0 B12R1.4 C1=CC(=CC=C1CC(=O)O)CBr PI-30129 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.4 CC(=O)NC1=CC=C(C=C1)C#N PI-10998 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.4 CC(=O)NC1=CC=C(C=C1)C=O PI-10856 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.4 CC(=O)NC1=CC=C(C=C1)CCl PI-26732 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.4 CC(=O)NC1=CC=C(C=C1)SC PI-26041 [0,0,0,0,0,0|1,1,0]=2 5 B12R1.4 CC(=O)OC1=CC=C(C=C1)C=C PI-26362 [0,0,0,0,0,0|2,0,1]=3 6 B12R1.4 CC(=O)OC1=CC=C(C=C1)C=O PI-27962 [0,0,0,0,0,0|3,0,0]=3 7 B12R1.4 CC(CC1=CC=C(C=C1)OC)N PI-49796 [0,0,0,0,0,0|1,0,1]=2 8 B12R1.4 CCC1=CC=C(C=C1)OC(=O)C PI-26566 [0,0,0,0,0,0|2,0,0]=2 9 B12R1.4 CCc1ccc(cc1)CC(=O)C PI-15443 [0,0,0,0,0,0|1,0,0]=1 10 B12R1.4 COC1=CC=C(C=C1)CC(=O)Cl PI-46936 [0,0,0,0,0,0|1,0,0]=1 11 B12R1.4 COc1ccc(cc1)CC(=O)C PI-12198 [0,0,0,0,0,0|0,0,0]=0 12 B12R1.4 COc1ccc(cc1)CC(=O)O PI-22754 [0,0,0,0,0,0|1,0,0]=1 13 B12R1.4 CSC1=CC=C(C=C1)CC(=O)O PI-30187 [0,0,0,0,0,0|1,1,0]=2 14 B12R1.4 OCc1ccc(cc1)CC(=O)O PI-30890 [0,0,0,0,0,0|3,0,0]=3 15 B12R1.4 OCc1ccc(cc1)NC(=O)C PI-26188 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.20 C1=CC(=CC=C1CC(=O)Cl)F PI-28554 [1,0,0,0,0,0|2,0,0]=3 17 B11R1.20 C1=CC(=CC=C1CC(=O)N)O PI-16441 [1,0,0,0,0,0|1,0,0]=2 18 B11R1.20 C1=CC(=CC=C1CC(=O)O)Br PI-12711 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.20 C1=CC(=CC=C1CC(=O)O)Cl PI-32618 [1,0,0,0,0,0|2,0,0]=3 20 B11R1.20 C1=CC(=CC=C1CC(=O)O)N PI-25083 [1,0,0,0,0,0|2,0,0]=3 21 B11R1.20 C1=CC(=CC=C1CC(C)=O)F PI-39618 [1,0,0,0,0,0|1,0,0]=2 22 B11R1.20 C1=CC(=CC=C1OC(=O)Cl)Cl PI-18893 [1,0,0,0,0,0|3,0,0]=4 23 B11R1.20 C1=CC(=NC=C1CC(=O)O)Cl PI-32201 [1,0,0,0,0,0|3,0,0]=4 24 B11R1.20 CC(=O)Cc1ccc(cc1)Br PI-38548 [1,0,0,0,0,0|1,0,0]=2 25 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 PI-26690 [1,0,0,0,0,0|1,0,1]=3 26 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br PI-24030 [1,0,0,0,0,0|2,0,0]=3 27 B11R1.20 CC(=O)NC1=CC=C(C=C1)F PI-34152 [1,0,0,0,0,0|2,0,0]=3 28 B11R1.20 CC(=O)NC1=CC=C(C=C1)S PI-26064 [1,0,0,0,0,0|1,1,0]=3 29 B11R1.20 CC(=O)NC1=NC=C(C=C1)N PI-14240 [1,0,0,0,0,0|3,0,0]=4 30 B11R1.20 CC(=O)OC1=CC=C(C=C1)F PI-16968 [1,0,0,0,0,0|2,0,0]=3 31 B11R1.20 CC(=O)OC1=CC=C(C=C1)O PI-49042 [1,0,0,0,0,0|1,0,0]=2 32 B11R1.20 CC(=O)Oc1ccc(cc1)Br PI-35155 [1,0,0,0,0,0|2,0,0]=3 33 B11R1.20 CC(=O)SC1=CC=C(C=C1)I PI-35183 [1,0,0,0,0,0|2,0,0]=3 34 B11R1.20 CC(C)CC1=CC=C(C=C1)Br PI-13179 [1,0,0,0,0,0|2,0,1]=4 35 B11R1.20 CC(OC1=CC=C(N)C=C1)=O PI-37062 [1,0,0,0,0,0|2,0,0]=3 36 B11R1.20 CC1=CC=C(C=C1)CC(=O)O PI-30795 [1,0,0,0,0,0|1,0,0]=2 37 B11R1.20 CC1=CC=C(C=C1)NC(=O)N PI-24527 [1,0,0,0,0,0|2,0,0]=3 38 B11R1.20 CC1=CC=C(C=C1)NC(=S)N PI-24528 [1,0,0,0,0,0|2,1,0]=4 39 B11R1.20 CC1=CN=C(C=C1)CC(=O)O PI-48028 [1,0,0,0,0,0|2,0,0]=3 40 B11R1.20 ClC(=O)Cc1ccc(Br)cc1 PI-22240 [1,0,0,0,0,0|2,0,0]=3 41 B11R1.20 ClC(=O)Cc1ccc(C)cc1 PI-24891 [1,0,0,0,0,0|1,0,0]=2 42 B11R1.20 ClC(=S)Oc1ccc(C)cc1 PI-24674 [1,0,0,0,0,0|2,1,0]=4 43 B11R1.20 NC(=S)Nc1ccc(cc1)O PI-20852 [1,0,0,0,0,0|2,1,0]=4 44 B11R1.20 OC(=O)Cc1ccc(F)cc1 PI-16969 [1,0,0,0,0,0|2,0,0]=3 45 B11R1.20 OC(=O)Cc1ccc(I)cc1 PI-30230 [1,0,0,0,0,0|2,0,0]=3 46 B11R1.20 OC(=O)Cc1ccc(O)cc1 PI-11992 [1,0,0,0,0,0|1,0,0]=2 47 B11R1.20 OC(=O)Cc1ccc(S)cc1 PI-30560 [1,0,0,0,0,0|1,1,0]=3 48 B11R1.83 CCCC1=CC=C(C=C1)C#C PI-30797 [1,0,0,0,0,0|1,0,2]=4 49 B11R1.83 CCCC1=CC=C(C=C1)C=O PI-27431 [1,0,0,0,0,0|2,0,1]=4 50 B11R1.83 COC1=CC=C(C=C1)CC#N PI-31718 [1,0,0,0,0,0|1,0,1]=3 51 B11R1.83 COC1=CC=C(C=C1)CCO PI-35236 [1,0,0,0,0,0|0,0,2]=3 52 B11R1.83 COC1=CC=C(C=C1)CNN PI-50561 [1,0,0,0,0,0|2,0,0]=3 53 B11R1.83 COC1=CC=C(C=C1)CNO PI-44099 [1,0,0,0,0,0|1,0,1]=3 54 B11R1.83 COCc1ccc(cc1)OC PI-35666 [1,0,0,0,0,0|1,0,0]=2 55 B11R1.83 COc1ccc(cc1)N=C=O PI-39302 [1,0,0,0,0,0|1,0,1]=3 56 B11R1.83 CSC1=CC=C(C=C1)CC#N PI-50651 [1,0,0,0,0,0|1,1,1]=4 57 B11R1.83 NCCc1ccc(OC)cc1 PI-31711 [1,0,0,0,0,0|1,0,1]=3 58 B13R1.4 COC1=CC=C(C=C1)CS(=O)(=O)Cl