0 B11R1.91 N=C(N)CCC1=CC=CC=C1 4041259 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.91 N=C(N)NCC1=CC=CC=C1 4032915 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.91 O=C(O)CCC1=CC=NC=C1 4004170 [0,0,0,0,0,0|1,0,2]=3 3 B11R1.91 O=C(O)CCC1=NC=CC=C1 4004241 [0,0,0,0,0,0|1,0,2]=3 4 B11R1.91 O=C(O)CCC1=NC=CN=C1 4003578 [0,0,0,0,0,0|2,0,2]=4 5 B11R1.91 O=C(O)CNC1=CC=CN=C1 4110417 [0,0,0,0,0,0|2,0,1]=3 6 B11R1.91 O=C(O)CSC1=NC=CC=C1 4400385 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.17 NC\C=C\C1=CC=CC=C1 4027604 [1,0,0,0,0,0|1,0,1]=3 8 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 3005326 [0,1,0,0,0,0|0,0,0]=1 9 B12R1.21 NC(=O)COC1=CC=C(Br)C=C1 5122041 [0,1,0,0,0,0|2,0,1]=4 10 B12R1.21 NC(=O)CSC1=CC=C(Br)C=C1 7758268 [0,1,0,0,0,0|2,0,1]=4 11 B12R1.21 NC1=NC=C(\C=C\C(=O)O)C=N1 4011776 [0,1,0,0,0,0|2,0,0]=3 12 B12R1.21 O=C(O)CNC1=CC=C(Cl)C=C1 5368059 [0,1,0,0,0,0|1,0,1]=3 13 B12R1.21 O=C(O)CNC1=CC=C(F)C=C1 4026869 [0,1,0,0,0,0|1,0,1]=3 14 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 3005240 [0,1,0,0,0,0|0,0,0]=1 15 B12R1.27 NNC(=O)CCC1=CC=CC=C1 3017808 [0,1,0,0,0,0|1,0,2]=4 16 B12R1.27 NNC(=O)CCC1=CC=CC=C1 4045083 [0,1,0,0,0,0|1,0,2]=4 17 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 4023673 [0,1,0,0,0,0|2,0,1]=4 18 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O 3001886 [0,1,0,0,0,0|1,0,1]=3 19 B12R1.43 CC(SC1=NC=CC=C1)C(=O)O 4400386 [0,1,0,0,0,0|2,0,1]=4 20 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 4027804 [0,1,0,0,0,0|1,0,0]=2 21 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 4026827 [0,1,0,0,0,0|1,0,1]=3 22 B12R1.125 CC1=C(SCC(=O)O)C=CC=C1 5232614 [0,1,0,0,0,0|1,0,1]=3 23 B12R1.125 NC(=O)COC1=C(O)C=CC=C1 5144033 [0,1,0,0,0,0|2,0,1]=4 24 B12R1.125 O=C(O)CCN1C=CC=CC1=O 4043762 [0,1,0,0,0,0|1,0,2]=4 25 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 4028464 [0,1,0,0,0,0|1,0,1]=3 26 B12R1.125 O=C(O)COC1=CC=CC=C1Br 3013825 [0,1,0,0,0,0|1,0,1]=3 27 B12R1.125 O=C(O)COC1=CC=CC=C1F 3013975 [0,1,0,0,0,0|1,0,1]=3 28 B12R1.226 CC(=O)NCC1=CC(Br)=CC=C1 9070602 [0,1,0,0,0,0|2,0,1]=4 29 B12R1.226 CC1=CC(OCC(=O)O)=CC=C1 3001595 [0,1,0,0,0,0|1,0,1]=3 30 B12R1.226 NC(=O)COC1=CC=CC(Br)=C1 9071988 [0,1,0,0,0,0|2,0,1]=4 31 B12R1.226 NC1=CC(OCC(=O)O)=CC=C1 4027053 [0,1,0,0,0,0|1,0,1]=3 32 B12R1.226 NC1=CC=CC(\C=C\C(=O)O)=C1 5139503 [0,1,0,0,0,0|0,0,0]=1 33 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 3013974 [0,1,0,0,0,0|1,0,1]=3 34 B12R1.226 O=C(O)COC1=CC=CC(F)=C1 5871696 [0,1,0,0,0,0|1,0,1]=3 35 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 4002962 [0,0,0,1,0,0|1,0,2]=4 36 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 4030655 [0,0,0,1,0,0|1,0,2]=4 37 B12R2.24 BrC1=CC=C2C=NC=CC2=C1 4108320 [0,0,0,1,0,0|3,0,0]=4 38 B12R2.24 NC1=CC=C2C=CC=NC2=C1 4018528 [0,0,0,1,0,0|3,0,0]=4 39 B10R1.18 CC(=O)CC1=CC=CN=C1 4301933 [0,0,0,0,1,0|2,0,1]=4 40 B10R1.18 CC(=O)CC1=NC=CC=C1 4301932 [0,0,0,0,1,0|2,0,1]=4 41 B10R1.66 O=C(O)CCC1=CSC=C1 4014842 [0,0,0,0,1,0|1,0,2]=4 42 B10R1.66 O=C(O)CCN1C=CC=C1 4027042 [0,0,0,0,1,0|1,0,2]=4 43 B10R1.66 O=C(O)\C=C\C1=CC=CS1 3002329 [0,0,0,0,1,0|1,0,0]=2 44 B11R1.20 NC(=O)CC1=CC=C(Br)C=C1 4006878 [0,1,0,0,1,0|1,0,1]=4 45 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 4033333 [0,1,0,0,1,0|1,0,1]=4 46 B11R1.20 O=C1C=CN(CC(=O)O)C=C1 4032466 [0,1,0,0,1,0|1,0,1]=4 47 B11R1.36 O=C(O)C(=O)C1=CC=CN=C1 4034823 [0,1,0,0,1,0|1,0,0]=3 48 B11R1.36 O=C(O)C(=O)C1=CC=CN=C1 4087936 [0,1,0,0,1,0|1,0,0]=3 49 B11R1.86 CC1=C(CC(=O)O)N=CC=C1 4081067 [0,1,0,0,1,0|1,0,1]=4 50 B11R1.86 O=C(O)CN1C=CC=CC1=O 4029932 [0,1,0,0,1,0|1,0,1]=4 51 B11R1.157 CC(=O)NC1=CC(Br)=CC=C1 5475603 [0,1,0,0,1,0|2,0,0]=4 52 B11R1.157 NC(=O)CC1=CC=CC(N)=C1 4033483 [0,1,0,0,1,0|1,0,1]=4 53 B11R1.75 CN1C=C(\C=C\C(=O)O)C=N1 4001627 [0,1,0,0,1,0|2,0,0]=4 54 B13R1.158 CC1=C(CSCC(=O)O)C=CC=C1 6187574 [0,1,0,0,0,1|0,0,2]=4 55 B13R1.348 CN(CC(=O)O)CC1=CC=CC=C1 4110663 [0,1,0,0,0,1|0,0,2]=4 56 B13R1.348 O=C(O)CC(=O)NC1=CC=CC=C1 4027608 [0,1,0,0,0,1|0,0,1]=3 57 B13R1.351 CC(NCC1=CC=CC=C1)C(=O)O 6933119 [0,1,0,0,0,1|0,0,2]=4 58 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 4013598 [0,1,0,0,0,1|0,0,1]=3 59 B13R1.513 O=C(O)CCCC1=CC=C(Cl)C=C1 4002816 [0,1,0,0,0,1|0,0,2]=4 60 B13R1.3 COC1=CC=C(C#CC(=O)O)C=C1 5931045 [0,2,0,0,0,0|0,0,2]=4 61 B13R1.3 CSC1=NC=C(\C=C\C(=O)O)C=N1 4011775 [0,2,0,0,0,0|2,0,0]=4 62 B13R1.14 COC(=O)COC1=CC=C(N)C=C1 7315349 [0,2,0,0,0,0|1,0,1]=4 63 B13R1.133 CC1=CC=C(NC(=O)C(=O)O)C=C1 4031042 [0,2,0,0,0,0|1,0,0]=3 64 B13R1.133 CC1=CC=C(SC(C)C(=O)O)C=C1 4002685 [0,2,0,0,0,0|1,0,1]=4 65 B13R1.133 O=C(O)C(=O)NC1=CC=C(F)C=C1 4027133 [0,2,0,0,0,0|1,0,0]=3 66 B13R1.164 O=C(O)CNC1=C(F)C=C(F)C=C1 4045122 [0,2,0,0,0,0|1,0,1]=4 67 B13R1.164 O=C(O)COC1=CC=C(F)C=C1F 3013798 [0,2,0,0,0,0|1,0,1]=4 68 B13R1.511 O=C(O)COC1=CC=C(F)C(Cl)=C1 3013797 [0,2,0,0,0,0|1,0,1]=4 69 