0 B13R2.435 CC(O)C1=NC2=CC=CC=C2N1 BB52-0011 [0,0,0,0,0,0|2,0,1]=3 1 B13R2.435 CN(C)C1=NC2=C(C=CC=C2)N1 BB31-4481 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.435 NC(=O)C1=CC2=C(C=CC=C2)N1 BB32-0448 [0,0,0,0,0,0|1,0,0]=1 3 B13R2.435 NC(=O)C1=CC2=C(N=CC=C2)N1 BB32-1130 [0,0,0,0,0,0|2,0,0]=2 4 B13R2.435 NC(=O)C1=CC2=CC=CC=C2O1 BB52-4124 [0,0,0,0,0,0|2,0,0]=2 5 B13R2.435 NC(=O)C1=CN2C=CC=CC2=N1 BB32-2117 [0,0,0,0,0,0|2,0,1]=3 6 B13R2.435 NC(=O)C1=NC2=C(C=CC=C2)N1 BB31-5523 [0,0,0,0,0,0|2,0,0]=2 7 B13R2.435 NC(=O)C1=NN2C=CC=CC2=C1 BB31-6403 [0,0,0,0,0,0|2,0,1]=3 8 B13R2.435 NC(=S)C1=CC2=C(C=CC=C2)N1 BB32-3186 [0,0,0,0,0,0|1,1,0]=2 9 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)N1 BB32-0944 [0,0,0,0,0,0|1,0,0]=1 10 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)S1 BB31-4928 [0,0,0,0,0,0|2,0,0]=2 11 B13R2.435 O=C(O)C1=CC2=C(CCCC2)N1 BB31-1705 [0,0,0,0,0,0|0,0,4]=4 12 B13R2.435 O=C(O)C1=CN2C=CC=CC2=C1 BB32-1633 [0,0,0,0,0,0|2,0,0]=2 13 B13R2.435 O=C(O)C1=CN2C=CC=NC2=N1 BB31-4743 [0,0,0,0,0,0|2,0,1]=3 14 B13R2.435 O=C(O)C1=CN2N=CC=CC2=C1 BB31-5215 [0,0,0,0,0,0|3,0,0]=3 15 B13R2.435 O=C(O)C1=CN2N=CC=CC2=N1 BB31-3273 [0,0,0,0,0,0|2,0,1]=3 16 B13R2.435 O=C(O)C1=NN2C=CC=CC2=C1 BB51-0827 [0,0,0,0,0,0|1,0,1]=2 17 B13R2.435 O=C(O)C1=NN2C=CC=CC2=N1 BB31-6515 [0,0,0,0,0,0|2,0,1]=3 18 B13R2.435 O=[N+]([O-])C1=NC2=C(C=CC=C2)N1 BB32-3545 [0,0,0,0,0,0|2,0,1]=3 19 B12R2.32 CCC1=NC2=C(C=CC=C2)N1 BB51-3114 [1,0,0,0,0,0|2,0,1]=4 20 B12R2.32 CNC1=NC2=C(C=CC=C2)N1 BB32-0509 [1,0,0,0,0,0|3,0,0]=4 21 B12R2.32 NNC1=NC2=CC=CC=C2N1 BB52-0202 [1,0,0,0,0,0|3,0,0]=4 22 B12R2.32 O=CC1=CC2=C(C=CN=C2)N1 BB32-2985 [1,0,0,0,0,0|1,0,0]=2 23 B12R2.32 O=CC1=CC2=CC=CN=C2S1 BB32-2422 [1,0,0,0,0,0|2,0,0]=3 24 B12R2.32 O=CC1=CN2C=CC=NC2=N1 BB32-0674 [1,0,0,0,0,0|2,0,1]=4 25 B12R2.32 O=CC1CC2=C(C=CC=C2)C1 BB32-1577 [1,0,0,0,0,0|1,0,2]=4 26 B12R2.32 OCC1=NC2=CC=CC=C2N1 BB52-0010 [1,0,0,0,0,0|1,0,1]=3 27 B12R2.32 OC[C@@H]1CC2=C(C=CC=C2)N1 BB31-4454 [1,0,0,0,0,0|0,0,3]=4 28 B12R2.32 SCC1=NC2=CC=CC=C2N1 BB52-1002 [1,0,0,0,0,0|1,1,1]=4 29 B14R2.450 CC(=O)C1=C(N)C2=CC=CC=C2O1 BB52-8372 [0,1,0,0,0,0|2,0,0]=3 30 B14R2.450 CC1=C(C(=O)O)CC2=C1C=CC=C2 BB31-5807 [0,1,0,0,0,0|1,0,0]=2 31 B14R2.450 CC1=C(C(=O)O)N=C2C=CC=CN21 BB31-0832 [0,1,0,0,0,0|1,0,1]=3 32 B14R2.450 NC(=O)C1=C(Cl)C2=CC=CC=C2S1 BB52-4017 [0,1,0,0,0,0|2,0,0]=3 33 B14R2.450 NC1=C(C(=O)O)SC2=C1C=CC=C2 BB32-1371 [0,1,0,0,0,0|1,0,0]=2 34 B14R2.450 NC1=C(C(=O)O)SC2=NC=CC=C21 BB52-5905 [0,1,0,0,0,0|2,0,0]=3 35 B14R2.450 NC1=C(C(=O)O)SC2=NC=CN=C21 BB32-2983 [0,1,0,0,0,0|3,0,0]=4 36 B14R2.450 O=C(Cl)C1=C(Cl)C2=C(C=CC=C2)S1 BB52-5061 [0,1,0,0,0,0|2,0,0]=3 37 B14R2.450 O=[N+]([O-])C1=C(Br)C2=C(C=CC=C2)S1 BB31-3418 [0,1,0,0,0,0|2,0,1]=4 38 B14R2.789 NC1(C(=O)O)CC2=C(C=CC=C2)C1 BB31-8045 [0,1,0,0,0,0|1,0,2]=4 39 B14R2.972 COC(=N)C1=NC2=CC=CC=C2O1 BB52-8661 [0,1,0,0,0,0|2,0,1]=4 40 B14R2.972 COC(=O)C1=CC2=C(C=NC=C2)S1 BB31-8559 [0,1,0,0,0,0|2,0,0]=3 41 B14R2.972 COC(=O)C1=CC2=CC=CN=C2S1 BB32-0535 [0,1,0,0,0,0|2,0,0]=3 42 B14R2.972 COC(=O)C1=CN2C=CC=CC2=C1 BB32-0550 [0,1,0,0,0,0|2,0,0]=3 43 B14R2.972 COC(=O)C1=CN2C=CC=NC2=N1 BB52-8722 [0,1,0,0,0,0|2,0,1]=4 44 B14R2.972 COC(=O)C1=CN2N=CC=CC2=C1 BB31-9075 [0,1,0,0,0,0|3,0,0]=4 45 B14R2.972 COC(=O)C1=NN2C=CC=CC2=C1 BB31-6241 [0,1,0,0,0,0|1,0,1]=3 46 B14R2.3129 CC(C)(O)C1=NC2=CC=CC=C2N1 BB52-0173 [0,1,0,0,0,0|2,0,1]=4 47 B14R2.3129 O=S(=O)(O)C1=NC2=CC=CC=C2N1 BB52-0111 [0,1,0,0,0,0|2,0,0]=3 48 B14R2.4529 CC(=O)C1=CC2=C(C=C(Br)C=C2)O1 BB31-9406 [0,1,0,0,0,0|2,0,0]=3 49 B14R2.4529 CC(=O)C1=NC2=CC=C(Cl)C=C2N1 BB52-8617 [0,1,0,0,0,0|2,0,0]=3 50 B14R2.4529 CC(O)C1=NC2=CC(Br)=CC=C2N1 BB52-8525 [0,1,0,0,0,0|2,0,1]=4 51 B14R2.4529 CC(O)C1=NC2=CC(Cl)=CC=C2N1 BB52-9291 [0,1,0,0,0,0|2,0,1]=4 52 B14R2.4529 CC(O)C1=NC2=CC(N)=CC=C2N1 BB52-0213 [0,1,0,0,0,0|2,0,1]=4 53 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)O2 BB31-7591 [0,1,0,0,0,0|1,0,0]=2 54 B14R2.4529 CC1=CC2=C(C=C1)OC(B(O)O)=C2 BB31-9972 [0,1,0,0,0,0|2,0,1]=4 55 B14R2.4529 CC1=CC2=C(C=C1)OC(C(=O)O)=C2 BB31-0318 [0,1,0,0,0,0|1,0,0]=2 56 B14R2.4529 CC1=CC2=C(C=C1)SC(B(O)O)=C2 BB31-9525 [0,1,0,0,0,0|2,0,1]=4 57 B14R2.4529 CC1=CC2=C(N=C1)NC(C(=O)O)=C2 BB31-5257 [0,1,0,0,0,0|1,0,0]=2 58 B14R2.4529 CC1=CC=C2NC(C(C)O)=NC2=C1 BB52-0002 [0,1,0,0,0,0|2,0,1]=4 59 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)O1 BB32-2611 [0,1,0,0,0,0|1,0,0]=2 60 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)O1 BB31-4369 [0,1,0,0,0,0|1,0,0]=2 61 B14R2.4529 O=C(O)C1=CC2=C(C=C(O)C=C2)O1 BB31-4948 [0,1,0,0,0,0|1,0,0]=2 62 B14R2.4529 O=C(O)C1=CC2=C(N=C(Cl)C=C2)N1 BB31-4833 [0,1,0,0,0,0|1,0,0]=2 63 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2N1 BB31-2334 [0,1,0,0,0,0|1,0,0]=2 64 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CN=C2N1 BB31-6840 [0,1,0,0,0,0|1,0,0]=2 65 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=NC=C2N1 BB31-6928 [0,1,0,0,0,0|1,0,0]=2 66 B14R2.4529 O=C(O)C1=CC2=CC(F)=CN=C2N1 BB31-7332 [0,1,0,0,0,0|1,0,0]=2 67 B14R2.4529 O=C(O)C1=CC2=CN=C(Cl)C=C2N1 BB31-5024 [0,1,0,0,0,0|1,0,0]=2 68 B14R2.4529 O=C(O)C1=CC2=NC=C(Br)C=C2N1 BB31-1436 [0,1,0,0,0,0|1,0,0]=2 69 B14R2.4529 O=C(O)C1=CC2=NC=C(Cl)C=C2N1 BB31-9359 [0,1,0,0,0,0|1,0,0]=2 70 B14R2.4529 O=C(O)C1=CN2C=CC(Br)=CC2=N1 BB31-0259 [0,1,0,0,0,0|1,0,1]=3 71 B14R2.4529 O=C(O)C1=NC2=C(C=CC(Cl)=C2)S1 BB32-1381 [0,1,0,0,0,0|1,0,1]=3 72 B14R2.4529 O=C(O)C1=NC2=CC(Cl)=CC=C2N1 BB52-8433 [0,1,0,0,0,0|1,0,0]=2 73 B14R2.4529 O=C(O)C1=NC2=CC(F)=CC=C2N1 BB52-8434 [0,1,0,0,0,0|1,0,0]=2 74 B14R2.4529 O=C(O)C1CC2=C(C=CC(Cl)=C2)N1 BB31-0317 [0,1,0,0,0,0|0,0,2]=3 75 B14R2.4529 OB(O)C1=CC2=C(C=CC(Cl)=C2)O1 BB32-1157 [0,1,0,0,0,0|2,0,1]=4 76 B14R2.4529 OB(O)C1=CC2=C(C=CC(F)=C2)O1 BB32-2720 [0,1,0,0,0,0|2,0,1]=4 77 B14R2.7969 CC1=C2N=C(C(C)O)NC2=CC=C1 BB52-8725 [0,1,0,0,0,0|2,0,1]=4 78 B14R2.7969 CC1=CC=CC2=C1C=C(C(=O)O)S2 BB31-3400 [0,1,0,0,0,0|1,0,0]=2 79 B14R2.7969 CC1=CC=CC2=C1OC(C(=O)O)=C2 BB32-0840 [0,1,0,0,0,0|1,0,0]=2 80 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CC=C2N1 BB52-6028 [0,1,0,0,0,0|0,0,0]=1 81 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CN=C2N1 BB32-0067 [0,1,0,0,0,0|1,0,0]=2 82 B14R2.7969 O=C(O)C1=CC2=C(N1)C(O)=CC=C2 BB31-6787 [0,1,0,0,0,0|0,0,0]=1 83 B14R2.7969 O=C(O)C1=CC2=C(N=CN=C2Cl)N1 BB31-0220 [0,1,0,0,0,0|2,0,0]=3 84 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2N1 BB52-6029 [0,1,0,0,0,0|0,0,0]=1 85 B14R2.7969 O=C(O)C1=CC2=CC=CC(F)=C2N1 BB52-6030 [0,1,0,0,0,0|0,0,0]=1 86 B14R2.7969 O=C(O)C1CC2=CC=CC(Br)=C2C1 BB31-4132 [0,1,0,0,0,0|1,0,2]=4 87 B14R2.7969 OB(O)C1=CC2=CC=CC(Br)=C2N1 BB31-7199 [0,1,0,0,0,0|1,0,1]=3 88 B12R1.43 C[C@H](NC1=CC=CC=C1)C(=O)O BB31-3006 [0,0,1,0,0,0|0,0,2]=3 89 B12R1.43 O=C(O)[C@H](Br)CC1=CC=CC=C1 BB31-7674 [0,0,1,0,0,0|1,0,2]=4 90 B12R1.125 O=C(O)C#CC1=C(F)C=CC=C1 BB32-3709 [0,0,1,0,0,0|1,0,2]=4 91 B12R2.252 O=C(O)C1=CC2=C(N1)SC=C2 BB32-2687 [0,0,0,0,1,0|1,0,0]=2 92 B12R2.252 O=C(O)C1=CN2C=CN=C2S1 BB31-8661 [0,0,0,0,1,0|3,0,0]=4 93 B12R2.3190 O=C(O)C1CC2=C1C=CC=C2 BB31-2766 [0,0,0,0,1,0|0,0,2]=3 94 B14R2.768 O=C(O)CC1=NC2=CC=CC=C2N1 BB52-0905 [0,0,0,0,0,1|1,0,0]=2 95 B14R2.781 CC(=O)C1=CC2=CC=CC=C2N=C1 BB31-5758 [0,0,0,0,0,1|1,0,1]=3 96 B14R2.781 O=C(O)C1=CC2=CC=CC=C2OC1 BB51-1488 [0,0,0,0,0,1|1,0,0]=2 97 B14R2.781 O=C(O)C1=CC2=CC=CN=C2N=C1 BB31-9318 [0,0,0,0,0,1|1,0,1]=3 98 B14R2.781 O=C(O)C1=CC2=CC=NC=C2C=C1 BB31-4766 [0,0,0,0,0,1|2,0,0]=3 99 B14R2.781 O=C(O)C1=CC2=CN=CC=C2C=C1 BB31-4784 [0,0,0,0,0,1|2,0,0]=3 100 B14R2.781 O=C(O)C1=CC2=CN=CC=C2N=C1 BB31-0243 [0,0,0,0,0,1|1,0,1]=3 101 B14R2.781 O=C(O)C1CNC2=C(C=CC=C2)C1 BB31-0567 [0,0,0,0,0,1|0,0,2]=3 102 B14R2.781 OB(O)C1=NC2=CC=CC=C2C=C1 BB31-6291 [0,0,0,0,0,1|1,0,2]=4 103 B11R1.40 O=C(CO)NC1=CC=CC=C1 BB32-2558 [1,0,1,0,0,0|1,0,1]=4 104 B11R1.91 NC(=O)CNC1=CC=CC=C1 BB32-1447 [1,0,1,0,0,0|1,0,1]=4 105 B11R2.10 BrC1=CC2=C(C=CC=C2)N1 BB31-2458 [2,0,0,0,0,0|1,0,0]=3 106 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 BB32-2216 [2,0,0,0,0,0|2,0,0]=4 107 B11R2.10 BrC1=CC2=C(N=CC=C2)N1 BB31-7908 [2,0,0,0,0,0|2,0,0]=4 108 B11R2.10 IC1=CC2=C(C=CC=C2)N1 BB31-4420 [2,0,0,0,0,0|1,0,0]=3 109 B11R2.10 IC1=CC2=C(C=CC=C2)S1 