PI-43973 [0,1,0,0,0,0|2,0,0]=3 59 B13R1.5 CCC(=O)OC1=CC=C(C=C1)C=O PI-27641 [0,1,0,0,0,0|3,0,0]=4 60 B13R1.5 COC(=O)CC1=CC=C(C=C1)C#N PI-50503 [0,1,0,0,0,0|2,0,0]=3 61 B13R1.5 COC(=O)CC1=CC=C(C=C1)CBr PI-43975 [0,1,0,0,0,0|2,0,0]=3 62 B13R1.5 COC(=O)CC1=CC=C(C=C1)CO PI-50593 [0,1,0,0,0,0|2,0,0]=3 63 B13R1.5 COC1=CC=C(C=C1)CC(=O)NN PI-50357 [0,1,0,0,0,0|1,0,0]=2 64 B13R1.5 COC1=CC=C(C=C1)CC(=O)OC PI-50355 [0,1,0,0,0,0|0,0,0]=1 65 B13R1.5 COC1=CC=C(C=C1)NC(=S)NN PI-29569 [0,1,0,0,0,0|2,1,0]=4 66 B13R1.35 CC1=C(C=CC(=C1)CC(=O)O)OC PI-30633 [0,1,0,0,0,0|1,0,0]=2 67 B13R1.35 COC1=C(C=C(C=C1)CC(=O)O)Br PI-21560 [0,1,0,0,0,0|1,0,0]=2 68 B13R1.35 COC1=C(C=C(C=C1)CC(=O)O)F PI-23721 [0,1,0,0,0,0|1,0,0]=2 69 B13R1.35 COc1ccc(CC(=O)O)cc1O PI-20795 [0,1,0,0,0,0|1,0,0]=2 70 B13R1.36 CC(C(=O)C1=CC=C(C=C1)OC)Br PI-31563 [0,1,0,0,0,0|1,0,2]=4 71 B13R1.36 CC(C1=CC=C(C=C1)CBr)C(=O)O PI-31018 [0,1,0,0,0,0|3,0,0]=4 72 B13R1.36 CC(C1=CC=C(C=C1)CCl)C(=O)O PI-44150 [0,1,0,0,0,0|3,0,0]=4 73 B13R1.36 COC1=CC=C(C=C1)C(C(=O)O)N PI-36242 [0,1,0,0,0,0|1,0,0]=2 74 B13R1.36 COC1=CC=C(C=C1)C(C(=O)O)N PI-39650 [0,1,0,0,0,0|1,0,0]=2 75 B13R1.142 CC(=O)NC1=CC=C(C=C1)CC#N PI-26348 [0,1,0,0,0,0|2,0,1]=4 76 B13R1.142 CCOC1=CC=C(C=C1)CC(=O)O PI-30647 [0,1,0,0,0,0|1,0,0]=2 77 B13R1.142 CCOC1=CC=C(C=C1)NC(=O)C PI-49053 [0,1,0,0,0,0|1,0,0]=2 78 B13R1.142 CCOC1=CC=C(C=C1)NC(=O)N PI-50301 [0,1,0,0,0,0|2,0,0]=3 79 B13R1.585 B(C1=CC=C(C=C1)CC(=O)O)(O)O PI-49908 [0,1,0,0,0,0|3,0,0]=4 80 B13R1.585 C1=CC(=CC=C1CC(=O)[O-])[N+](=O)[O-] PI-30868 [0,1,0,0,0,0|3,0,0]=4 81 B13R1.585 CC(=O)CC1=CC=C(C=C1)[N+](=O)[O-] PI-30687 [0,1,0,0,0,0|2,0,0]=3 82 B13R1.585 CC(=O)NC1=CC=C(C=C1)C(O)=O PI-34030 [0,1,0,0,0,0|3,0,0]=4 83 B13R1.585 CC(=O)NC1=CC=C(C=C1)[N+](=O)[O-] PI-26042 [0,1,0,0,0,0|3,0,0]=4 84 B13R1.585 CC(=O)Nc1ccc(cc1)C(=O)C PI-26513 [0,1,0,0,0,0|2,0,0]=3 85 B13R1.585 CC(=O)Nc1ccc(cc1)C(=O)Cl PI-26185 [0,1,0,0,0,0|3,0,0]=4 86 B13R1.585 CC(=O)Nc1ccc(cc1)S(=O)[O-] PI-26180 [0,1,0,0,0,0|2,1,0]=4 87 B13R1.585 CC(=O)OC1=CC=C(C=C1)C(=O)O PI-32421 [0,1,0,0,0,0|3,0,0]=4 88 B13R1.585 CC(=O)Oc1ccc(cc1)[N+](=O)[O-] PI-10933 [0,1,0,0,0,0|3,0,0]=4 89 B13R1.585 CC(C)C1=CC=C(C=C1)CC(=O)O PI-30628 [0,1,0,0,0,0|2,0,0]=3 90 B13R1.585 CC(C)C1=CC=C(C=C1)OC(=O)C PI-22726 [0,1,0,0,0,0|2,0,0]=3 91 B13R1.585 CC(C)CC1=CC=C(C=C1)C(=O)C PI-12655 [0,1,0,0,0,0|2,0,1]=4 92 B13R1.585 O=C(O)C1=CC=C(NC(C)=O)C=C1 PI-38014 [0,1,0,0,0,0|3,0,0]=4 93 B13R1.585 O=C(O)CC1=CC=C([N+]([O-])=O)C=C1 PI-36832 [0,1,0,0,0,0|3,0,0]=4 94 B13R1.585 OB(c1ccc(cc1)NC(=O)C)O PI-25026 [0,1,0,0,0,0|3,0,0]=4 95 B13R1.585 OC(=O)Cc1ccc(cc1)N(C)C PI-30208 [0,1,0,0,0,0|2,0,0]=3 96 B13R1.653 COc1ccc(CC(=O)O)c(Br)c1 PI-30839 [0,1,0,0,0,0|1,0,0]=2 97 B13R2.2121 CC1=CC2=C(N1)C=CC(=C2)OC PI-29051 [0,0,0,1,0,0|2,0,0]=3 98 B13R2.2121 COC1=CC2=C(C=C1)N=C(N2)Cl PI-19172 [0,0,0,1,0,0|3,0,0]=4 99 B13R2.2121 COC1=CC2=C(C=C1)N=C(S2)Cl PI-19374 [0,0,0,1,0,0|2,1,0]=4 100 B13R2.2121 COC1=CC2=C(C=C1)NC(=O)S2 PI-45352 [0,0,0,1,0,0|2,0,0]=3 101 B13R2.2121 COC1=CC2=C(C=C1)NC(=S)N2 PI-31170 [0,0,0,1,0,0|2,1,0]=4 102 B13R2.2121 COC1=CC2=C(C=C1)NC(=S)S2 PI-45339 [0,0,0,1,0,0|2,1,0]=4 103 B13R2.2121 COC1=CC2=C(C=C1)SC(=N2)N PI-45300 [0,0,0,1,0,0|3,0,0]=4 104 B13R2.2121 COC1=CC=C2CC(=O)CC2=C1 PI-32103 [0,0,0,1,0,0|0,0,0]=1 105 B13R2.2121 COc1ccc2CC(=O)Nc2c1 PI-33951 [0,0,0,1,0,0|1,0,0]=2 106 B13R2.2121 COc1ccc2c(c1)sc(n2)N PI-14104 [0,0,0,1,0,0|2,1,0]=4 107 B11R1.3 BrCc1ccc(cc1)C(=O)O PI-11969 [0,0,0,0,1,0|3,0,0]=4 108 B11R1.3 C#CC1=CC=C(C=C1)C(=O)O PI-46517 [0,0,0,0,1,0|2,0,1]=4 109 B11R1.3 C1=CC(=CC=C1C(=O)O)NN PI-11467 [0,0,0,0,1,0|3,0,0]=4 110 B11R1.3 C1=CC(=CC=C1CO)C(=O)O PI-24305 [0,0,0,0,1,0|3,0,0]=4 111 B11R1.3 C=Cc1ccc(cc1)C(=O)O PI-30056 [0,0,0,0,1,0|2,0,1]=4 112 B11R1.3 CC(=O)C1=CC=C(C=C1)C#N PI-16159 [0,0,0,0,1,0|2,0,0]=3 113 B11R1.3 CC(=O)C1=CC=C(C=C1)C=O PI-27504 [0,0,0,0,1,0|2,0,0]=3 114 B11R1.3 CC(C1=CC=C(C=C1)OC)N PI-32643 [0,0,0,0,1,0|1,0,1]=3 115 B11R1.3 CC(C1=CC=C(SC)C=C1)=O