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 4045080 [0,2,0,0,0,0|0,0,2]=4 70 B13R1.148 CC(OC1=CC=CC(Br)=C1)C(=O)O 3013973 [0,2,0,0,0,0|1,0,1]=4 71 B13R1.148 O=C(O)C(=O)NC1=CC(Cl)=CC=C1 4030253 [0,2,0,0,0,0|1,0,0]=3 72 B13R1.148 O=C(O)C(=O)NC1=CC=CC(F)=C1 4026865 [0,2,0,0,0,0|1,0,0]=3 73 B13R1.152 CN(C(=O)C(=O)O)C1=CC=CC=C1 4028185 [0,2,0,0,0,0|1,0,0]=3 74 B13R1.202 CC(OC1=CC=CC=C1Br)C(=O)O 3013972 [0,2,0,0,0,0|1,0,1]=4 75 B13R1.202 CC1=CC=CC=C1NC(=O)C(=O)O 4027011 [0,2,0,0,0,0|1,0,0]=3 76 B13R1.202 CC1=CC=CC=C1OC(C)C(=O)O 3013838 [0,2,0,0,0,0|1,0,1]=4 77 B13R1.202 O=C(O)C(=O)NC1=CC=CC=C1Cl 4030004 [0,2,0,0,0,0|1,0,0]=3 78 B13R1.202 O=C(O)C(=O)NC1=CC=CC=C1F 4027050 [0,2,0,0,0,0|1,0,0]=3 79 B13R1.1073 CC(C)(NC1=CC=CC=C1)C(=O)O 4140261 [0,2,0,0,0,0|1,0,1]=4 80 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O 3013908 [0,2,0,0,0,0|1,0,1]=4 81 B13R1.147 NC(CC(=O)O)C1=CC=CC(Cl)=C1 4140248 [0,2,0,0,0,0|0,0,2]=4 82 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1F 4005728 [0,2,0,0,0,0|0,0,2]=4 83 B13R1.347 CC(C)(CC(=O)O)C1=CC=CC=C1 4026266 [0,2,0,0,0,0|0,0,2]=4 84 B13R1.713 CNC(CC(=O)O)C1=CC=CC=C1 4140249 [0,2,0,0,0,0|0,0,2]=4 85 B13R1.893 CC1=CC=C(Cl)C(OCC(=O)O)=C1 3013793 [0,2,0,0,0,0|1,0,1]=4 86 B13R1.893 O=C(O)COC1=C(Cl)C=CC(Cl)=C1 3013810 [0,2,0,0,0,0|1,0,1]=4 87 B13R1.643 COC1=CC=CC(SCC(=O)O)=C1 4045170 [0,2,0,0,0,0|1,0,1]=4 88 B13R1.3420 CC1=CC(C)=CC(CCC(=O)O)=C1 4003119 [0,2,0,0,0,0|0,0,2]=4 89 B13R1.3420 CC1=CC(C)=CC(OCC(=O)O)=C1 3013808 [0,2,0,0,0,0|1,0,1]=4 90 B11R1.53 NCC1=CC=CC=C1C(=O)O 4028019 [0,0,1,1,0,0|1,0,1]=4 91 B11R1.266 C#CC1=CC(C(=O)O)=CC=C1 4004240 [0,0,1,1,0,0|0,0,2]=4 92 B11R2.1 O=C1NCC2=CC=CC=C12 4041876 [1,0,0,1,0,0|1,0,1]=4 93 B11R2.10 NC1=NC2=C(C=CC=C2)O1 4030771 [0,0,0,1,1,0|2,0,0]=4 94 B13R2.10 BrC1=NC(C2=CC=CC=C2)=CS1 4041506 [0,0,0,1,0,1|2,0,0]=4 95 B13R2.10 CC1=NC(C2=CC=CC=C2)=CN1 4030068 [0,0,0,1,0,1|2,0,0]=4 96 B13R2.10 O=C1NC=C(C2=CC=CC=C2)N1 4041435 [0,0,0,1,0,1|1,0,0]=3 97 B13R2.10 SC1=NC(C2=CC=CC=C2)=CN1 4010221 [0,0,0,1,0,1|1,1,0]=4 98 B13R2.72 N=C(N)C1=CNC2=CC=CC=C21 4009743 [0,0,0,1,0,1|2,0,0]=4 99 B13R2.72 O=C(O)C1=C2C=CC=NC2=NO1 4036425 [0,0,0,1,0,1|2,0,0]=4 100 B13R2.72 O=C(O)C1=CN=C2C=CC=NN12 4042130 [0,0,0,1,0,1|2,0,0]=4 101 B13R2.72 O=C(O)C1=COC2=CC=CC=C21 4041027 [0,0,0,1,0,1|0,0,0]=2 102 B13R2.72 OB(O)C1=CSC2=C1C=CC=C2 3200961 [0,0,0,1,0,1|1,0,1]=4 103 B13R2.155 NC1=CC=C2C=CC(=O)NC2=C1 4038499 [0,1,0,1,0,0|1,0,0]=3 104 B13R2.155 