0 B13R2.435 CC(=O)C1=CN2C=CC=CC2=C1 4002595 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.435 CC(=O)C1=NC2=CC=CC=C2N1 4009570 [0,0,0,0,0,0|2,0,0]=2 2 B13R2.435 FC(F)C1=NC2=CC=CC=C2N1 4042812 [0,0,0,0,0,0|3,0,1]=4 3 B13R2.435 NC(=O)C1=CC2=CC=CC=C2S1 4045182 [0,0,0,0,0,0|2,0,0]=2 4 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 4088003 [0,0,0,0,0,0|1,0,1]=2 5 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 4089063 [0,0,0,0,0,0|1,0,1]=2 6 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 4401038 [0,0,0,0,0,0|1,0,1]=2 7 B13R2.435 O=C(O)C1=CN2C=CC=NC2=N1 4014386 [0,0,0,0,0,0|2,0,1]=3 8 B13R2.435 O=C(O)C1=NC2=C(N=CC=C2)N1 4108215 [0,0,0,0,0,0|2,0,0]=2 9 B13R2.435 O=C(O)C1=NC2=CC=CC=C2S1 4400806 [0,0,0,0,0,0|1,0,1]=2 10 B13R2.435 O=C(O)C1=NN2C=CC=NC2=C1 4088002 [0,0,0,0,0,0|2,0,1]=3 11 B13R2.435 O=C(O)C1=NN2C=CC=NC2=C1 4400923 [0,0,0,0,0,0|2,0,1]=3 12 B13R2.435 O=C(O)C1=NN2C=CC=NC2=N1 4401880 [0,0,0,0,0,0|3,0,1]=4 13 B13R2.435 O=C([O-])C1=NC2=CC=CC=C2O1 4400848 [0,0,0,0,0,0|1,0,2]=3 14 B13R2.435 OB(O)C1=CC2=CC=CC=C2S1 4201819 [0,0,0,0,0,0|2,0,1]=3 15 B12R2.32 C=CC1=NC2=C(C=CC=C2)N1 4025542 [1,0,0,0,0,0|2,0,0]=3 16 B12R2.32 CCC1=NC2=CC=CC=C2N1 3001661 [1,0,0,0,0,0|2,0,1]=4 17 B12R2.32 N#CC1=NC2=CC=CC=C2N1 4028334 [1,0,0,0,0,0|2,0,1]=4 18 B12R2.32 NCC1=CC2=CC=CC=C2N1 4085479 [1,0,0,0,0,0|1,0,1]=3 19 B12R2.32 NCC1=CC2=CC=CC=C2N1 4087983 [1,0,0,0,0,0|1,0,1]=3 20 B12R2.32 NCC1=CC2=CC=CC=C2N1 4110841 [1,0,0,0,0,0|1,0,1]=3 21 B12R2.32 NCC1=CC2=CC=CC=C2O1 4102882 [1,0,0,0,0,0|2,0,1]=4 22 B12R2.32 NCC1=CC2=CC=CC=C2S1 4100819 [1,0,0,0,0,0|2,0,1]=4 23 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 4100108 [1,0,0,0,0,0|2,0,1]=4 24 B12R2.32 NNC1=NC2=C(C=CC=C2)N1 4100063 [1,0,0,0,0,0|3,0,0]=4 25 B12R2.32 O=CC1=CC2=CC=CC=C2N1 4130840 [1,0,0,0,0,0|0,0,0]=1 26 B12R2.32 O=CC1=CC2=CC=CC=C2S1 4300821 [1,0,0,0,0,0|1,0,0]=2 27 B12R2.32 O=CC1=NC2=C(C=CC=C2)N1 4300303 [1,0,0,0,0,0|1,0,0]=2 28 B12R2.32 