PI-16796 [0,0,0,0,1,0|0,1,0]=2 116 B11R1.3 CC(O)C1=CC=C(OC)C=C1 PI-32585 [0,0,0,0,1,0|0,0,2]=3 117 B11R1.3 CCC1=CC=C(C=C1)C(=O)C PI-12886 [0,0,0,0,1,0|1,0,0]=2 118 B11R1.3 CCC1=CC=C(C=C1)C(=O)Cl PI-12125 [0,0,0,0,1,0|2,0,0]=3 119 B11R1.3 CCC1=CC=C(C=C1)C(=O)N PI-30492 [0,0,0,0,1,0|2,0,0]=3 120 B11R1.3 CNC1=CC=C(C=C1)[N+](=O)[O-] PI-26020 [0,0,0,0,1,0|3,0,0]=4 121 B11R1.3 COC1=CC=C(C=C1)C(=O)N PI-10932 [0,0,0,0,1,0|1,0,0]=2 122 B11R1.3 COC1=NC=C(C=C1)C(=S)N PI-26214 [0,0,0,0,1,0|2,1,0]=4 123 B11R1.3 COC1=NC=C(C=C1)[N+](=O)[O-] PI-16710 [0,0,0,0,1,0|3,0,0]=4 124 B11R1.3 COc1ccc(cc1)B(O)O PI-11577 [0,0,0,0,1,0|2,0,1]=4 125 B11R1.3 COc1ccc(cc1)C(=N)N PI-38826 [0,0,0,0,1,0|2,0,0]=3 126 B11R1.3 COc1ccc(cc1)C(=O)O PI-31764 [0,0,0,0,1,0|1,0,0]=2 127 B11R1.3 COc1ccc(cc1)C(Cl)=O PI-31760 [0,0,0,0,1,0|1,0,0]=2 128 B11R1.3 COc1ccc(cc1)[C@@H](N)C PI-32642 [0,0,0,0,1,0|1,0,1]=3 129 B11R1.3 COc1ccc(cn1)C(=O)O PI-28741 [0,0,0,0,1,0|2,0,0]=3 130 B11R1.3 COc1ccc(nc1)C(=O)O PI-38926 [0,0,0,0,1,0|2,0,0]=3 131 B11R1.3 COc1ncc(nc1)C(=O)O PI-38849 [0,0,0,0,1,0|3,0,0]=4 132 B11R1.3 CSC1=CC=C(C=C1)[N+](=O)[O-] PI-12010 [0,0,0,0,1,0|2,1,0]=4 133 B11R1.3 C[C@@H](C1=CC=C(C=C1)OC)O PI-49809 [0,0,0,0,1,0|0,0,2]=3 134 B11R1.3 ClCc1ccc(cc1)C(=O)O PI-16127 [0,0,0,0,1,0|3,0,0]=4 135 B11R1.3 N#Cc1ccc(cc1)C(=O)Cl PI-20292 [0,0,0,0,1,0|3,0,0]=4 136 B11R1.3 NC(=O)C1=CC=C(C=C1)C#N PI-30451 [0,0,0,0,1,0|3,0,0]=4 137 B11R1.3 NCc1ccc(cc1)C(=O)O PI-13119 [0,0,0,0,1,0|3,0,0]=4 138 B11R1.3 O=C(N)C1=CC=C(NN)C=C1 PI-41015 [0,0,0,0,1,0|3,0,0]=4 139 B11R1.3 O=C(O)C1=CC=C(CC)C=C1 PI-10223 [0,0,0,0,1,0|2,0,0]=3 140 B11R1.3 O=C(O)C1=CC=C(NN)C=C1 PI-27393 [0,0,0,0,1,0|3,0,0]=4 141 B11R1.3 O=Cc1ccc(cc1)C(=O)O PI-18766 [0,0,0,0,1,0|3,0,0]=4 142 B11R1.3 OC(=O)c1ccc(cc1)C#N PI-31249 [0,0,0,0,1,0|3,0,0]=4 143 B13R1.3 CC(COC1=CC=C(C=C1)OC)O PI-29595 [0,0,0,0,0,1|0,0,2]=3 144 B13R1.3 CN(C)CCC1=CC=C(C=C1)OC PI-49122 [0,0,0,0,0,1|2,0,0]=3 145 B13R1.3 COC1=CC=C(C=C1)CCC(=O)O PI-11503 [0,0,0,0,0,1|1,0,0]=2 146 B13R1.3 COC1=CC=C(C=C1)OCC(=O)N PI-29464 [0,0,0,0,0,1|1,0,0]=2 147 B13R1.3 COC1=CC=C(C=C1)OCC(=O)O PI-32588 [0,0,0,0,0,1|1,0,0]=2 148 B13R1.3 COC1=CC=C(C=C1)OCC(=S)N PI-29506 [0,0,0,0,0,1|1,1,0]=3 149 B13R1.3 COC1=CC=C(C=C1)\C=C\[N+](=O)[O-] PI-46513 [0,0,0,0,0,1|2,0,1]=4 150 B13R1.3 O=C(O)CNC1=CC=C(C#N)C=C1 PI-41138 [0,0,0,0,0,1|3,0,0]=4 151 B13R1.3 OCc1ccc(OCC(=O)O)cc1 PI-33775 [0,0,0,0,0,1|3,0,0]=4 152 B10R1.1 BrCCc1ccc(C)cc1 PI-21425 [2,0,0,0,0,0|1,0,1]=4 153 B10R1.1 BrCCc1ccc(cc1)O PI-19128 [2,0,0,0,0,0|1,0,1]=4 154 B10R1.1 C1=CC(=CC=C1CCO)O PI-29634 [2,0,0,0,0,0|0,0,2]=4 155 B10R1.1 CCCC1=CC=C(C=C1)Br PI-16232 [2,0,0,0,0,0|1,0,1]=4 156 B10R1.1 CCCC1=CC=C(C=C1)I PI-19089 [2,0,0,0,0,0|1,0,1]=4 157 B10R1.1 CCCC1=CC=C(C=C1)O PI-16209 [2,0,0,0,0,0|0,0,1]=3 158 B10R1.1 CCOc1ccc(cc1)O PI-27806 [2,0,0,0,0,0|1,0,1]=4 159 B10R1.1 CNCC1=CC=C(C=C1)N PI-30552 [2,0,0,0,0,0|2,0,0]=4 160 B10R1.1 N#CCC1=CC=C(O)C=C1 PI-11988 [2,0,0,0,0,0|1,0,1]=4 161 B10R1.1 N#CCc1ccc(cc1)C PI-12004 [2,0,0,0,0,0|1,0,1]=4 162 B10R1.1 NCCc1ccc(O)cc1 PI-16006 [2,0,0,0,0,0|1,0,1]=4 163 B10R1.1 NCCc1ccc(O)cc1 PI-16007 [2,0,0,0,0,0|1,0,1]=4 164 B10R1.1 O=C=Nc1ccc(cc1)C PI-11411 [2,0,0,0,0,0|1,0,1]=4 165 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-13521 [2,0,0,0,0,0|2,0,0]=4 166 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-16758 [2,0,0,0,0,0|2,0,0]=4 167 B10R1.18 C1=CC=C(C=C1)OC(=O)N PI-10948 [2,0,0,0,0,0|2,0,0]=4 168 B10R1.18 C1=CC=NC(=C1)CC(=O)O PI-16725 [2,0,0,0,0,0|2,0,0]=4 169 B10R1.18 C1=CC=[N+](C=C1)CC(=O)N PI-15939 [2,0,0,0,0,0|2,0,0]=4 170 B10R1.18 CC(=CC1=CC=CC=C1)C PI-47118 [2,0,0,0,0,0|1,0,1]=4 171 B10R1.18 CC(=O)CC1=CC=NC=C1 PI-24530 [2,0,0,0,0,0|1,0,0]=3 172 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-17935 [2,0,0,0,0,0|1,0,0]=3 173 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-30609 [2,0,0,0,0,0|1,0,0]=3 174 B10R1.18 CC(CC1=NC=CC=C1)=O PI-41787 [2,0,0,0,0,0|1,0,0]=3 175 B10R1.18 