BB32-1612 [2,0,0,0,0,0|2,0,0]=4 110 B11R2.10 IC1=CC2=C(C=CN=C2)N1 BB31-0835 [2,0,0,0,0,0|2,0,0]=4 111 B11R2.10 O=C1CC2=C(C=CC=N2)N1 BB31-4947 [2,0,0,0,0,0|1,0,1]=4 112 B11R2.10 O=C1CC2=C(C=NC=C2)N1 BB32-2391 [2,0,0,0,0,0|1,0,1]=4 113 B11R2.10 O=C1NC2=C(C=NC=C2)O1 BB32-3787 [2,0,0,0,0,0|2,0,0]=4 114 B11R2.10 S=C1CC2=C(C=CC=C2)N1 BB32-2281 [2,0,0,0,0,0|0,1,1]=4 115 B13R1.148 N[C@@H](CC1=CC=CC(I)=C1)C(=O)O BB31-4114 [0,1,1,0,0,0|0,0,2]=4 116 B13R1.418 NC[C@@H](CC1=CC=CC=C1)C(=O)O BB31-3737 [0,1,1,0,0,0|0,0,2]=4 117 B13R1.90 COC1=C(\C=C\C(=O)O)C=CC=N1 BB31-1900 [0,1,1,0,0,0|2,0,0]=4 118 B13R1.164 NC(=O)\C=C\C1=C(Cl)C=C(Cl)C=C1 BB12-5131 [0,1,1,0,0,0|2,0,0]=4 119 B13R1.164 O=C(Cl)\C=C\C1=C(Cl)C=C(Cl)C=C1 BB12-5132 [0,1,1,0,0,0|2,0,0]=4 120 B13R1.164 OC(=O)\C=C\C1=CC=C(Cl)C=C1Cl BB12-5130 [0,1,1,0,0,0|1,0,0]=3 121 B13R1.3787 CC1=CC=CC(C)=C1NCC(=O)O BB31-8478 [0,1,1,0,0,0|0,0,2]=4 122 B13R2.26 OCCC1=NC2=CC=CC=C2N1 BB52-0012 [1,1,0,0,0,0|1,0,1]=4 123 B13R2.43 CC1=CC2=C(C=C1)NC(C=O)=C2 BB31-2585 [1,1,0,0,0,0|0,0,0]=2 124 B13R2.43 CC1=CC=C2NC(CO)=NC2=C1 BB52-0001 [1,1,0,0,0,0|1,0,1]=4 125 B13R2.43 N#CC1=CC2=C(C=CC(Br)=C2)N1 BB31-7452 [1,1,0,0,0,0|1,0,1]=4 126 B13R2.43 NC1=CC=C2NC(CO)=NC2=C1 BB52-0212 [1,1,0,0,0,0|1,0,1]=4 127 B13R2.43 NCC1=CC2=C(C=CC(Cl)=C2)N1 BB31-4176 [1,1,0,0,0,0|1,0,1]=4 128 B13R2.43 O=CC1=CC2=C(C=C(Br)C=C2)S1 BB31-3983 [1,1,0,0,0,0|1,0,0]=3 129 B13R2.43 O=CC1=CC2=C(C=CC(Br)=C2)O1 BB31-4208 [1,1,0,0,0,0|1,0,0]=3 130 B13R2.43 O=CC1=CC2=C(C=CC(Br)=C2)S1 BB31-6959 [1,1,0,0,0,0|1,0,0]=3 131 B13R2.43 O=CC1=CC2=C(C=CC(Cl)=C2)N1 BB32-2232 [1,1,0,0,0,0|0,0,0]=2 132 B13R2.43 O=CC1=CC2=CC(Br)=CC=C2N1 BB52-6080 [1,1,0,0,0,0|0,0,0]=2 133 B13R2.43 O=CC1=CN2C=C(F)C=CC2=N1 BB31-6481 [1,1,0,0,0,0|1,0,1]=4 134 B13R2.43 O=CC1=CN2C=CC(Br)=CC2=N1 BB31-0252 [1,1,0,0,0,0|1,0,1]=4 135 B13R2.43 O=CC1=NC2=C(C=C(Br)C=C2)N1 BB31-6398 [1,1,0,0,0,0|1,0,0]=3 136 B13R2.43 O=CC1=NC2=C(C=C(F)C=C2)N1 BB31-6397 [1,1,0,0,0,0|1,0,0]=3 137 B13R2.43 OCC1=CC2=C(C=C(Cl)C=C2)S1 BB32-1102 [1,1,0,0,0,0|1,0,1]=4 138 B13R2.43 OCC1=CC2=C(C=CC(Br)=C2)O1 BB32-1394 [1,1,0,0,0,0|1,0,1]=4 139 B13R2.43 OCC1=CC2=CC(Br)=CC=C2N1 BB52-6083 [1,1,0,0,0,0|0,0,1]=3 140 B13R2.43 OCC1=NC2=CC(Br)=CC=C2N1 BB52-8524 [1,1,0,0,0,0|1,0,1]=4 141 B13R2.43 OCC1=NC2=CC(Cl)=CC=C2N1 BB52-9261 [1,1,0,0,0,0|1,0,1]=4 142 B13R2.45 CC1=C(C=O)NC2=C1C=CC=C2 BB32-2202 [1,1,0,0,0,0|0,0,0]=2 143 B13R2.45 CN1C(CN)=CC2=C1C=CC=C2 BB32-2683 [1,1,0,0,0,0|1,0,1]=4 144 B13R2.45 CN1C2=CC=CC=C2N=C1C=O BB52-0062 [1,1,0,0,0,0|1,0,0]=3 145 B13R2.45 CN1C2=CC=CC=C2N=C1CO BB52-0030 [1,1,0,0,0,0|1,0,1]=4 146 B13R2.54 CC1=CC=CN2C=C(C=O)N=C12 BB32-0547 [1,1,0,0,0,0|1,0,1]=4 147 B13R2.54 N#CC1=CC2=C(Br)C=CC=C2N1 BB31-7231 [1,1,0,0,0,0|1,0,1]=4 148 B13R2.54 N#CC1=CC2=CC=CC(Cl)=C2N1 BB31-1568 [1,1,0,0,0,0|1,0,1]=4 149 B13R2.54 O=CC1=CC2=C(Br)C=CC=C2N1 BB31-2034 [1,1,0,0,0,0|0,0,0]=2 150 B13R2.54 OCC1=CC2=CC=CC(Br)=C2S1 BB31-0520 [1,1,0,0,0,0|1,0,1]=4 151 B13R2.531 COC(=O)C1=CC2=C(C=CS2)N1 BB01-3299 [0,1,0,0,1,0|1,0,0]=3 152 B13R2.2334 CN1C(C(=O)O)=CC2=C1C=CO2 BB51-1025 [0,1,0,0,1,0|1,0,0]=3 153 B13R2.15272 COC(=O)C1CC2=C1C=CC=C2 BB32-2031 [0,1,0,0,1,0|0,0,2]=4 154 B15R2.629 CC1=C(CC(=O)O)SC2=CC=CC=C21 BB52-8279 [0,1,0,0,0,1|1,0,0]=3 155 B15R2.629 O=C(O)CN1SC2=CC=CC=C2C1=O BB51-1164 [0,1,0,0,0,1|2,0,0]=4 156 B15R2.627 O=C(O)C1=CNC2=CC=CC=C2C1=O BB52-3346 [0,1,0,0,0,1|0,0,0]=2 157 B15R2.627 O=C(O)C1=CSC2=NC=CC=C2C1=O BB31-2852 [0,1,0,0,0,1|2,0,0]=4 158 B15R2.984 CC1=CC2=CC=CC=C2N=C1C(=O)O BB31-7459 [0,1,0,0,0,1|0,0,1]=3 159 B15R2.984 CC1=NC2=CC=CC=C2C=C1C(=O)O BB52-1639 [0,1,0,0,0,1|0,0,1]=3 160 B15R2.984 CC1=NC2=CC=CC=C2N=C1C(=O)O BB31-5808 [0,1,0,0,0,1|0,0,1]=3 161 B15R2.984 CN1CC2=CC=CC=C2CC1C(=O)O BB52-3966 [0,1,0,0,0,1|0,0,2]=4 162 B15R2.984 NC(=O)C1=CC2=CC=CC=C2C=C1N BB32-1120 [0,1,0,0,0,1|2,0,0]=4 163 B15R2.984 O=C(O)C1=CC2=CC=CN=C2NC1=O BB32-2482 [0,1,0,0,0,1|1,0,0]=3 164 B15R2.984 O=C(O)C1=NC2=CC=CC=C2C=C1O BB31-7962 [0,1,0,0,0,1|0,0,1]=3 165 B15R2.1601 CCC(=O)C1=CC2=CC=CC=C2C=C1 BB32-3375 [0,1,0,0,0,1|2,0,0]=4 166 B15R2.1601 COC(=O)C1=CC2=CC=NC=C2C=C1 BB31-3392 [0,1,0,0,0,1|2,0,0]=4 167 B15R2.1601 COC(=O)C1=CC2=CN=CC=C2C=C1 BB31-3662 [0,1,0,0,0,1|2,0,0]=4 168 B15R2.1601 COC(=O)C1=NC2=CC=CC=C2N=C1 BB31-7788 [0,1,0,0,0,1|0,0,1]=3 169 B15R2.1601 COC(=O)C1CCC2=CC=CC=C2N1 BB52-0811 [0,1,0,0,0,1|0,0,2]=4 170 B15R2.7174 CC1=CC=C2C=CC(C(=O)O)=NC2=C1 BB31-7017 [0,1,0,0,0,1|0,0,1]=3 171 B15R2.7174 NC1=CC=C2C=CC(C(=O)O)=CC2=N1 BB31-9364 [0,1,0,0,0,1|2,0,0]=4 172 B15R2.7174 O=C(O)C1=CC2=CC(Br)=CC=C2OC1 BB51-1486 [0,1,0,0,0,1|1,0,0]=3 173 B15R2.7174 O=C(O)C1=CC2=CC(Cl)=CC=C2OC1 BB51-1487 [0,1,0,0,0,1|1,0,0]=3 174 B15R2.7174 O=C(O)C1=CC2=CC(O)=CC=C2C=C1 BB32-3568 [0,1,0,0,0,1|1,0,0]=3 175 B15R2.7174 O=C(O)C1=CN=C2C=CC(Cl)=CC2=C1 BB31-8386 [0,1,0,0,0,1|0,0,1]=3 176 B15R2.7174 O=C1C=CC2=C(C=C(C(=O)O)C=C2)N1 BB32-2140 [0,1,0,0,0,1|2,0,0]=4 177 B15R2.7174 O=C1C=CC2=C(C=C(C(=O)O)C=N2)N1 BB31-2930 [0,1,0,0,0,1|1,0,1]=4 178 B15R2.7180 CC(=O)C1=CC2=CC=C(N)C=C2C=C1 BB32-3845 [0,1,0,0,0,1|2,0,0]=4 179 B15R2.7180 O=C(O)C1=CC2=CC=C(O)C=C2N=C1 BB32-3825 [0,1,0,0,0,1|0,0,1]=3 180 B15R2.7180 O=C(O)C1=CC=C2C=C(Br)C=CC2=N1 BB31-7537 [0,1,0,0,0,1|0,0,1]=3 181 B15R2.7180 O=C(O)C1=CC=C2C=C(Br)C=NC2=C1 BB31-9684 [0,1,0,0,0,1|2,0,0]=4 182 B15R2.7180 O=C(O)C1=CC=C2C=C(Cl)C=CC2=C1 BB32-2555 [0,1,0,0,0,1|1,0,0]=3 183 B15R2.7180 O=C(O)C1=CC=C2C=C(Cl)C=CC2=N1 BB32-3485 [0,1,0,0,0,1|0,0,1]=3 