC(=O)OC2 AC4366 [0,1,0,0,0,1|0,0,0]=2 465 B13R2.162 O=C1CCC2=CC=CC(F)=C2C1 Y10670 [0,1,0,0,0,1|1,0,0]=3 466 B13R2.162 O=C1CSC2=CC=CC(Cl)=C2N1 H11555 [0,1,0,0,0,1|2,0,0]=4 467 B13R2.162 O=C1N=CC2=CC=CC(Cl)=C2N1 F15812 [0,1,0,0,0,1|1,0,1]=4 468 B13R2.162 O=C1NC2=C(Br)C=CC=C2CO1 AC4475 [0,1,0,0,0,1|0,0,0]=2 469 B13R2.162 O=C1NC2=C(Cl)C=CC=C2CO1 AC4791 [0,1,0,0,0,1|0,0,0]=2 470 B13R2.162 O=C1NC2=C(F)C=CC=C2CO1 AC4757 [0,1,0,0,0,1|0,0,0]=2 471 B13R2.222 CC1(C)NC2=C(C=CC=C2)CO1 60166 [0,1,0,0,0,1|1,0,1]=4 472 B13R2.328 C[C@H]1CC(=O)NC2=C1C=CC=C2 F18223 [0,1,0,0,0,1|1,0,0]=3 473 B13R2.328 NC1=C2C=CC=CC2=NC(=O)N1 25868 [0,1,0,0,0,1|1,0,1]=4 474 B13R2.328 O=C1C=C(Cl)C2=C(C=CC=C2)O1 D76212 [0,1,0,0,0,1|1,0,1]=4 475 B13R2.328 O=C1NC(=O)C2=C(C=CC=C2)S1 D73547 [0,1,0,0,0,1|1,0,1]=4 476 B13R2.369 CC1=CC2=C(C=CC=C2)NC1=O 58045 [0,1,0,0,0,1|1,0,1]=4 477 B13R2.369 C[C@@H]1SC2=C(C=CC=C2)NC1=O 77381 [0,1,0,0,0,1|2,0,0]=4 478 B13R2.369 NC1=NC2=C(C=CC=C2)NC1=O 38523 [0,1,0,0,0,1|2,0,0]=4 479 B13R2.369 N[C@H]1CC2=C(C=CC=C2)NC1=O 81089 [0,1,0,0,0,1|1,0,0]=3 480 B13R2.369 N[C@H]1CC2=C(C=CC=N2)NC1=O C13580 [0,1,0,0,0,1|2,0,0]=4 481 B13R2.369 N[C@H]1CC2=C(C=CN=C2)NC1=O C13586 [0,1,0,0,0,1|2,0,0]=4 482 B13R2.3683 CC1=CC2=C(C=C1)NC(=O)CO2 AC6060 [0,1,0,0,0,1|2,0,0]=4 483 B13R2.3683 CC1=CC2=C(C=C1)NC(=O)N=C2 F15802 [0,1,0,0,0,1|1,0,1]=4 484 B13R2.3683 NC1=CC2=C(C=C1)NC(=O)C=C2 P10166 [0,1,0,0,0,1|1,0,1]=4 485 B13R2.3683 NC1=CC2=C(C=C1)NC(=O)OC2 AC7323 [0,1,0,0,0,1|0,0,0]=2 486 B13R2.3683 O=C1COC2=C(C=CC(F)=C2)N1 25433 [0,1,0,0,0,1|2,0,0]=4 487 B13R2.3683 O=C1N=CC2=C(C=CC(Cl)=C2)N1 F15803 [0,1,0,0,0,1|1,0,1]=4 488 B13R2.3683 O=C1N=CC2=C(C=CC(F)=C2)N1 F15804 [0,1,0,0,0,1|1,0,1]=4 489 B13R2.3683 O=C1NC2=C(C=C(F)C=C2)CO1 AC4756 [0,1,0,0,0,1|0,0,0]=2 490 B13R2.3683 O=C1NC2=C(C=C(I)C=C2)CO1 AC5099 [0,1,0,0,0,1|0,0,0]=2 491 B13R2.3683 