OC(=O)Cc1cccnc1 PI-28588 [2,0,0,0,0,0|2,0,0]=4 176 B10R1.18 OC(=O)Cc1ccncc1 PI-16726 [2,0,0,0,0,0|2,0,0]=4 177 B10R1.3 C1=CC(=CC=C1C=O)C#N PI-31014 [2,0,0,0,0,0|2,0,0]=4 178 B10R1.3 C1=CC(=CC=C1CBr)C=O PI-26695 [2,0,0,0,0,0|2,0,0]=4 179 B10R1.3 C1=CC(=CC=C1CCl)C=O PI-46952 [2,0,0,0,0,0|2,0,0]=4 180 B10R1.3 C1=CC(=CC=C1CO)C=O PI-48330 [2,0,0,0,0,0|2,0,0]=4 181 B10R1.3 CCC1=CC=C(C=C1)C#C PI-30582 [2,0,0,0,0,0|1,0,1]=4 182 B10R1.3 CCC1=CC=C(C=C1)NN PI-50515 [2,0,0,0,0,0|2,0,0]=4 183 B10R1.3 CCc1ccc(C=O)cc1 PI-36758 [2,0,0,0,0,0|1,0,0]=3 184 B10R1.3 COC1=CC=C(C=C1)C#N PI-11998 [2,0,0,0,0,0|1,0,1]=4 185 B10R1.3 COC1=CC=C(C=C1)CS PI-45776 [2,0,0,0,0,0|0,1,0]=3 186 B10R1.3 COC1=CC=C(CC)C=C1 PI-12098 [2,0,0,0,0,0|0,0,0]=2 187 B10R1.3 COC1=NC=C(C=C1)C=O PI-10317 [2,0,0,0,0,0|1,0,0]=3 188 B10R1.3 COc1ccc(cc1)C#C PI-30919 [2,0,0,0,0,0|0,0,2]=4 189 B10R1.3 COc1ccc(cc1)C=C PI-34180 [2,0,0,0,0,0|0,0,1]=3 190 B10R1.3 COc1ccc(cc1)SC PI-12000 [2,0,0,0,0,0|1,0,0]=3 191 B10R1.3 COc1ccc(nc1)C=O PI-39039 [2,0,0,0,0,0|1,0,0]=3 192 B10R1.3 CSC1=CC=C(C=C1)CO PI-30503 [2,0,0,0,0,0|0,1,1]=4 193 B10R1.3 CSc1ccc(cc1)C=O PI-27503 [2,0,0,0,0,0|0,1,0]=3 194 B10R1.3 ClCc1ccc(OC)cc1 PI-11999 [2,0,0,0,0,0|1,0,0]=3 195 B10R1.3 NCc1ccc(OC)cc1 PI-10970 [2,0,0,0,0,0|1,0,0]=3 196 B10R1.3 NNc1ccc(cc1)OC PI-25299 [2,0,0,0,0,0|2,0,0]=4 197 B10R1.3 O=Cc1ccc(C#C)cc1 PI-26824 [2,0,0,0,0,0|1,0,1]=4 198 B10R1.3 O=Cc1ccc(cc1)C=O PI-38472 [2,0,0,0,0,0|2,0,0]=4 199 B12R1.19 C1=C(C=C(C(=C1)F)Cl)CC(=O)O PI-28777 [1,1,0,0,0,0|2,0,0]=4 200 B12R1.19 C1=CC(=C(C=C1CC(=O)O)Br)O PI-10051 [1,1,0,0,0,0|1,0,0]=3 201 B12R1.19 C1=CC(=C(C=C1CC(=O)O)Cl)Cl PI-12710 [1,1,0,0,0,0|2,0,0]=4 202 B12R1.19 C1=CC(=C(C=C1CC(=O)O)Cl)O PI-30493 [1,1,0,0,0,0|1,0,0]=3 203 B12R1.19 C1=CC(=C(C=C1CC(=O)O)F)F PI-13375 [1,1,0,0,0,0|2,0,0]=4 204 B12R1.19 CC(=O)NC1=CC(=C(C=C1)Cl)N PI-11326 [1,1,0,0,0,0|2,0,0]=4 205 B12R1.19 CC(=O)NC1=CC(=C(C=C1)O)Cl PI-19534 [1,1,0,0,0,0|1,0,0]=3 206 B12R1.19 OC(=O)Cc1ccc(O)c(O)c1 PI-26031 [1,1,0,0,0,0|1,0,0]=3 207 B12R1.19 OC(=O)Cc1ccc(c(c1)F)C PI-23761 [1,1,0,0,0,0|1,0,0]=3 208 B12R1.19 OC(=O)Cc1ccc(c(c1)F)N PI-36900 [1,1,0,0,0,0|2,0,0]=4 209 B12R1.19 OC(=O)Cc1ccc(c(c1)F)O PI-30640 [1,1,0,0,0,0|1,0,0]=3 210 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Br PI-30107 [1,1,0,0,0,0|2,0,0]=4 211 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Cl PI-15413 [1,1,0,0,0,0|2,0,0]=4 212 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Cl PI-21861 [1,1,0,0,0,0|2,0,0]=4 213 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Cl PI-21862 [1,1,0,0,0,0|2,0,0]=4 214 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)F PI-16851 [1,1,0,0,0,0|2,0,0]=4 215 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)F PI-16852 [1,1,0,0,0,0|2,0,0]=4 216 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)O PI-27356 [1,1,0,0,0,0|1,0,0]=3 217 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)Br PI-12127 [1,1,0,0,0,0|2,0,0]=4 218 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)Cl PI-11218 [1,1,0,0,0,0|2,0,0]=4 219 B12R1.20 CC(C1=CC=C(C=C1)Cl)C(=O)O PI-30984 [1,1,0,0,0,0|2,0,0]=4 220 B12R1.20 CC(c1ccc(cc1)C)C(=O)O PI-11714 [1,1,0,0,0,0|1,0,0]=3 221 B12R1.20 NC(c1ccc(cc1)F)C(=O)O PI-10414 [1,1,0,0,0,0|2,0,0]=4 222 B12R1.20 OC(=O)[C@H](c1ccc(cc1)O)N PI-27478 [1,1,0,0,0,0|1,0,0]=3 223 B12R1.20 OC(c1ccc(cc1)F)C(=O)O PI-12126 [1,1,0,0,0,0|2,0,0]=4 224 B12R1.49 C1=CC(=CC=C1CC(=O)NN)Cl PI-50326 [1,1,0,0,0,0|2,0,0]=4 225 B12R1.49 C1=CC(=CC=C1CC(=O)NN)F PI-50267 [1,1,0,0,0,0|2,0,0]=4 226 B12R1.49 C1=CC(=CC=C1CC(=O)NN)O PI-50261 [1,1,0,0,0,0|1,0,0]=3 227 B12R1.49 C1=CC(=CC=C1NC(=O)CCl)Cl PI-20206 [1,1,0,0,0,0|2,0,0]=4 228 B12R1.49 C1=CC(=CC=C1NC(=O)CCl)F PI-15659 [1,1,0,0,0,0|2,0,0]=4 229 B12R1.49 CC1=CC=C(C=C1)CC(=O)NN PI-50599 [1,1,0,0,0,0|1,0,0]=3 230 B12R1.49 CCC(=O)SC1=CC=C(C=C1)C PI-19241 [1,1,0,0,0,0|1,0,0]=3 231 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br PI-50433 [1,1,0,0,0,0|1,0,0]=3 232 B12R1.49 