184 B15R2.7180 O=C(O)C1=CC=C2C=C(F)C=CC2=N1 BB31-6566 [0,1,0,0,0,1|0,0,1]=3 185 B15R2.7180 O=C(O)C1=CC=C2N=C(Cl)C=CC2=C1 BB31-6791 [0,1,0,0,0,1|2,0,0]=4 186 B15R2.13598 NC1=C2N=CC(C(=O)O)=CC2=CC=C1 BB31-2704 [0,1,0,0,0,1|0,0,1]=3 187 B15R2.13598 O=C(O)C1=CC=C2C(=C1)C=CN=C2Cl BB31-1235 [0,1,0,0,0,1|2,0,0]=4 188 B15R2.13598 O=C(O)C1=CC=C2C(Br)=CC=CC2=N1 BB31-0233 [0,1,0,0,0,1|0,0,1]=3 189 B15R2.13598 O=C(O)C1=CN=C2C(Br)=CC=CC2=C1 BB31-4981 [0,1,0,0,0,1|0,0,1]=3 190 B15R2.14951 O=C(O)C1=CC2=CC=CC=C2C(Br)=C1 BB31-0187 [0,1,0,0,0,1|1,0,0]=3 191 B15R2.14951 O=C(O)C1=CC2=CC=CC=C2C(O)=C1 BB32-0358 [0,1,0,0,0,1|1,0,0]=3 192 B15R2.14951 O=C(O)C1=NC2=CC=CC=C2C(Br)=C1 BB31-4127 [0,1,0,0,0,1|0,0,1]=3 193 B15R2.14951 O=C1CC(C(=O)O)CC2=C1C=CC=C2 BB32-3811 [0,1,0,0,0,1|1,0,1]=4 194 B15R2.61353 O=C(O)C1=CN=C2C=CC=C(Br)C2=C1 BB31-2708 [0,1,0,0,0,1|0,0,1]=3 195 B15R2.61353 O=C(O)C1=CN=C2C=CC=C(Cl)C2=C1 BB31-2706 [0,1,0,0,0,1|0,0,1]=3 196 B15R2.61353 O=C(O)C1=CN=C2C=CC=C(F)C2=C1 BB31-2705 [0,1,0,0,0,1|0,0,1]=3 197 B15R2.630 CN1C2=CC=CC=C2N=C1S(=O)(=O)O BB52-0112 [0,2,0,0,0,0|2,0,0]=4 198 B15R2.1592 COC(=O)C1=C(I)C2=C(C=CC=C2)N1 BB31-5118 [0,2,0,0,0,0|0,0,0]=2 199 B15R2.1592 COC(=O)C1=C(N)C2=C(C=CC=N2)S1 BB31-7885 [0,2,0,0,0,0|2,0,0]=4 200 B15R2.1592 COC(=O)C1=C(N)C2=C(C=CN=C2)S1 BB31-8244 [0,2,0,0,0,0|2,0,0]=4 201 B15R2.1592 COC(=O)C1=C(N)C2=C(C=NC=C2)S1 BB31-9914 [0,2,0,0,0,0|2,0,0]=4 202 B15R2.1592 COC(=O)C1=C(N)C2=C(N=CC=C2)O1 BB32-0820 [0,2,0,0,0,0|2,0,0]=4 203 B15R2.1592 COC(=O)C1=C(N)C2=CC=CN=C2S1 BB52-5790 [0,2,0,0,0,0|2,0,0]=4 204 B15R2.1592 COC(=O)C1=CC2=C(N=CC=C2)N1C BB31-8847 [0,2,0,0,0,0|1,0,0]=3 205 B15R2.1592 COC(=O)C1=NC2=C(C=CC=C2)N1C BB31-4476 [0,2,0,0,0,0|1,0,0]=3 206 B15R2.1592 COC(=O)C1CC2=C(C=CC=C2)C1=O BB31-4191 [0,2,0,0,0,0|1,0,1]=4 207 B15R2.4190 CCN1C(C(=O)O)=CC2=C1C=CC=C2 BB32-1196 [0,2,0,0,0,0|0,0,0]=2 208 B15R2.7203 CC1=C(C(=O)O)NC2=CC=C(F)C=C21 BB52-6027 [0,2,0,0,0,0|0,0,0]=2 209 B15R2.7203 CC1=C(C(=O)O)OC2=C1C=C(Br)C=C2 BB32-2852 [0,2,0,0,0,0|1,0,0]=3 210 B15R2.7203 CC1=C(C(=O)O)OC2=C1C=C(Cl)C=C2 BB31-0350 [0,2,0,0,0,0|1,0,0]=3 211 B15R2.7203 CC1=CC2=C(C=C1)OC(C(=O)O)=C2C BB31-3357 [0,2,0,0,0,0|1,0,0]=3 212 B15R2.7203 CN1C(B(O)O)=CC2=C1C=C(Cl)C=C2 BB31-7394 [0,2,0,0,0,0|1,0,1]=4 213 B15R2.9921 CC1=C(C(=O)O)N(C)C2=CC=CC=C21 BB52-6031 [0,2,0,0,0,0|0,0,0]=2 214 B15R2.13463 CC1=C2C=C(C(=O)O)N(C)C2=CC=C1 BB52-6032 [0,2,0,0,0,0|0,0,0]=2 215 B15R2.13463 CC1=CC=CN2C1=NC(C(=O)O)=C2Br BB31-1730 [0,2,0,0,0,0|1,0,1]=4 216 B15R2.13463 CN1C(C(=O)O)=CC2=C(Cl)C=CC=C21 BB52-6036 [0,2,0,0,0,0|0,0,0]=2 217 B15R2.13463 NC(=O)C1=C(Cl)C2=CC=CC(N)=C2S1 BB52-4022 [0,2,0,0,0,0|2,0,0]=4 218 B15R2.13629 CC1=C2C(=CC=C1)C=C(C(=O)O)N2C BB52-6033 [0,2,0,0,0,0|0,0,0]=2 