O=C1NC2=NC=C(Br)C=C2CO1 AC5930 [0,1,0,0,0,1|1,0,0]=3 492 B13R2.3683 O=C1NCC2=CC(Br)=CN=C2N1 S10295 [0,1,0,0,0,1|2,0,0]=4 493 B13R2.5179 NC1=CC=CC2=C1COC(=O)N2 AC2657 [0,1,0,0,0,1|0,0,0]=2 494 B13R2.5179 O=C1C=C2C=CC=C(Br)C2=CN1 P16671 [0,1,0,0,0,1|1,0,1]=4 495 B13R2.5179 O=C1C=C2C=CC=C(Cl)C2=CN1 D76504 [0,1,0,0,0,1|1,0,1]=4 496 B13R2.5179 O=C1C=CC2=C(Br)C=CC=C2O1 E70217 [0,1,0,0,0,1|1,0,1]=4 497 B13R2.5179 O=C1CCC2=C(C=CC=C2O)C1 88359 [0,1,0,0,0,1|1,0,0]=3 498 B13R2.5179 O=C1CCC2=C(F)C=CC=C2N1 69694 [0,1,0,0,0,1|1,0,0]=3 499 B13R2.5179 O=C1COC2=C(Br)C=CC=C2C1 50664 [0,1,0,0,0,1|2,0,0]=4 500 B13R2.5179 O=C1COC2=C(Br)C=CC=C2N1 69214 [0,1,0,0,0,1|2,0,0]=4 501 B13R2.5179 O=C1COC2=C(Cl)C=CC=C2N1 AC6385 [0,1,0,0,0,1|2,0,0]=4 502 B13R2.5179 O=C1CSC2=C(Br)C=CC=C2N1 69221 [0,1,0,0,0,1|2,0,0]=4 503 B13R2.5179 O=C1NC2=CC=CC(Cl)=C2CO1 AC4761 [0,1,0,0,0,1|0,0,0]=2 504 B13R2.5179 O=C1NCC2=C(Cl)C=CN=C2N1 82219 [0,1,0,0,0,1|2,0,0]=4 505 B13R2.2093 O=CC1=C2C=CC=CC=C2C=C1 T71265 [0,1,0,0,0,1|1,0,1]=4 506 B13R2.342 CC1=CC=CC2=C1SCCC2=O N16680 [0,1,0,0,0,1|1,0,0]=3 507 B13R2.342 NC1=CC=CC2=C1N=CNC2=O D74582 [0,1,0,0,0,1|1,0,1]=4 508 B13R2.342 O=C1C=CNC2=C(I)C=CC=C12 D87289 [0,1,0,0,0,1|1,0,1]=4 509 B13R2.342 O=C1CCNC2=C(F)C=CC=C12 N12619 [0,1,0,0,0,1|1,0,0]=3 510 B13R2.342 O=C1CCSC2=C(Cl)C=CC=C12 N12579 [0,1,0,0,0,1|1,0,0]=3 511 B13R2.342 O=C1CCSC2=C(F)C=CC=C12 N12578 [0,1,0,0,0,1|1,0,0]=3 512 B13R2.342 O=C1NC=CC2=C(F)C=CC=C12 F18879 [0,1,0,0,0,1|1,0,1]=4 513 B13R2.342 O=C1NC=CC2=C(I)C=CC=C12 F18906 [0,1,0,0,0,1|1,0,1]=4 514 B13R2.371 CN1C=CC(=O)C2=C1C=CC=C2 D86440 [0,1,0,0,0,1|1,0,1]=4 515 B13R2.371 CN1CCC(=O)C2=C1C=CC=C2 93242 [0,1,0,0,0,1|1,0,0]=3 516 B13R2.371 NC1=NNC(=O)C2=C1C=CC=C2 AT26552 [0,1,0,0,0,1|1,0,1]=4 517 B13R2.371 N[C@H]1CCC(=O)C2=C1C=CC=C2 73528 [0,1,0,0,0,1|1,0,0]=3 518 B13R2.371 O=C1CC[C@H](Br)C2=C1C=CC=C2 AT21616 [0,1,0,0,0,1|1,0,0]=3 519 B13R2.1613 O=C[C@@H]1CCOC2=C1C=CC=C2 F31210 [0,1,0,0,0,1|1,0,1]=4 520 B13R2.3122 O=S1(=O)CCNC2=C1C=CC=C2 AT25437 [0,1,0,0,0,1|2,0,0]=4 521 B13R2.3122 O=S1(=O)NCNC2=C1C=CC=C2 D74066 [0,1,0,0,0,1|2,0,0]=4 522 B13R2.4818 CC1=CC=CC2=C1C(=O)CCC2 F17727 [0,1,0,0,0,1|1,0,0]=3 523 B13R2.4818 O=C1C=CNC2=CC=CC(Br)=C12 W14715 [0,1,0,0,0,1|1,0,1]=4 524 B13R2.4818 O=C1NC=CC2=CC=CC(Cl)=C12 F18990 [0,1,0,0,0,1|1,0,1]=4 525 B13R2.4818 O=C1NC=CC2=CC=CC(I)=C12 F18971 [0,1,0,0,0,1|1,0,1]=4 526 B13R2.4818 O=C1NC=NC2=CC=CC(I)=C12 FD13093 [0,1,0,0,0,1|1,0,1]=4 527 B13R2.1 O=C=NC1=CNC2=C1C=CC=C2 C80026 [0,2,0,0,0,0|2,0,0]=4 528 B13R2.9 O=CC1=CNC2=C(I)C=CC=C12 F15910 [0,2,0,0,0,0|2,0,0]=4 529 B13R2.9 O=CC1=COC2=C(Br)C=CC=C12 93461 [0,2,0,0,0,0|2,0,0]=4 530 B13R2.9 O=CC1=NNC2=C(F)C=CC=C12 F17854 [0,2,0,0,0,0|2,0,0]=4 531 B13R2.72 CC(=O)C1=COC2=C1C=CC=C2 W16116 [0,2,0,0,0,0|2,0,0]=4 532 B13R2.72 NC(=O)C1=COC2=C1C=CC=C2 AC7458 [0,2,0,0,0,0|2,0,0]=4 533 B13R2.72 NC(=O)[C@@H]1CCC2=C1C=CC=C2 81814 [0,2,0,0,0,0|1,0,1]=4 534 B13R2.72 O=C(O)C1=C2C=CC=CC2=CN1 F30599 [0,2,0,0,0,0|1,0,1]=4 535 B13R2.72 O=C(O)C1=C2C=CC=CC2=NO1 30091 [0,2,0,0,0,0|1,0,0]=3 536 B13R2.72 O=C(O)[C@@H]1NCC2=C1C=CC=C2 D88113 [0,2,0,0,0,0|1,0,1]=4 537 B13R2.72 O=[N+]([O-])C1=NNC2=C1C=CC=C2 H10585 [0,2,0,0,0,0|2,0,0]=4 538 B13R2.135 O=CC1=C(Br)SC2=C1C=CC=C2 C75017 [0,2,0,0,0,0|2,0,0]=4 539 B13R2.135 O=CC1=C(Cl)CC2=C1C=CC=C2 AC9182 [0,2,0,0,0,0|1,0,0]=3 540 B13R2.662 NC1=CC2=C(C=C1)C(C=O)=CN2 F15902 [0,2,0,0,0,0|2,0,0]=4 541 B13R2.662 NC1=CC2=C(C=C1)C(C=O)=NN2 P10507 [0,2,0,0,0,0|2,0,0]=4 542 B13R2.662 O=CC1=CNC2=C1C=CC(I)=C2 F15904 [0,2,0,0,0,0|2,0,0]=4 543 B13R2.662 O=CC1=CNC2=C1C=CC(O)=C2 D77285 [0,2,0,0,0,0|2,0,0]=4 544 B13R2.662 O=CC1=COC2=C1C=CC(Br)=C2 93446 [0,2,0,0,0,0|2,0,0]=4 545 B13R2.662 O=CC1=NOC2=C1C=CC(Br)=C2 93320 [0,2,0,0,0,0|2,0,0]=4 