COC(=O)CC1=CC=C(C=C1)Cl PI-13010 [1,1,0,0,0,0|1,0,0]=3 233 B12R1.49 COC(=O)CC1=CC=C(C=C1)F PI-50441 [1,1,0,0,0,0|1,0,0]=3 234 B12R1.49 COC(=O)CC1=CC=C(C=C1)N PI-50506 [1,1,0,0,0,0|1,0,0]=3 235 B12R1.49 COC(=O)CC1=CC=C(C=C1)O PI-11994 [1,1,0,0,0,0|0,0,0]=2 236 B12R1.49 COC(=O)Cc1ccc(cc1)C PI-12770 [1,1,0,0,0,0|0,0,0]=2 237 B12R1.49 FC1=CC=C(CC(=O)C=C)C=C1 PI-36344 [1,1,0,0,0,0|1,0,1]=4 238 B12R1.106 Cc1ccc(cc1)CS(=O)(=O)Cl PI-24456 [1,1,0,0,0,0|2,0,0]=4 239 B12R1.106 Fc1ccc(cc1)CS(=O)(=O)C PI-23499 [1,1,0,0,0,0|2,0,0]=4 240 B12R1.233 C1=CC(=C(C=C1Cl)Cl)CC(=O)O PI-11746 [1,1,0,0,0,0|2,0,0]=4 241 B12R1.233 C1=CC(=C(C=C1F)Br)CC(=O)O PI-44979 [1,1,0,0,0,0|2,0,0]=4 242 B12R1.233 C1=CC(=C(C=C1F)Cl)CC(=O)O PI-30228 [1,1,0,0,0,0|2,0,0]=4 243 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Br)F PI-28379 [1,1,0,0,0,0|2,0,0]=4 244 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Br)I PI-50165 [1,1,0,0,0,0|2,0,0]=4 245 B12R1.233 CC(=O)NC1=C(C=C(C=C1)F)Br PI-28019 [1,1,0,0,0,0|2,0,0]=4 246 B12R1.233 CC(=O)NC1=C(C=C(C=C1)F)F PI-34148 [1,1,0,0,0,0|2,0,0]=4 247 B12R1.233 CC(=O)NC1=C(C=C(C=C1)N)Cl PI-37796 [1,1,0,0,0,0|2,0,0]=4 248 B12R1.233 CC1=C(C=CC(=C1)Cl)NC(=O)C PI-20149 [1,1,0,0,0,0|2,0,0]=4 249 B12R1.233 CC1=CC(=C(C=C1)CC(=O)O)C PI-11754 [1,1,0,0,0,0|1,0,0]=3 250 B12R1.233 OC(=O)Cc1ccc(cc1Br)Cl PI-38895 [1,1,0,0,0,0|2,0,0]=4 251 B12R1.233 OC(=O)Cc1ccc(cc1F)Br PI-35230 [1,1,0,0,0,0|2,0,0]=4 252 B12R1.233 OC(=O)Cc1ccc(cc1F)F PI-13373 [1,1,0,0,0,0|2,0,0]=4 253 B12R1.5 CCC(=O)c1ccc(cc1)OC PI-11534 [1,1,0,0,0,0|0,0,2]=4 254 B12R1.5 COC1=CC=C(C=C1)C(=O)OC PI-31766 [1,1,0,0,0,0|1,0,1]=4 255 B12R1.71 COC1=CC=C(C=C1)CCCCl PI-19747 [1,1,0,0,0,0|0,0,1]=3 256 B12R1.71 COC1=CC=C(C=C1)CN=C=O PI-11440 [1,1,0,0,0,0|0,0,1]=3 257 B12R1.71 O=CCCc1ccc(OC)cc1 PI-13196 [1,1,0,0,0,0|0,0,0]=2 258 B12R1.71 OCCCc1ccc(cc1)OC PI-40026 [1,1,0,0,0,0|0,0,1]=3 259 B12R1.113 CCCC1=CC=C(C=C1)C(=O)C PI-12355 [1,1,0,0,0,0|1,0,1]=4 260 B12R1.116 CCOC1=CC=C(C=C1)CC#N PI-19832 [1,1,0,0,0,0|1,0,1]=4 261 B12R1.116 CCOC1=CC=C(C=C1)N=C=O PI-19444 [1,1,0,0,0,0|1,0,1]=4 262 B12R1.116 COCc1ccc(cc1)COC PI-31993 [1,1,0,0,0,0|1,0,0]=3 263 B12R1.288 C=CCc1ccc(OC)c(F)c1 PI-23724 [1,1,0,0,0,0|0,0,1]=3 264 B12R1.288 COC1=C(C=C(C=C1)CC#N)Br PI-21562 [1,1,0,0,0,0|1,0,1]=4 265 B12R1.288 COC1=C(C=C(C=C1)CC#N)F PI-35242 [1,1,0,0,0,0|1,0,1]=4 266 B12R1.288 COC1=C(C=C(C=C1)N=C=O)Cl PI-26527 [1,1,0,0,0,0|1,0,1]=4 267 B12R1.288 NCCc1ccc(OC)c(O)c1 PI-20793 [1,1,0,0,0,0|1,0,1]=4 268 B12R1.6 COC1=CC=C(C=C1)S(=O)(=O)Cl PI-24684 [0,1,0,0,1,0|2,0,0]=4 269 B12R1.48 CC(=O)C1=CC(=C(C=C1)OC)Cl PI-30545 [0,1,0,0,1,0|0,0,0]=2 270 B12R1.48 CC(=O)C1=CC(=C(C=C1)OC)I PI-30933 [0,1,0,0,1,0|0,0,0]=2 271 B12R1.48 CCC1=C(C=C(C=C1)C(=O)O)O PI-27034 [0,1,0,0,1,0|2,0,0]=4 272 B12R1.48 COC1=C(C=C(C=C1)C(=O)Cl)F PI-23716 [0,1,0,0,1,0|1,0,0]=3 273 B12R1.48 COC1=C(C=C(C=C1)C(=O)N)N PI-11538 [0,1,0,0,1,0|1,0,0]=3 274 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)Br PI-30998 [0,1,0,0,1,0|1,0,0]=3 275 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)F PI-13362 [0,1,0,0,1,0|1,0,0]=3 276 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)N PI-30426 [0,1,0,0,1,0|1,0,0]=3 277 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)O PI-10869 [0,1,0,0,1,0|1,0,0]=3 278 B12R1.48 COC1=C(C=C(C=C1)[N+](=O)[O-])Br PI-22191 [0,1,0,0,1,0|2,0,0]=4 279 B12R1.48 COC1=C(C=C(C=C1)[N+](=O)[O-])Cl PI-29624 [0,1,0,0,1,0|2,0,0]=4 280 B12R1.48 COC1=C(C=C(C=C1)[N+](=O)[O-])F PI-28551 [0,1,0,0,1,0|2,0,0]=4 281 B12R1.48 COC1=C(C=C(C=C1)[N+](=O)[O-])[O-] PI-27834 [0,1,0,0,1,0|2,0,0]=4 282 B12R1.48 COC1=C(C=C(C=N1)C(=O)O)F PI-50022 [0,1,0,0,1,0|2,0,0]=4 283 B12R1.48 COc1ccc(cc1Br)C(=O)C PI-21565 [0,1,0,0,1,0|0,0,0]=2 284 B12R1.48 COc1ccc(cc1Cl)C(=O)O PI-30550 [0,1,0,0,1,0|1,0,0]=3 285 B12R1.48 COc1ccc(cc1F)C(=O)C PI-16157 [0,1,0,0,1,0|0,0,0]=2 286 B12R1.48 COc1ccc(cc1I)[N+](=O)[O-] PI-13703 [0,1,0,0,1,0|2,0,0]=4 287 B12R1.48 COc1ccc(cc1O)[N+](=O)[O-] PI-15695 [0,1,0,0,1,0|2,0,0]=4 288 B12R1.48 COc1ccc(nc1Br)C(=O)O PI-38347 [0,1,0,0,1,0|2,0,0]=4 289 B12R1.256 B(C1=CC=C(C=C1)C(=O)C)(O)O PI-16433 [0,1,0,0,1,0|2,0,0]=4 290 B12R1.256 CC(=C)C1=CC=C(C=C1)C(=C)C PI-50178 [0,1,0,0,1,0|2,0,0]=4 291 B12R1.256 CC(=O)C1=CC=C(C=C1)C(=O)C PI-29027 [0,1,0,0,1,0|1,0,0]=3 292 B12R1.256 CC(=O)C1=CC=C(C=C1)N(C)C PI-29338 [0,1,0,0,1,0|1,0,0]=3 293 B12R1.256 CC(=O)c1ccc(cc1)C(=O)O PI-10308 [0,1,0,0,1,0|2,0,0]=4 294 B12R1.256 CC(C)C1=CC=C(C=C1)C(=O)C PI-12756 [0,1,0,0,1,0|1,0,0]=3 295 B12R1.256 CC(C)C1=CC=C(C=C1)C(=O)O PI-10224 [0,1,0,0,1,0|2,0,0]=4 296 B12R1.256 CC(C)C1=NC=C(C=C1)C(=O)C PI-44046 [0,1,0,0,1,0|2,0,0]=4 297 B12R1.256 CC(C1=CC=C(C=C1)C(=O)N)O PI-44117 [0,1,0,0,1,0|2,0,0]=4 298 B12R1.256 CN(c1ccc(cc1)C(=O)O)C PI-33461 [0,1,0,0,1,0|2,0,0]=4 299 B12R1.452 C1=CC(=CC(=C1C(O)=O)N)OC PI-41092 [0,1,0,0,1,0|1,0,0]=3 300 B12R1.452 CC(=O)C1=C(C=C(C=C1)OC)F PI-12716 [0,1,0,0,1,0|0,0,0]=2 301 B12R1.452 CC(=O)C1=C(C=C(C=C1)OC)N PI-30608 [0,1,0,0,1,0|0,0,0]=2 302 B12R1.452 CC(=O)C1=C(C=C(C=C1)OC)O PI-11034 [0,1,0,0,1,0|0,0,0]=2 303 B12R1.452 CC1=C(C=CC(=C1)OC)[N+](=O)[O-] PI-26719 [0,1,0,0,1,0|2,0,0]=4 304 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)Cl PI-33352 [0,1,0,0,1,0|1,0,0]=3 305 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)I PI-50080 [0,1,0,0,1,0|1,0,0]=3 306 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)O PI-10049 [0,1,0,0,1,0|1,0,0]=3 307 B12R1.452 COC1=CC(=C(C=C1)[N+](=O)[O-])F PI-29599 [0,1,0,0,1,0|2,0,0]=4 308 B12R1.452 COc1ccc(C(=O)N)c(O)c1 PI-32435 [0,1,0,0,1,0|1,0,0]=3 309 B12R1.452 COc1ccc(c(c1)F)[N+](=O)[O-] PI-36894 [0,1,0,0,1,0|2,0,0]=4 310 B12R1.452 COc1ccc(c(c1)I)[N+](=O)[O-] PI-29347 [0,1,0,0,1,0|2,0,0]=4 311 B12R1.452 COc1ccc(c(c1)O)[N+](=O)[O-] PI-29863 [0,1,0,0,1,0|2,0,0]=4 312 B12R1.452 O=[N+](C1=CC=C(OC)C=C1Cl)[O-] PI-41816 [0,1,0,0,1,0|2,0,0]=4 313 B14R1.2 COc1ccc(cc1)C(=O)CC(=O)C PI-38960 [0,1,0,0,0,1|0,0,0]=2 314 B14R1.3 CN(C)C(=O)CC1=CC=C(C=C1)OC PI-10961 [0,1,0,0,0,1|2,0,0]=4 315 B14R1.3 COC1=CC=C(C=C1)CC(C(=O)O)N PI-28493 [0,1,0,0,0,1|1,0,0]=3 316 B14R1.3 COC1=CC=C(C=C1)NC(=S)C(=O)N PI-16317 [0,1,0,0,0,1|1,0,1]=4 317 B14R1.3 COc1ccc(cc1)C[C@H](N)C(=O)O PI-16294 [0,1,0,0,0,1|1,0,0]=3 318 B14R1.3 COc1ccc(cc1)C[C@H](N)C(=O)O PI-28013 [0,1,0,0,0,1|1,0,0]=3 319 B14R1.5 COC1=CC=C(C=C1)C=CC(=O)OC PI-12925 [0,1,0,0,0,1|0,0,1]=3 320 B14R1.5 COC1=CC=C(C=C1)CCC(=O)NN PI-50408 [0,1,0,0,0,1|1,0,0]=3 321 B14R1.419 B(C1=CC=C(C=C1)CNC(=O)C)(O)O PI-19942 [0,1,0,0,0,1|2,0,0]=4 322 B14R1.419 CC(=O)C1=CC=C(C=C1)OCC(=O)O PI-29283 [0,1,0,0,0,1|2,0,0]=4 323 B14R1.419 CC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-] PI-26804 [0,1,0,0,0,1|2,0,0]=4 324 B14R1.419 CC(C)C1=CC=C(C=C1)OCC(=O)O PI-19180 [0,1,0,0,0,1|2,0,0]=4 325 B14R1.419 CN(C)C1=CC=C(C=C1)CCC(=O)O PI-50206 [0,1,0,0,0,1|2,0,0]=4 326 B14R1.3653 COC1=C(C=C(C=C1)C=CC(=O)O)O PI-25650 [0,1,0,0,0,1|1,0,1]=4 327 B14R1.24 CCOC1=CC=C(C=C1)CC(=O)NN PI-50453 [0,2,0,0,0,0|1,0,0]=3 328 B14R1.954 CCOC(=O)CC1=CC=C(C=C1)OC PI-50356 [0,2,0,0,0,0|0,0,0]=2 329 B14R1.954 CCOC(=O)CC1=CC=C(C=C1)SC PI-32850 [0,2,0,0,0,0|0,1,0]=3 330 B14R1.2879 CC(C)C1=CC=C(C=C1)NC(=O)CCl PI-19157 [0,2,0,0,0,0|2,0,0]=4 331 B14R1.2879 COC(=O)CC1=CC=C(C=C1)[N+](=O)[O-] PI-50437 [0,2,0,0,0,0|2,0,0]=4 332 B14R1.3651 CC(=O)CC1=CC(=C(C=C1)OC)OC PI-12160 [0,2,0,0,0,0|0,0,0]=2 333 B14R1.3651 COC1=C(C=C(C=C1)CC(=O)Cl)OC PI-30039 [0,2,0,0,0,0|1,0,0]=3 334 B14R1.3651 COC1=C(C=C(C=C1)CC(=S)N)OC PI-23351 [0,2,0,0,0,0|1,1,0]=4 335 B14R1.3651 COc1cc(ccc1OC)CC(=O)O PI-32560 [0,2,0,0,0,0|1,0,0]=3 336 B14R1.3652 COc1ccc(cc1O)C(C(=O)O)O PI-27527 [0,2,0,0,0,0|1,0,0]=3 337 B14R1.5801 CC(=O)C1=C(C=C(C=C1)OC(=O)C)O PI-29589 [0,2,0,0,0,0|2,0,0]=4 338 B14R1.5801 CC1=C(C=CC(=C1)NC(=O)C)C(=O)C PI-30508 [0,2,0,0,0,0|2,0,0]=4 339 B14R1.213 CCC1=CC=C(C=C1)C(C)(C)C(=O)O PI-46010 [0,2,0,0,0,0|2,0,0]=4 340 B14R1.68 CC(=O)NC1=CC=C(C=C1)OCC=C PI-30835 [0,2,0,0,0,0|1,0,0]=3 341 B14R1.717 