OCC1=NC2=C(N=CC=C2)N1 4021771 [1,0,0,0,0,0|2,0,1]=4 29 B12R2.32 SCC1=NC2=C(C=CC=C2)N1 4009529 [1,0,0,0,0,0|1,1,1]=4 30 B12R2.32 SCC1=NC2=C(C=CC=C2)N1 4088317 [1,0,0,0,0,0|1,1,1]=4 31 B14R2.450 CC(=O)C1=NC2=CC=CC=C2N1C 9071845 [0,1,0,0,0,0|2,0,0]=3 32 B14R2.450 CC1=C(C(=O)O)N=C2C=CC=CN21 4056859 [0,1,0,0,0,0|1,0,1]=3 33 B14R2.450 NC(=O)C1=C(N)C2=CC=CN=C2S1 4033465 [0,1,0,0,0,0|3,0,0]=4 34 B14R2.450 NC1=C(C(=O)O)SC2=NC=CC=C21 4033010 [0,1,0,0,0,0|2,0,0]=3 35 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=CC=C2)S1 3003092 [0,1,0,0,0,0|1,0,0]=2 36 B14R2.450 O=C(O)C1=C(Cl)C2=CC=CC=C2N1 4042558 [0,1,0,0,0,0|0,0,0]=1 37 B14R2.450 O=C(O)C1=C(F)N2C=CC=CC2=N1 4027728 [0,1,0,0,0,0|1,0,1]=3 38 B14R2.972 N\C(=N/O)C1=CN2C=CC=CC2=N1 4036382 [0,1,0,0,0,0|2,0,1]=4 39 B14R2.972 O=C(CCl)C1=NC2=C(C=CC=C2)N1 4011801 [0,1,0,0,0,0|2,0,0]=3 40 B14R2.3129 O=S(=O)(Cl)C1=CC2=C(C=CC=C2)S1 4002793 [0,1,0,0,0,0|2,0,1]=4 41 B14R2.4529 CC(=O)C1=NC2=CC(C)=CC=C2N1 4028806 [0,1,0,0,0,0|2,0,0]=3 42 B14R2.4529 CC(=O)C1=NC2=CC=C(Cl)C=C2N1 4011026 [0,1,0,0,0,0|2,0,0]=3 43 B14R2.4529 CC(=O)C1=NC2=CC=C(Cl)C=C2N1 4087846 [0,1,0,0,0,0|2,0,0]=3 44 B14R2.4529 CC(=O)C1=NC2=CC=C(F)C=C2N1 4011027 [0,1,0,0,0,0|2,0,0]=3 45 B14R2.4529 CC(O)C1=NC2=C(C=CC(N)=C2)N1 4029736 [0,1,0,0,0,0|2,0,1]=4 46 B14R2.4529 CC(O)C1=NC2=CC(Br)=CC=C2N1 4030170 [0,1,0,0,0,0|2,0,1]=4 47 B14R2.4529 CC1=CC2=C(C=C1)NC(C(=O)O)=N2 4012864 [0,1,0,0,0,0|1,0,0]=2 48 B14R2.4529 CC1=CC2=C(C=C1)NC(C(=O)O)C2 4004794 [0,1,0,0,0,0|0,0,2]=3 49 B14R2.4529 CC1=CC2=C(C=C1)OC(C(=O)O)=C2 4008763 [0,1,0,0,0,0|1,0,0]=2 50 B14R2.4529 CC1=CC2=CC(C(=O)O)=NN2C=C1 4076035 [0,1,0,0,0,0|1,0,1]=3 51 B14R2.4529 CC1=CC2=NC(C(=O)O)=CN2C=C1 4402938 [0,1,0,0,0,0|1,0,1]=3 52 B14R2.4529 CC1=CC=C2NC(C(C)O)=NC2=C1 4005346 [0,1,0,0,0,0|2,0,1]=4 53 B14R2.4529 CC1=CN2C=C(C(=O)O)N=C2C=C1 4402936 [0,1,0,0,0,0|1,0,1]=3 54 B14R2.4529 O=C(O)C1=CN2C=C(Cl)C=CC2=N1 4088874 [0,1,0,0,0,0|1,0,1]=3 55 B14R2.4529 