546 B13R2.662 O=CC1=NOC2=C1C=CC(Cl)=C2 93318 [0,2,0,0,0,0|2,0,0]=4 547 B13R2.2091 CC1=C2C(=CC=C1)NN=C2C=O 76163 [0,2,0,0,0,0|2,0,0]=4 548 B13R2.2091 O=CC1=CNC2=CC=CC(I)=C12 F15912 [0,2,0,0,0,0|2,0,0]=4 549 B13R2.2091 O=CC1=COC2=CC=CC(Br)=C12 F30978 [0,2,0,0,0,0|2,0,0]=4 550 B13R2.2091 O=CC1=NNC2=CC=CC(Br)=C21 I11119 [0,2,0,0,0,0|2,0,0]=4 551 B13R2.2091 O=CC1=NNC2=CC=CC(F)=C21 O11228 [0,2,0,0,0,0|2,0,0]=4 552 B13R2.2091 O=CC1=NNC2=CC=CC(O)=C21 F17883 [0,2,0,0,0,0|2,0,0]=4 553 B13R2.2136 O=CC1=COC2=C1C=C(Br)C=C2 93450 [0,2,0,0,0,0|2,0,0]=4 554 B13R2.2931 CO[IH2]1OC(=O)C2=C1C=CC=C2 S11240 [0,2,0,0,0,0|1,0,0]=3 555 B13R2.2931 N#C[IH2]1OC(=O)C2=C1C=CC=C2 C73315 [0,2,0,0,0,0|1,0,0]=3 556 B13R2.45 CCN1CC2=CC=CN=C2C1=O F14442 [0,2,0,0,0,0|2,0,0]=4 557 B13R2.45 N#CC1=C(N)C2=C(C=CC=C2)C1 AC5129 [0,2,0,0,0,0|2,0,0]=4 558 B13R2.45 O=CC1=C(Cl)C2=C(C=CC=C2)C1 AC9120 [0,2,0,0,0,0|2,0,0]=4 559 B13R2.3028 CC1=CC2=C(C=C1)C[C@H](C)C2=O N12932 [0,2,0,0,0,0|1,0,0]=3 560 B13R2.3085 NN1C(=O)C2=C(C=CC=C2)C1=O S11319 [0,2,0,0,0,0|1,0,1]=4 561 B13R2.3085 O=C1C2=C(C=CC=C2)C(=O)C1Br N12387 [0,2,0,0,0,0|1,0,1]=4 562 B13R2.4825 CC1=CC=CC2=C1C[C@H](C)C2=O N14231 [0,2,0,0,0,0|1,0,0]=3 563 B13R2.4825 C[C@H]1CC2=C(Cl)C=CC=C2C1=O N13055 [0,2,0,0,0,0|1,0,0]=3 564 B13R2.4825 C[C@H]1CC2=C(F)C=CC=C2C1=O N14227 [0,2,0,0,0,0|1,0,0]=3 565 B13R2.4856 CC1=C2C(=O)[C@@H](C)CC2=CC=C1 N14233 [0,2,0,0,0,0|1,0,0]=3 566 B13R2.4856 CC1=CC=CC2=C1C(=O)C(=O)N2 30938 [0,2,0,0,0,0|2,0,0]=4 567 B13R2.4856 CN1CC2=NC=CC(Cl)=C2C1=O C92970 [0,2,0,0,0,0|2,0,0]=4 568 B13R2.4856 C[C@H]1CC2=CC=CC(Br)=C2C1=O N14230 [0,2,0,0,0,0|1,0,0]=3 569 B13R2.4856 C[C@H]1CC2=CC=CC(Cl)=C2C1=O N14229 [0,2,0,0,0,0|1,0,0]=3 570 B13R2.4856 C[C@H]1CC2=CC=CC(F)=C2C1=O N14228 [0,2,0,0,0,0|1,0,0]=3 571 B13R2.5190 CC1=CC2=C(C=C1)C(=O)[C@@H](C)C2 N14232 [0,2,0,0,0,0|1,0,0]=3 572 B13R2.5190 