219 B15R2.13629 CN1C(C(=O)O)=CC2=CC=CC(Cl)=C21 BB52-6037 [0,2,0,0,0,0|0,0,0]=2 220 B15R2.14758 CC1=CC2=C(C=C1)C(C)=C(C(=O)O)O2 BB31-3360 [0,2,0,0,0,0|1,0,0]=3 221 B15R2.14758 CC1=CC2=NC(C(=O)O)=C(F)N2C=C1 BB32-3761 [0,2,0,0,0,0|1,0,1]=4 222 B15R2.14758 CN1C(C(=O)O)=CC2=CC(Br)=CC=C21 BB52-6038 [0,2,0,0,0,0|0,0,0]=2 223 B15R2.14758 NC(=O)C1=C(Cl)C2=CC=C(Cl)C=C2S1 BB52-4122 [0,2,0,0,0,0|2,0,0]=4 224 B15R2.1590 COC(=O)C1=CC2=C(C=C(Cl)C=C2)S1 BB31-8934 [0,2,0,0,0,0|1,0,0]=3 225 B15R2.1590 COC(=O)C1=CC2=C(C=C(O)C=C2)N1 BB31-0447 [0,2,0,0,0,0|0,0,0]=2 226 B15R2.1590 COC(=O)C1=CC2=C(C=CC(Br)=C2)O1 BB31-4370 [0,2,0,0,0,0|1,0,0]=3 227 B15R2.1590 COC(=O)C1=CC2=C(C=CC(C)=C2)O1 BB31-6856 [0,2,0,0,0,0|1,0,0]=3 228 B15R2.1590 COC(=O)C1=CC2=C(C=CC(N)=C2)O1 BB32-1523 [0,2,0,0,0,0|1,0,0]=3 229 B15R2.1590 COC(=O)C1=CC2=C(N=C(Cl)C=C2)N1 BB31-0383 [0,2,0,0,0,0|1,0,0]=3 230 B15R2.1590 COC(=O)C1=CC2=CC(Br)=CN=C2N1 BB31-0966 [0,2,0,0,0,0|1,0,0]=3 231 B15R2.1590 COC(=O)C1=CC2=CC(F)=CN=C2N1 BB31-0965 [0,2,0,0,0,0|1,0,0]=3 232 B15R2.1590 COC(=O)C1=CC2=CC(N)=CC=C2S1 BB52-1684 [0,2,0,0,0,0|1,0,0]=3 233 B15R2.1590 COC(=O)C1=CC2=NC=C(Cl)C=C2N1 BB31-9275 [0,2,0,0,0,0|1,0,0]=3 234 B15R2.1590 COC(=O)C1=NC2=C(C=C(Br)C=C2)O1 BB31-7240 [0,2,0,0,0,0|1,0,1]=4 235 B15R2.1590 COC(=O)C1=NC2=C(C=C(Br)C=C2)S1 BB31-8385 [0,2,0,0,0,0|1,0,1]=4 236 B15R2.1590 COC(=O)C1=NC2=C(C=CC(Cl)=C2)O1 BB31-8052 [0,2,0,0,0,0|1,0,1]=4 237 B15R2.1590 COC(=O)C1=NC2=C(N=C(Br)C=C2)N1 BB31-1296 [0,2,0,0,0,0|2,0,0]=4 238 B15R2.1590 NNC(=O)C1=CC2=CC(F)=CC=C2N1 BB01-0497 [0,2,0,0,0,0|1,0,0]=3 239 B15R2.1598 COC(=O)C1=CC2=CC=CC(Br)=C2O1 BB31-9826 [0,2,0,0,0,0|1,0,0]=3 240 B15R2.1598 COC(=O)C1=CC2=CC=CC(Br)=C2S1 BB32-2591 [0,2,0,0,0,0|1,0,0]=3 241 B15R2.1598 COC(=O)C1=CC2=CC=CC(F)=C2N1 BB31-0663 [0,2,0,0,0,0|0,0,0]=2 242 B15R2.1598 COC(=O)C1=CC2=CC=CC(F)=C2S1 BB32-2430 [0,2,0,0,0,0|1,0,0]=3 243 B15R2.7250 CC1=CC=C2NC(S(=O)(=O)O)=NC2=C1 BB52-0143 [0,2,0,0,0,0|2,0,0]=4 244 B15R2.7250 O=S(=O)(O)C1=NC2=CC(Cl)=CC=C2N1 BB52-8627 [0,2,0,0,0,0|2,0,0]=4 245 B15R2.13459 CC1=C2N=C(S(=O)(=O)O)NC2=CC=C1 BB52-8637 [0,2,0,0,0,0|2,0,0]=4 246 B15R2.4834 COC1=CC2=C(C=C1)SC(C(=O)O)=C2 BB31-4197 [0,2,0,0,0,0|1,0,0]=3 247 B15R2.4834 COC1=CC2=C(C=N1)NC(C(=O)O)=C2 BB32-0620 [0,2,0,0,0,0|1,0,0]=3 248 B15R2.4834 COC1=CC2=NC(C(=O)O)=CN2C=C1 BB31-1616 [0,2,0,0,0,0|1,0,1]=4 249 B15R2.4834 N#CC1=CC2=C(C=C1)NC(C(=O)O)=C2 BB32-0623 [0,2,0,0,0,0|0,0,0]=2 250 B15R2.7254 O=C(O)C1=CC2=C(C=CC(Cl)=C2F)N1 BB32-0801 [0,2,0,0,0,0|0,0,0]=2 251 B15R2.15633 O=C(O)C1=CC2=C(Br)C=C(F)C=C2S1 BB31-6899 [0,2,0,0,0,0|1,0,0]=3 252 B15R2.15633 O=C(O)C1=CC2=C(Cl)N=C(Cl)N=C2N1 BB31-3227 [0,2,0,0,0,0|2,0,0]=4 253 B15R2.15633 O=C(O)C1=CC2=CC(Br)=CC(Br)=C2O1 