O=C(O)C1=CN2C=C(Cl)C=CC2=N1 4401039 [0,1,0,0,0,0|1,0,1]=3 56 B14R2.4529 O=C(O)C1=NN2C=C(Br)C=NC2=C1 5340843 [0,1,0,0,0,0|2,0,1]=4 57 B14R2.4529 O=C(O)C1CC2=CC(Cl)=CC=C2N1 4004896 [0,1,0,0,0,0|0,0,2]=3 58 B14R2.7969 CC1=CC=CC2=C1N=C(C(C)O)N2 4032913 [0,1,0,0,0,0|2,0,1]=4 59 B14R2.7969 CC1=CC=CC2=C1OC(C(=O)O)=C2 4041510 [0,1,0,0,0,0|1,0,0]=2 60 B14R2.7969 CC1=CC=CC2=NC(C(=O)O)=CN12 4088956 [0,1,0,0,0,0|1,0,1]=3 61 B14R2.7969 CC1=CC=CC2=NC(C(=O)O)=CN12 4402939 [0,1,0,0,0,0|1,0,1]=3 62 B14R2.7969 CC1=CC=CN2C=C(C(=O)O)N=C12 4402937 [0,1,0,0,0,0|1,0,1]=3 63 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Cl)N1 4402643 [0,1,0,0,0,0|0,0,0]=1 64 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2N1 4023476 [0,1,0,0,0,0|0,0,0]=1 65 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O 3001886 [0,0,1,0,0,0|1,0,2]=4 66 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 4027804 [0,0,1,0,0,0|1,0,0]=2 67 B12R1.125 CC1=C(SCC(=O)O)C=CC=C1 5232614 [0,0,1,0,0,0|1,0,2]=4 68 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 4028464 [0,0,1,0,0,0|1,0,1]=3 69 B12R1.125 O=C(O)COC1=CC=CC=C1Br 3013825 [0,0,1,0,0,0|2,0,1]=4 70 B12R1.125 O=C(O)COC1=CC=CC=C1F 3013975 [0,0,1,0,0,0|2,0,1]=4 71 B12R2.252 O=C(O)C1=CC2=C(C=CS2)N1 4012315 [0,0,0,0,1,0|1,0,0]=2 72 B12R2.252 O=C(O)C1=CN2C=CSC2=N1 4091219 [0,0,0,0,1,0|2,0,1]=4 73 B12R2.252 O=C(O)C1=CN2C=CSC2=N1 4401040 [0,0,0,0,1,0|2,0,1]=4 74 B14R2.768 O=C(O)CC1=NC2=C(C=CC=C2)N1 4400292 [0,0,0,0,0,1|1,0,0]=2 75 B14R2.768 O=C(O)CN1C=C2C=CC=CC2=N1 4006215 [0,0,0,0,0,1|1,0,1]=3 76 B14R2.768 O=C(O)CN1CC2=CC=CC=C2C1 4003155 [0,0,0,0,0,1|2,0,1]=4 77 B14R2.768 O=C(O)CN1N=C2C=CC=CC2=N1 4403032 [0,0,0,0,0,1|2,0,1]=4 78 B14R2.768 O=C([O-])CC1=NC2=CC=CC=C2O1 4088000 [0,0,0,0,0,1|1,0,2]=4 79 B14R2.768 O=C([O-])CC1=NC2=CC=CC=C2O1 4400849 [0,0,0,0,0,1|1,0,2]=4 80 B14R2.781 NC(=O)C1CC2=CC=CC=C2CN1 4027538 [0,0,0,0,0,1|1,0,2]=4 81 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)C1 4005920 [0,0,0,0,0,1|1,0,2]=4 82 B14R2.781 OB(O)C1=CC2=CC=CC=C2N=C1 4003837 [0,0,0,0,0,1|1,0,2]=4 83 B11R1.91 O=C(O)CNC1=CC=CN=C1 4110417 [1,0,1,0,0,0|1,0,1]=4 84 B13R1.133 CC1=CC=C(NC(=O)C(=O)O)C=C1 4031042 [0,1,1,0,0,0|1,0,0]=3 85 B13R1.133 O=C(O)C(=O)NC1=CC=C(F)C=C1 4027133 [0,1,1,0,0,0|1,0,0]=3 86 B13R1.148 O=C(O)C(=O)NC1=CC(Cl)=CC=C1 4030253 [0,1,1,0,0,0|1,0,0]=3 87 B13R1.148 O=C(O)C(=O)NC1=CC=CC(F)=C1 4026865 [0,1,1,0,0,0|1,0,0]=3 88 B13R1.152 CN(C(=O)C(=O)O)C1=CC=CC=C1 4028185 [0,1,1,0,0,0|1,0,0]=3 89 B13R1.202 CC1=CC=CC=C1NC(=O)C(=O)O 4027011 [0,1,1,0,0,0|1,0,0]=3 90 B13R1.202 O=C(O)C(=O)NC1=CC=CC=C1Cl 4030004 [0,1,1,0,0,0|1,0,0]=3 91 B13R1.202 O=C(O)C(=O)NC1=CC=CC=C1F 4027050 [0,1,1,0,0,0|1,0,0]=3 92 B13R1.1073 CC(C)(NC1=CC=CC=C1)C(=O)O 4140261 [0,1,1,0,0,0|0,0,2]=4 93 B13R1.164 O=C(O)CNC1=C(F)C=C(F)C=C1 4045122 [0,1,1,0,0,0|1,0,1]=4 94 B13R2.26 OCCC1=NC2=CC=CC=C2N1 4021820 [1,1,0,0,0,0|1,0,1]=4 95 B13R2.43 CC1=CC2=C(C=C1)NC(CO)=N2 4010953 [1,1,0,0,0,0|1,0,1]=4 96 B13R2.43 NC1=CC=C2NC(CO)=NC2=C1 4003721 [1,1,0,0,0,0|1,0,1]=4 97 B13R2.43 NCC1=CC2=CC(Cl)=CC=C2N1 4002994 [1,1,0,0,0,0|1,0,1]=4 98 B13R2.43 NCC1=CC2=CC(F)=CC=C2N1 4002996 [1,1,0,0,0,0|1,0,1]=4 99 B13R2.43 OCC1=CC2=CC(Br)=CC=C2N1 4031723 [1,1,0,0,0,0|0,0,1]=3 100 B13R2.43 OCC1=NC2=C(C=CC(Br)=C2)N1 4030161 [1,1,0,0,0,0|1,0,1]=4 101 B13R2.43 OCC1=NC2=C(C=CC(Cl)=C2)N1 4001656 [1,1,0,0,0,0|1,0,1]=4 102 B13R2.43 OCC1=NC2=C(C=CC(F)=C2)N1 4001655 [1,1,0,0,0,0|1,0,1]=4 103 B13R2.45 CC1=C(C=O)NC2=CC=CC=C21 4003347 [1,1,0,0,0,0|0,0,0]=2 104 B13R2.45 CC1=C(C=O)OC2=CC=CC=C21 4002706 [1,1,0,0,0,0|1,0,0]=3 105 B13R2.45 CN1C(CO)=NC2=C1C=CC=C2 4900605 [1,1,0,0,0,0|1,0,1]=4 106 B13R2.45 O=CC1=C(Cl)C2=C(C=CC=C2)S1 4004691 [1,1,0,0,0,0|1,0,0]=3 107 B13R2.45 O=CC1=C(Cl)C2=CC=CC=C2N1 4003000 [1,1,0,0,0,0|0,0,0]=2 108 B13R2.54 CC1=C2N=C(CO)NC2=CC=C1 4030530 [1,1,0,0,0,0|1,0,1]=4 109 B15R2.629 O=C(O)CN1NC2=CC=CC=C2C1=O 4043981 [0,1,0,0,0,1|1,0,0]=3 110 B15R2.1569 