CN1NC2=C(C=CC(Br)=C2)C1=O 93768 [0,2,0,0,0,0|2,0,0]=4 573 B13R2.5190 C[C@H]1CC2=C(C=CC(Cl)=C2)C1=O N13213 [0,2,0,0,0,0|1,0,0]=3 574 B13R2.669 CCC1=CC2=C(C=C1)OCC2=O AC6735 [0,2,0,0,0,0|2,0,0]=4 575 B13R2.669 COC1=CC2=C(C=C1)COB2O D73941 [0,2,0,0,0,0|1,0,1]=4 576 B13R2.669 COC1=CC2=C(C=C1)ONC2=O D78696 [0,2,0,0,0,0|2,0,0]=4 577 B13R2.3742 CC1=C2CCC(=O)C2=CC(F)=C1 N11084 [0,2,0,0,0,0|1,0,0]=3 578 B13R2.3742 CC1=CC(Cl)=C2CCC(=O)C2=C1 N11141 [0,2,0,0,0,0|1,0,0]=3 579 B13R2.3742 CC1=CC(O)=CC2=C1CCC2=O F52795 [0,2,0,0,0,0|1,0,0]=3 580 B13R2.3742 NC1=C2CNC(=O)C2=CC(F)=C1 F17949 [0,2,0,0,0,0|1,0,0]=3 581 B13R2.3742 NC1=C2COC(=O)C2=CC(Cl)=C1 97735 [0,2,0,0,0,0|0,0,0]=2 582 B13R2.3742 NC1=C2COC(=O)C2=CC(F)=C1 97734 [0,2,0,0,0,0|0,0,0]=2 583 B13R2.3742 NC1=CC(F)=C2CNC(=O)C2=C1 F18706 [0,2,0,0,0,0|1,0,0]=3 584 B13R2.3742 O=C1CCC2=C(F)C=C(O)C=C12 F52797 [0,2,0,0,0,0|1,0,0]=3 585 B13R2.3742 O=C1COC2=C(Cl)C=C(Cl)C=C12 N12892 [0,2,0,0,0,0|2,0,0]=4 586 B13R2.3790 CC1=C(Cl)C=CC2=C1C(=O)CC2 Y10697 [0,2,0,0,0,0|1,0,0]=3 587 B13R2.3790 CC1=C(O)C=CC2=C1B(O)OC2 96816 [0,2,0,0,0,0|1,0,1]=4 588 B13R2.3790 O=C1CCC2=C1C(F)=C(Br)C=C2 94563 [0,2,0,0,0,0|1,0,0]=3 589 B13R2.3790 O=C1CCC2=C1C(F)=C(F)C=C2 C16578 [0,2,0,0,0,0|1,0,0]=3 590 B13R2.5187 C[C@@H]1NC(=O)C2=C1C=CC(Br)=C2 F13881 [0,2,0,0,0,0|1,0,0]=3 591 B13R2.5187 C[C@@H]1NC(=O)C2=C1C=CC(N)=C2 F13873 [0,2,0,0,0,0|1,0,0]=3 592 B13R2.5187 O=C1CC(=O)C2=C1C=CC(Br)=C2 D86839 [0,2,0,0,0,0|1,0,1]=4 593 B13R2.5187 O=C1O[C@@H](Br)C2=C1C=C(Br)C=C2 94688 [0,2,0,0,0,0|0,0,0]=2 594 B13R2.11634 CC1=C(Br)C=C2C(=O)OCC2=C1 C91273 [0,2,0,0,0,0|0,0,0]=2 595 B13R2.11634 CC1=C(Cl)C=C2CCC(=O)C2=C1 F52802 [0,2,0,0,0,0|1,0,0]=3 596 B13R2.11634 CC1=C(F)C=C2C(=O)CCC2=C1 F52767 [0,2,0,0,0,0|1,0,0]=3 597 B13R2.11634 CC1=C(F)C=C2CCC(=O)C2=C1 F52770 [0,2,0,0,0,0|1,0,0]=3 598 B13R2.11634 CC1=CC2=C(C=C1O)C(=O)CC2 