NC1=NC2=C(C=CC(=O)N2)C=C1 4027370 [0,1,0,1,0,0|2,0,0]=4 105 B13R2.155 O=C1C=CC2=CC=C(Br)C=C2N1 4037918 [0,1,0,1,0,0|1,0,0]=3 106 B13R2.155 OC1=CC=C2C=CC(Cl)=NC2=C1 4037458 [0,1,0,1,0,0|2,0,0]=4 107 B13R2.32 CC1=C(O)C2=NC=CC=C2C=C1 5175128 [0,1,0,1,0,0|2,0,0]=4 108 B13R2.32 CC1=C(O)C=CC2=CC=CC=C21 4021629 [0,1,0,1,0,0|1,0,0]=3 109 B13R2.32 OC1=C2N=CC=CC2=CC=C1F 4102020 [0,1,0,1,0,0|2,0,0]=4 110 B13R2.33 O=C1COC2=CC=CC=C2CN1 4027041 [0,1,0,1,0,0|1,0,1]=4 111 B13R2.57 N#CC1=CC=C2C=CC=CC2=N1 4045173 [0,1,0,1,0,0|2,0,0]=4 112 B13R2.57 NCC1=CC=C2C=CC=CC2=N1 4102058 [0,1,0,1,0,0|2,0,0]=4 113 B13R2.57 O=CC1=CC=C2C=CC=NC2=C1 4300501 [0,1,0,1,0,0|2,0,0]=4 114 B13R2.369 OC1=NC2=CC=CC=C2C=C1Br 4032198 [0,1,0,1,0,0|1,0,0]=3 115 B13R2.435 CC(=O)C1=CN2C=CC=CC2=C1 4002595 [0,1,0,1,0,0|2,0,0]=4 116 B13R2.435 CC(=O)C1=NC2=CC=CC=C2N1 4009570 [0,1,0,1,0,0|2,0,0]=4 117 B13R2.435 NC(=O)C1=CC2=CC=CC=C2S1 4045182 [0,1,0,1,0,0|1,0,0]=3 118 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 4088003 [0,1,0,1,0,0|1,0,0]=3 119 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 4089063 [0,1,0,1,0,0|1,0,0]=3 120 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 4401038 [0,1,0,1,0,0|1,0,0]=3 121 B13R2.435 O=C(O)C1=CN2C=CC=NC2=N1 4014386 [0,1,0,1,0,0|2,0,0]=4 122 B13R2.435 O=C(O)C1=NC2=C(N=CC=C2)N1 4108215 [0,1,0,1,0,0|2,0,0]=4 123 B13R2.435 O=C(O)C1=NC2=CC=CC=C2S1 4400806 [0,1,0,1,0,0|1,0,0]=3 124 B13R2.435 O=C(O)C1=NN2C=CC=NC2=C1 4088002 [0,1,0,1,0,0|2,0,0]=4 125 B13R2.435 O=C(O)C1=NN2C=CC=NC2=C1 4400923 [0,1,0,1,0,0|2,0,0]=4 126 B13R2.435 O=C([O-])C1=NC2=CC=CC=C2O1 4400848 [0,1,0,1,0,0|1,0,1]=4 127 B13R2.435 OB(O)C1=CC2=CC=CC=C2S1 4201819 [0,1,0,1,0,0|1,0,1]=4 128 B13R2.328 CC1=CC(Br)=NC2=CC=CC=C12 4049766 [0,1,0,1,0,0|2,0,0]=4 129 B13R2.328 ClC1=CC(Cl)=NC2=CC=CC=C12 4043546 [0,1,0,1,0,0|2,0,0]=4 130 B13R2.328 O=C1C=C(Cl)C2=CC=CC=C2N1 4001693 [0,1,0,1,0,0|1,0,0]=3 131 B13R2.328 OC1=CC2=CC=CC=C2C(Br)=C1 4038940 [0,1,0,1,0,0|1,0,0]=3 132 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=N1 4100117 [0,1,0,1,0,0|2,0,0]=4 133 B13R2.5179 O=C1C=CC2=C(Cl)C=CC=C2N1 4037741 [0,1,0,1,0,0|1,0,0]=3 134 B9R1.6 OB(O)C1=CC=CC=C1 4087996 [0,0,0,0,2,0|1,0,1]=4 135 B9R1.6 OB(O)C1=CC=CC=C1 4202242 [0,0,0,0,2,0|1,0,1]=4 136 B9R1.13 O=C(O)CN1C=CC=C1 4027952 [0,0,0,0,2,0|1,0,1]=4 137 B13R1.337 O=C(O)CCNCC1=CC=CC=C1 4091168 [0,0,0,0,0,2|0,0,2]=4 138 B13R1.337 O=C(O)CCNCC1=CC=CC=C1 5100474 [0,0,0,0,0,2|0,0,2]=4