O=C(CCl)NC1=NC2=C(C=CC=C2)N1 5698468 [0,1,0,0,0,1|2,0,0]=4 111 B15R2.7252 O=C(O)CC1=NC2=CC(Cl)=CC=C2N1 4140559 [0,1,0,0,0,1|1,0,0]=3 112 B15R2.627 NC1=C(C(=O)O)C=NC2=CC=CC=C21 4036362 [0,1,0,0,0,1|0,0,1]=3 113 B15R2.627 O=C(O)C1=C(O)C2=C(C=C1)C=NC=C2 4058006 [0,1,0,0,0,1|2,0,0]=4 114 B15R2.627 O=C(O)C1=CN=C2C=CC=CN2C1=O 4401868 [0,1,0,0,0,1|1,0,1]=4 115 B15R2.984 CC(=O)C1=C(C)N=C2C=CC=CC2=N1 4013455 [0,1,0,0,0,1|1,0,1]=4 116 B15R2.984 CN1CC2=C(C=CC=C2)CC1C(=O)O 4088821 [0,1,0,0,0,1|0,0,2]=4 117 B15R2.984 CN1CC2=C(C=CC=C2)CC1C(=O)O 4400181 [0,1,0,0,0,1|0,0,2]=4 118 B15R2.984 O=C(O)C1=NC2=C(C=CC=C2)N=C1O 4400224 [0,1,0,0,0,1|0,0,1]=3 119 B15R2.984 O=C(O)C1=NC2=CC=CC=C2N=C1Cl 4000005 [0,1,0,0,0,1|0,0,1]=3 120 B15R2.14951 O=C1NC(C(=O)O)CC2=CC=CC=C12 4041444 [0,1,0,0,0,1|0,0,2]=4 121 B15R2.61353 NC(=O)C1=NC2=C(C=CC=C2O)C=C1 5175110 [0,1,0,0,0,1|1,0,1]=4 122 B15R2.61353 O=C(O)C1=NC2=C(Cl)C=CC=C2C=C1 4003794 [0,1,0,0,0,1|0,0,1]=3 123 B15R2.61353 O=C(O)C1=NC2=C(F)C=CC=C2C=C1 4003788 [0,1,0,0,0,1|0,0,1]=3 124 B15R2.1592 COC(=O)C1=C(Br)N2C=CC=CC2=N1 4042903 [0,2,0,0,0,0|1,0,1]=4 125 B15R2.4190 CCC1=C(C(=O)O)NC2=C1C=CC=C2 4002605 [0,2,0,0,0,0|0,0,0]=2 126 B15R2.7203 CC1=C(C(=O)O)NC2=C1C=C(Cl)C=C2 4400279 [0,2,0,0,0,0|0,0,0]=2 127 B15R2.7203 CC1=C(C(=O)O)NC2=C1C=C(F)C=C2 4004693 [0,2,0,0,0,0|0,0,0]=2 128 B15R2.7203 CC1=CC=C2C=C(C(=O)O)N(C)C2=C1 4033222 [0,2,0,0,0,0|0,0,0]=2 129 B15R2.7203 CC1=CC=C2NC(C(=O)O)=C(C)C2=C1 4004390 [0,2,0,0,0,0|0,0,0]=2 130 B15R2.7203 CC1=CC=C2OC(C(=O)O)=C(C)C2=C1 4002703 [0,2,0,0,0,0|1,0,0]=3 131 B15R2.7203 CC1=CN2C(=NC(C(=O)O)=C2F)C=C1 4043652 [0,2,0,0,0,0|1,0,1]=4 132 B15R2.7203 CC1=CN2C(=NC(C(=O)O)=C2F)C=C1 4087946 [0,2,0,0,0,0|1,0,1]=4 133 B15R2.7203 CN1C(C(=O)O)=CC2=CC=C(Cl)C=C21 4034179 [0,2,0,0,0,0|0,0,0]=2 134 B15R2.7203 O=C(O)C1=C(F)N2C=C(Cl)C=CC2=N1 4043448 [0,2,0,0,0,0|1,0,1]=4 135 B15R2.9921 CC1=C(C(=O)O)N(C)C2=CC=CC=C21 4031027 [0,2,0,0,0,0|0,0,0]=2 136 B15R2.13463 