F52796 [0,2,0,0,0,0|1,0,0]=3 599 B13R2.573 COC1=CC=CC2=C1COC2=O 76158 [0,2,0,0,0,0|0,0,0]=2 600 B13R2.573 COC1=CC=CC2=C1NNC2=O 32311 [0,2,0,0,0,0|2,0,0]=4 601 B13R2.573 OB1OCC2=C(CBr)C=CC=C12 97057 [0,2,0,0,0,0|1,0,1]=4 602 B13R2.573 OCC1=CC=CC2=C1COB2O 97056 [0,2,0,0,0,0|1,0,1]=4 603 B13R2.5151 CC1=C2C(=O)CCC2=C(Cl)C=C1 F52801 [0,2,0,0,0,0|1,0,0]=3 604 B13R2.5151 CC1=C2C(=O)CCC2=C(F)C=C1 N11082 [0,2,0,0,0,0|1,0,0]=3 605 B13R2.5151 CC1=C2CCC(=O)C2=C(Br)C=C1 F52765 [0,2,0,0,0,0|1,0,0]=3 606 B13R2.5151 CC1=C2CCC(=O)C2=C(C)C=C1 F52791 [0,2,0,0,0,0|1,0,0]=3 607 B13R2.5151 CC1=C2CNC(=O)C2=C(C)C=C1 80910 [0,2,0,0,0,0|1,0,0]=3 608 B13R2.5151 O=C1CCC2=C(F)C=CC(Cl)=C12 I10764 [0,2,0,0,0,0|1,0,0]=3 609 B13R2.5151 O=C1CCC2=C(O)C=CC(Br)=C12 F19152 [0,2,0,0,0,0|1,0,0]=3 610 B13R2.5180 CC1=C(C)C2=C(C=C1)C(=O)CC2 F52789 [0,2,0,0,0,0|1,0,0]=3 611 B13R2.5180 CC1=C(F)C2=C(C=C1)C(=O)CC2 F52768 [0,2,0,0,0,0|1,0,0]=3 612 B13R2.5180 CC1=C(F)C=CC2=C1CCC2=O F52766 [0,2,0,0,0,0|1,0,0]=3 613 B13R2.5180 CC1=C(N)C2=C(C=C1)C(=O)NC2 W10057 [0,2,0,0,0,0|1,0,0]=3 614 B13R2.5180 O=C1CCC2=C1C=CC(Cl)=C2I 93252 [0,2,0,0,0,0|1,0,0]=3 615 B13R2.5180 O=C1CSC2=C1C=CC(Cl)=C2Cl 93567 [0,2,0,0,0,0|2,0,0]=4 616 B13R2.582 COC1=C2C(=O)NNC2=CC=C1 F18745 [0,2,0,0,0,0|2,0,0]=4 617 B13R2.582 N#CC1=C2C(=O)NCC2=CC=C1 F18514 [0,2,0,0,0,0|1,0,0]=3 618 B13R2.582 O=CC1=C2B(O)OCC2=CC=C1 D80065 [0,2,0,0,0,0|1,0,1]=4 619 B13R2.582 O=CC1=C2C(=O)NCC2=CC=C1 F17992 [0,2,0,0,0,0|1,0,0]=3 620 B13R2.11642 CC1=C2C(=O)CCC2=CC(Cl)=C1 F52803 [0,2,0,0,0,0|1,0,0]=3 621 B13R2.11642 CC1=C2C(=O)CCC2=CC(F)=C1 F52771 [0,2,0,0,0,0|1,0,0]=3 622 B13R2.11642 CC1=C2C(=O)OCC2=CC(O)=C1 S10279 [0,2,0,0,0,0|0,0,0]=2 623 B13R2.11642 CC1=CC(F)=C2C(=O)CCC2=C1 C14522 [0,2,0,0,0,0|1,0,0]=3 624 B13R2.11642 NC1=CC(F)=C2C(=O)NNC2=C1 P13598 [0,2,0,0,0,0|2,0,0]=4 625 B13R2.11642 O=C1CCC2=CC(Cl)=CC(Br)=C12 