BB31-7542 [0,2,0,0,0,0|1,0,0]=3 254 B15R2.15633 O=C(O)C1=CN2C=C(Br)C=C(F)C2=N1 BB31-5320 [0,2,0,0,0,0|1,0,1]=4 255 B15R2.20824 N#CC1=CC=CC2=C1C=C(C(=O)O)N2 BB32-0119 [0,2,0,0,0,0|0,0,0]=2 256 B13R2.369 CC1=CC2=CC=CC=C2C=C1O BB31-5686 [0,0,1,1,0,0|2,0,0]=4 257 B13R2.369 NC1=CC2=CC=CC=C2C=C1Br BB32-2439 [0,0,1,1,0,0|2,0,0]=4 258 B13R2.369 O=C1OC2=C(C=CC=C2)C=C1Br BB31-7389 [0,0,1,1,0,0|1,0,0]=3 259 B13R2.369 OC1=NC2=CC=CC=C2C=C1Br BB31-7203 [0,0,1,1,0,0|2,0,0]=4 260 B13R2.5179 NC1=CC=CC2=C1C=CC(=O)N2 BB32-3197 [0,0,1,1,0,0|1,0,0]=3 261 B13R2.5179 O=C1C=CC2=C(Br)C=CC=C2N1 BB31-7109 [0,0,1,1,0,0|2,0,0]=4 262 B13R2.5179 O=C1C=CC2=C(C=CC=C2O)N1 BB31-4990 [0,0,1,1,0,0|2,0,0]=4 263 B13R2.5179 O=C1C=CC2=C(F)C=CC=C2N1 BB32-3348 [0,0,1,1,0,0|2,0,0]=4 264 B13R2.72 CC(=O)C1=CN=C2C=CC=CN12 BB31-4529 [0,0,1,1,0,0|2,0,0]=4 265 B13R2.72 O=C(O)C1=C2C=CC=CC2=NO1 BB31-5182 [0,0,1,1,0,0|2,0,0]=4 266 B13R2.72 O=C(O)C1=CN=C2C=CC=NN12 BB32-0189 [0,0,1,1,0,0|2,0,0]=4 267 B13R2.72 O=C(O)C1=CN=C2C=NC=CN12 BB31-1577 [0,0,1,1,0,0|2,0,0]=4 268 B13R2.72 O=C(O)C1=CN=C2N=CC=CN12 BB32-3352 [0,0,1,1,0,0|2,0,0]=4 269 B13R2.72 O=C(O)C1=COC2=C1C=CC=C2 BB31-4435 [0,0,1,1,0,0|2,0,0]=4 270 B13R2.72 O=C(O)C1NCC2=C1C=CC=C2 BB31-7561 [0,0,1,1,0,0|0,0,2]=4 271 B13R2.430 O=C(O)C1=NC=C2NC=CC2=C1 BB31-1646 [0,0,1,1,0,0|1,0,1]=4 272 B13R2.5569 O=C(O)C1=C2C=COC2=CC=C1 BB31-3323 [0,0,1,1,0,0|2,0,0]=4 273 B13R2.5569 O=C(O)C1=C2SC=CC2=CC=C1 BB31-0191 [0,0,1,1,0,0|2,0,0]=4 274 B13R2.5569 O=C(O)C1=CC=CC2=C1C=CS2 BB31-0192 [0,0,1,1,0,0|2,0,0]=4 275 B13R2.5569 O=C(O)C1=CC=CC2=CC=NN21 BB32-2200 [0,0,1,1,0,0|1,0,0]=3 276 B13R2.5569 O=C(O)C1=CC=CC2=NC=CN12 BB32-2567 [0,0,1,1,0,0|1,0,0]=3 277 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 BB32-1369 [0,0,1,0,1,0|1,0,1]=4 278 B11R1.36 NC(C(=O)O)C1=NC=CC=C1 BB31-5646 [0,0,1,0,1,0|1,0,1]=4 279 B11R1.86 CC(=O)NC1=C(I)C=CC=C1 BB31-8198 [0,0,1,0,1,0|2,0,0]=4 280 B11R1.86 CC(=O)NC1=C(N)C=CC=C1 BB12-7660 [0,0,1,0,1,0|2,0,0]=4 281 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 BB31-4405 [0,0,1,0,0,1|0,0,2]=4 282 B13R1.351 O=C(O)C(=O)NCC1=CC=CN=C1 BB52-9157 [0,0,1,0,0,1|2,0,0]=4 283 B13R1.351 O=C(O)C(=O)NCC1=CC=NC=C1 BB52-9602 [0,0,1,0,0,1|2,0,0]=4 284 B13R1.351 O=C(O)C(=O)NCC1=NC=CC=C1 BB53-0207 [0,0,1,0,0,1|2,0,0]=4 285 B13R2.57 O=CC1=CC2=CC=NC=C2C=C1 BB31-3393 [1,0,0,0,0,1|2,0,0]=4 286 B13R2.57 O=CC1=NC2=NC=CC=C2C=C1 BB32-3134 [1,0,0,0,0,1|1,0,1]=4 287 B15R2.1660 O=C(O)CSC1=NC2=CC=CC=C2N1 BB52-0164 [0,0,0,0,0,2|1,0,0]=3 288 B15R2.1660 O=C(O)CSC1=NC2=CC=CN=C2N1 BB51-1857 [0,0,0,0,0,2|2,0,0]=4 289 B15R2.1660 O=C(O)\C=C\C1=CC2=C(C=CC=C2)O1 BB31-1938 [0,0,0,0,0,2|1,0,0]=3 290 B15R2.1668 O=C(O)CC1=CC2=CC=CC=C2N=C1 BB31-8133 [0,0,0,0,0,2|0,0,1]=3