CC(=O)NC1=CC=C(C=C1)C(=O)CCl PI-29132 [0,2,0,0,0,0|2,0,0]=4 342 B14R1.805 CC(=O)NC1=CC=C(C=C1)CC(=O)O PI-21688 [0,2,0,0,0,0|2,0,0]=4 343 B14R1.805 CC(=O)Nc1ccc(cc1)NC(=O)C PI-30135 [0,2,0,0,0,0|2,0,0]=4 344 B14R1.124 CC(=O)C1=CC(=C(C=C1)NC(=O)C)Br PI-26026 [0,2,0,0,0,0|2,0,0]=4 345 B14R1.806 CC(=O)NC1=CC=C(C=C1)C(C)(C)C PI-22869 [0,2,0,0,0,0|2,0,0]=4 346 B14R1.806 CC(C)(C)C1=CC=C(C=C1)CC(=O)O PI-15645 [0,2,0,0,0,0|2,0,0]=4 347 B14R1.806 OC(=O)Cc1ccc(cc1)S(=O)(=O)C PI-30975 [0,2,0,0,0,0|1,1,0]=4 348 B14R1.101 COc1cc(OC)ccc1CC(=O)O PI-21295 [0,2,0,0,0,0|1,0,0]=3 349 B12R1.453 COc1ccc(c(c1)C(=O)C)O PI-29865 [0,0,1,1,0,0|1,0,1]=4 350 B12R2.606 C1C(=O)CC2=C1C=CC(=C2)Br PI-32762 [1,0,0,1,0,0|1,0,0]=3 351 B12R2.606 C1C(=O)CC2=C1C=CC(=C2)F PI-32760 [1,0,0,1,0,0|1,0,0]=3 352 B12R2.606 C1C2=C(C=C(C=C2)F)NC1=O PI-22722 [1,0,0,1,0,0|2,0,0]=4 353 B12R2.606 C1C2=C(C=C(C=C2)I)NC1=O PI-48996 [1,0,0,1,0,0|2,0,0]=4 354 B12R2.606 C1C2=C(C=CC(=C2)Cl)NC1=O PI-10011 [1,0,0,1,0,0|2,0,0]=4 355 B12R2.606 C1C2=C(C=CC(=C2)I)NC1=O PI-48127 [1,0,0,1,0,0|2,0,0]=4 356 B12R2.606 CC1=CC2=C(C=C1)N=C(N2)C PI-45227 [1,0,0,1,0,0|2,0,0]=4 357 B12R2.606 CC1=CC2=C(C=C1)N=C(S2)C PI-45362 [1,0,0,1,0,0|1,1,0]=4 358 B12R2.606 CC1=CC2=C(C=C1)NC(=C2)C PI-23861 [1,0,0,1,0,0|2,0,0]=4 359 B12R2.606 CC1=CC2=C(C=C1)NC(=O)S2 PI-45351 [1,0,0,1,0,0|2,0,0]=4 360 B12R2.606 CC1=CC2=C(C=C1)OC(=N2)C PI-28651 [1,0,0,1,0,0|2,0,0]=4 361 B12R2.606 CC1=CC2=C(N1)C=CC(=C2)O PI-27141 [1,0,0,1,0,0|2,0,0]=4 362 B12R2.606 CC1=NC2=C(O1)C=CC(=C2)O PI-34999 [1,0,0,1,0,0|2,0,0]=4 363 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)C1 PI-32761 [1,0,0,1,0,0|1,0,0]=3 364 B12R2.606 O=C1Cc2c(N1)cc(cc2)Br PI-14491 [1,0,0,1,0,0|2,0,0]=4 365 B12R2.606 O=C1Cc2ccc(Cl)cc2N1 PI-10012 [1,0,0,1,0,0|2,0,0]=4 366 B12R2.606 O=C1Nc2c(C1)cc(cc2)Br PI-31105 [1,0,0,1,0,0|2,0,0]=4 367 B12R2.606 O=C1Nc2c(C1)cc(cc2)F PI-22697 [1,0,0,1,0,0|2,0,0]=4 368 B12R2.606 O=C1Nc2c(C1)cc(cc2)N PI-10591 [1,0,0,1,0,0|2,0,0]=4 369 B12R2.606 O=C1Nc2c(C1)cc(cc2)O PI-11085 [1,0,0,1,0,0|1,0,0]=3 370 B12R2.606 O=C1Oc2c(C1)cc(cc2)O PI-30406 [1,0,0,1,0,0|1,0,0]=3 371 B12R2.606 OC1=CC=C2SC(=O)OC2=C1 PI-34883 [1,0,0,1,0,0|2,0,0]=4 372 B12R2.44 COC1=CC2=C(C=C1)N=CS2 PI-45370 [1,0,0,1,0,0|1,1,0]=4 373 B12R2.44 COC1=CC2=C(C=C1)NCC2 PI-36188 [1,0,0,1,0,0|1,0,1]=4 374 B12R2.44 COC1=CC2=C(CNC2)C=C1 PI-48286 [1,0,0,1,0,0|1,0,0]=3 375 B12R2.44 COc1ccc2[nH]ccc2c1 PI-20326 [1,0,0,1,0,0|1,0,1]=4 376 B12R2.44 COc1ccc2c(c1)[nH]cc2 PI-22794 [1,0,0,1,0,0|1,0,1]=4 377 B12R2.44 COc1ccc2c(c1)cco2 PI-17717 [1,0,0,1,0,0|1,0,1]=4 378 B12R2.1384 O=C(C1=CC=C2CCC2=C1)O PI-40929 [0,0,0,1,1,0|2,0,0]=4 379 B14R2.134 COC1=CC2=C(C=C1)C=CC(=O)O2 PI-20386 [0,0,0,1,0,1|1,0,1]=4 380 B14R2.134 COC1=CC2=C(CCC(C2)N)C=C1 PI-32098 [0,0,0,1,0,1|1,0,1]=4 381 B14R2.134 COc1ccc2c(c1)CC(=O)CC2 PI-16516 [0,0,0,1,0,1|0,0,0]=2 382 B14R2.328 COC1=CC=C(C=C1)OCC2CO2 PI-13277 [0,0,0,1,0,1|0,0,2]=4 383 B14R2.2332 COc1ccc2CC(=O)CCc2c1 PI-16454 [0,1,0,1,0,0|0,0,0]=2 384 B14R2.2332 COc1ccc2nc(C)ccc2c1 PI-16514 [0,1,0,1,0,0|2,0,0]=4 385 B14R2.3274 COC1=CC2=C(C=C1)NC(=O)C2=O PI-29557 [0,1,0,1,0,0|1,0,1]=4 386 B14R2.3304 COC1=CC2=C(C=C1)C=C(O2)C=O PI-45425 [0,1,0,1,0,0|1,0,1]=4 387 B14R2.1008 ClC(=O)Cc1ccc2OCOc2c1 PI-14793 [0,1,0,1,0,0|1,0,0]=3 388 B14R2.1008 OC(=O)Cc1ccc2c(c1)OCO2 PI-26528 [0,1,0,1,0,0|1,0,0]=3 389 B14R2.3302 CC1=CC2=C(N1)C=CC(=C2F)OC PI-33846 [0,1,0,1,0,0|2,0,0]=4 390 B14R2.1815 CC=1N(C)C2=C(C1)C=C(C=C2)OC PI-27270 [0,1,0,1,0,0|2,0,0]=4 391 B14R2.1815 COc1ccc2c(c1)NC(=O)C2=O PI-35970 [0,1,0,1,0,0|1,0,1]=4 392 B14R2.6400 CCOC1=CC2=C(C=C1)NC(=O)S2 PI-45353 [0,1,0,1,0,0|2,0,0]=4 393 B14R2.601 CC(=O)C1=CC2=C(C=C1)NC(=O)C2 PI-11093 [0,1,0,1,0,0|2,0,0]=4 394 B14R2.601 O=C1Cc2c(C1)cc(cc2)[N+](=O)[O-] PI-32764 [0,1,0,1,0,0|2,0,0]=4 395 B10R1.13 Brc1ccc(cc1)C(=O)O PI-27741 [1,0,0,0,1,0|2,0,0]=4 396 B10R1.13 C1=CC(=CC=C1C(=O)Cl)F PI-11984 [1,0,0,0,1,0|2,0,0]=4 397 B10R1.13 C1=CC(=CC=C1C(=O)N)Cl PI-30790 [1,0,0,0,1,0|2,0,0]=4 