F52758 [0,2,0,0,0,0|1,0,0]=3 626 B13R2.11642 O=C1NCC2=CC(F)=CC(F)=C12 D71998 [0,2,0,0,0,0|1,0,0]=3 627 B13R2.11642 O=C1NNC2=CC(Br)=CC(F)=C12 D87557 [0,2,0,0,0,0|2,0,0]=4 628 B13R2.11642 O=C1OCC2=CC(Br)=CC(F)=C12 O11384 [0,2,0,0,0,0|0,0,0]=2 629 B13R2.2130 C=CC1=CC2=C(C=C1)C(=O)OC2 S10783 [0,2,0,0,0,0|0,0,0]=2 630 B13R2.2130 COC1=CC2=C(C=C1)B(O)OC2 F53636 [0,2,0,0,0,0|1,0,1]=4 631 B13R2.2130 COC1=CC2=C(C=C1)C(=O)NO2 D78694 [0,2,0,0,0,0|2,0,0]=4 632 B13R2.2130 COC1=CN=C2C(=O)NCC2=C1 F52600 [0,2,0,0,0,0|2,0,0]=4 633 B13R2.2130 CSC1=CC2=C(C=C1)C(=O)CC2 79916 [0,2,0,0,0,0|1,0,0]=3 634 B13R2.2130 N#CC1=CN=C2C(=O)CCC2=C1 85964 [0,2,0,0,0,0|2,0,0]=4 635 B13R2.12159 CC1(C)OC(=O)C2=C1C=CC=C2 A10944 [0,2,0,0,0,0|0,0,0]=2 636 B9R1.11 COC(=O)C1=NOC=C1 AT19828 [0,0,1,0,1,0|2,0,0]=4 637 B9R1.11 COC(=O)C1=NSC=C1 AT21127 [0,0,1,0,1,0|2,0,0]=4 638 B9R1.41 CC1=C(C(=O)O)SN=C1 AT21154 [0,0,1,0,1,0|2,0,0]=4 639 B9R1.41 CC1=CNC=C1C(=O)O 71038 [0,0,1,0,1,0|1,0,0]=3 640 B9R1.41 CC1=COC=C1C(=O)O 72440 [0,0,1,0,1,0|1,0,0]=3 641 B9R1.41 CC1=CSC=C1C(=O)Cl AT17065 [0,0,1,0,1,0|2,0,0]=4 642 B9R1.41 O=C(O)C1=C(Br)OC=C1 AT17113 [0,0,1,0,1,0|2,0,0]=4 643 B9R1.41 O=C(O)C1=CNC=C1Br AT16233 [0,0,1,0,1,0|2,0,0]=4 644 B9R1.41 O=C(O)C1=CSC=C1Cl AT14983 [0,0,1,0,1,0|2,0,0]=4 645 B11R1.86 CC(=O)NC1=C(C)N=CC=C1 F14250 [0,0,1,0,0,1|2,0,0]=4 646 B11R1.86 CC(=O)OC1=C(Br)C=CC=C1 F13222 [0,0,1,0,0,1|2,0,0]=4 647 B11R1.86 CC1=NC=CN=C1CC(=O)O A51230 [0,0,1,0,0,1|2,0,0]=4 648 B13R2.33 O=C1CCC2=C(CC1)N=CC=C2 AT25963 [0,0,0,0,0,2|2,0,0]=4 649 B13R2.163 O=C1CCNC2=C(C=CC=N2)N1 AC6767 [0,0,0,0,0,2|2,0,0]=4 650 B13R2.163 O=C1CCOC2=C(C=CC=C2)N1 W18693 [0,0,0,0,0,2|1,0,0]=3 651 B13R2.163 O=C1CNCC2=C(C=CC=C2)N1 D73440 [0,0,0,0,0,2|1,0,0]=3 652 B13R2.5252 C=C1CCCCC2=C1C=CC=C2 O11475 [0,0,0,0,0,2|2,0,0]=4 653 B13R2.5252 O=C1CCC=CC2=C1C=CC=C2 92612 [0,0,0,0,0,2|1,0,0]=3