CC1=C(C(=O)O)NC2=C(F)C=CC=C12 4033615 [0,2,0,0,0,0|0,0,0]=2 137 B15R2.13463 CC1=C2C=C(C(=O)O)N(C)C2=CC=C1 4033810 [0,2,0,0,0,0|0,0,0]=2 138 B15R2.13463 CC1=CC=CN2C1=NC(C(=O)O)=C2F 4026956 [0,2,0,0,0,0|1,0,1]=4 139 B15R2.13629 CC1=C2C(=CC=C1)C=C(C(=O)O)N2C 4032590 [0,2,0,0,0,0|0,0,0]=2 140 B15R2.14758 CC1=CC2=C(C=C1)N(C)C(C(=O)O)=C2 4002670 [0,2,0,0,0,0|0,0,0]=2 141 B15R2.14758 CC1=CC2=NC(C(=O)O)=C(F)N2C=C1 4027948 [0,2,0,0,0,0|1,0,1]=4 142 B15R2.14758 CC1=CC=C2C(=C1)OC(C(=O)O)=C2C 4002701 [0,2,0,0,0,0|1,0,0]=3 143 B15R2.1590 COC(=O)C1=CN2C=C(Br)C=CC2=N1 4043392 [0,2,0,0,0,0|1,0,1]=4 144 B15R2.15633 O=C(O)C1=CC2=C(O1)C(Br)=CC(Cl)=C2 6725612 [0,2,0,0,0,0|1,0,0]=3 145 B13R2.369 OC1=NC2=CC=CC=C2C=C1Br 4032198 [0,0,1,1,0,0|2,0,0]=4 146 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=N1 4100117 [0,0,1,1,0,0|2,0,0]=4 147 B13R2.5179 O=C1C=CC2=C(Cl)C=CC=C2N1 4037741 [0,0,1,1,0,0|2,0,0]=4 148 B13R2.72 O=C(O)C1=CN=C2C=CC=NN12 4042130 [0,0,1,1,0,0|2,0,0]=4 149 B13R2.72 O=C(O)C1=COC2=CC=CC=C21 4041027 [0,0,1,1,0,0|2,0,0]=4 150 B13R2.430 O=C(O)C1=CC=C2C=CNC2=N1 4039379 [0,0,1,1,0,0|1,0,1]=4 151 B13R2.5569 O=C(O)C1=CC=CC2=CC=NN21 4039584 [0,0,1,1,0,0|1,0,0]=3 152 B13R2.5569 O=C(O)C1=CC=CC2=NC=NN12 4038139 [0,0,1,1,0,0|2,0,0]=4 153 B11R1.36 O=C(O)C(=O)C1=CC=CN=C1 4034823 [0,0,1,0,1,0|2,0,0]=4 154 B11R1.36 O=C(O)C(=O)C1=CC=CN=C1 4087936 [0,0,1,0,1,0|2,0,0]=4 155 B13R1.348 O=C(O)CC(=O)NC1=CC=CC=C1 4027608 [0,0,1,0,0,1|1,0,0]=3 156 B13R1.351 CC(NCC1=CC=CC=C1)C(=O)O 6933119 [0,0,1,0,0,1|0,0,2]=4 157 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 4013598 [0,0,1,0,0,1|1,0,1]=4 158 B13R2.57 O=CC1=CC2=CC=CC=C2OC1 4110360 [1,0,0,0,0,1|1,0,0]=3 159 B13R2.57 O=CC1=CC=C2C=CC=NC2=C1 4300501 [1,0,0,0,0,1|2,0,0]=4 160 B15R2.1660 O=C(O)CCC1=NC2=CC=CC=C2S1 4402206 [0,0,0,0,0,2|1,0,1]=4 161 B15R2.1660 O=C(O)\C=C\C1=NC2=CC=CC=C2S1 4004229 [0,0,0,0,0,2|1,0,1]=4 162 B15R2.1237 O=C(O)C1=CC2=CC=CC=C2OC=C1 4025760 [0,0,0,0,0,2|1,0,0]=3