398 B10R1.13 C1=CC(=CC=C1C(=O)N)O PI-20729 [1,0,0,0,1,0|1,0,0]=3 399 B10R1.13 C1=CC(=CC=C1C(=O)O)I PI-12206 [1,0,0,0,1,0|2,0,0]=4 400 B10R1.13 C1=CC(=CC=C1C(=O)O)S PI-11996 [1,0,0,0,1,0|1,1,0]=4 401 B10R1.13 C1=CC(=CC=C1C(=O)[O-])F PI-28585 [1,0,0,0,1,0|2,0,0]=4 402 B10R1.13 C1=CC(=CC=C1C(N)=O)F PI-28843 [1,0,0,0,1,0|2,0,0]=4 403 B10R1.13 CC(=O)C1=CC=C(C=C1)Br PI-44871 [1,0,0,0,1,0|1,0,0]=3 404 B10R1.13 CC(=O)C1=CC=C(C=C1)N PI-29588 [1,0,0,0,1,0|1,0,0]=3 405 B10R1.13 CC(=O)C1=CN=C(C=C1)N PI-34884 [1,0,0,0,1,0|2,0,0]=4 406 B10R1.13 CC(=O)C1=NC=C(C=C1)Br PI-41220 [1,0,0,0,1,0|2,0,0]=4 407 B10R1.13 CC(=O)c1ccc(cc1)I PI-29117 [1,0,0,0,1,0|1,0,0]=3 408 B10R1.13 CC(C1=CC=C(O)C=C1)=O PI-37424 [1,0,0,0,1,0|0,0,0]=2 409 B10R1.13 CC1=CC=C(C=C1)C(=N)N PI-29803 [1,0,0,0,1,0|2,0,0]=4 410 B10R1.13 CC1=CC=C(C=C1)C(=O)C PI-32267 [1,0,0,0,1,0|0,0,0]=2 411 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl PI-34220 [1,0,0,0,1,0|1,0,0]=3 412 B10R1.13 CC1=CC=C(C=C1)C(=S)N PI-30352 [1,0,0,0,1,0|1,1,0]=4 413 B10R1.13 CC1=CC=C(C=C1)C(C)O PI-32578 [1,0,0,0,1,0|0,0,2]=4 414 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O PI-49806 [1,0,0,0,1,0|0,0,2]=4 415 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O PI-49807 [1,0,0,0,1,0|0,0,2]=4 416 B10R1.13 CC1=NC=C(C=C1)C(=O)C PI-34864 [1,0,0,0,1,0|1,0,0]=3 417 B10R1.13 C[C@H](C1=CC=C(C=C1)O)O PI-49819 [1,0,0,0,1,0|0,0,2]=4 418 B10R1.13 Cc1ccc(cc1)C(C)C PI-39397 [1,0,0,0,1,0|1,0,1]=4 419 B10R1.13 Cc1ccc(cc1)S(=O)O PI-38460 [1,0,0,0,1,0|2,0,0]=4 420 B10R1.13 Cc1ccc(cn1)C(=O)O PI-16698 [1,0,0,0,1,0|2,0,0]=4 421 B10R1.13 ClC(=O)c1ccc(Cl)cc1 PI-34309 [1,0,0,0,1,0|2,0,0]=4 422 B10R1.13 ClC(=O)c1ccc(cc1)Br PI-11966 [1,0,0,0,1,0|2,0,0]=4 423 B10R1.13 ClC(=O)c1ccc(cc1)C PI-32402 [1,0,0,0,1,0|1,0,0]=3 424 B10R1.13 Fc1ccc(cc1)C(=O)O PI-16490 [1,0,0,0,1,0|2,0,0]=4 425 B10R1.13 NC(=O)c1ccc(cc1)Br PI-30860 [1,0,0,0,1,0|2,0,0]=4 426 B10R1.13 NC(=S)c1ccc(cc1)O PI-20877 [1,0,0,0,1,0|1,1,0]=4 427 B10R1.13 Nc1ccc(cc1)C(=O)N PI-38043 [1,0,0,0,1,0|2,0,0]=4 428 B10R1.13 O=C(N)C1=CC=C(I)C=C1 PI-41985 [1,0,0,0,1,0|2,0,0]=4 429 B10R1.13 O=C(N)C1=CN=C(C)C=C1 PI-37349 [1,0,0,0,1,0|2,0,0]=4 430 B10R1.13 O=[S@@](C1=CC=C(C)C=C1)N PI-41430 [1,0,0,0,1,0|2,0,0]=4 431 B10R1.13 O=[S@](C1=CC=C(C)C=C1)N PI-41427 [1,0,0,0,1,0|2,0,0]=4 432 B10R1.13 Oc1ccc(cc1)C(=N)N PI-20730 [1,0,0,0,1,0|2,0,0]=4 433 B10R1.54 CC1=CSC(=C1)CC(=O)C PI-48378 [1,0,0,0,1,0|1,0,0]=3 434 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O PI-11519 [1,0,0,0,0,1|1,0,1]=4 435 B12R1.21 C1=CC(=CC=C1CCC(=O)O)Br PI-22539 [1,0,0,0,0,1|2,0,0]=4 436 B12R1.21 C1=CC(=CC=C1CCC(=O)O)F PI-16999 [1,0,0,0,0,1|2,0,0]=4 437 B12R1.21 C1=CC(=CC=C1N)SCC(=O)O PI-17023 [1,0,0,0,0,1|2,0,0]=4 438 B12R1.21 C1=CC(=CC=C1NCC(=O)O)O PI-17923 [1,0,0,0,0,1|1,0,0]=3 439 B12R1.21 C1=CC(=CC=C1OCC(=O)Cl)Cl PI-48840 [1,0,0,0,0,1|2,0,0]=4 440 B12R1.21 C1=CC(=CC=C1OCC(=O)O)Br PI-11970 [1,0,0,0,0,1|2,0,0]=4 441 B12R1.21 C1=CC(=CC=C1OCC(=O)O)Cl PI-32616 [1,0,0,0,0,1|2,0,0]=4 442 B12R1.21 C1=CC(=CC=C1OCC(=O)O)F PI-10469 [1,0,0,0,0,1|2,0,0]=4 443 B12R1.21 C1=CC(=CC=C1OCC(=O)O)I PI-12100 [1,0,0,0,0,1|2,0,0]=4 444 B12R1.21 C1=CC(=CC=C1OCC(=O)[O-])Cl PI-48839 [1,0,0,0,0,1|2,0,0]=4 445 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O PI-29472 [1,0,0,0,0,1|0,0,1]=3 446 B12R1.21 CC(=O)CSC1=CC=C(C=C1)Cl PI-30390 [1,0,0,0,0,1|1,0,0]=3 447 B12R1.21 CC(=O)NNC1=CC=C(C=C1)Br PI-50329 [1,0,0,0,0,1|2,0,0]=4 448 B12R1.21 CC(CCC1=CC=C(O)C=C1)=O PI-37298 [1,0,0,0,0,1|0,0,0]=2 449 B12R1.21 CC1=CC=C(C=C1)C=CC(=O)O PI-11523 [1,0,0,0,0,1|1,0,1]=4 450 B12R1.21 CN(C)CCC1=CC=C(C=C1)O PI-20840 [1,0,0,0,0,1|2,0,0]=4 451 B12R1.21 CN(C)CCC1=CC=C(C=C1)O PI-21785 [1,0,0,0,0,1|2,0,0]=4 452 B12R1.21 C[C@H](CCc1ccc(cc1)O)O PI-38464 [1,0,0,0,0,1|0,0,2]=4 453 B12R1.21 ClC(=O)COc1ccc(F)cc1 PI-23819 [1,0,0,0,0,1|2,0,0]=4 454 B12R1.21 OC(=O)CCc1ccc(O)cc1 PI-11883 [1,0,0,0,0,1|1,0,0]=3 455 B12R1.21 OC(=O)CCc1ccc(cc1)C PI-12005 [1,0,0,0,0,1|1,0,0]=3 456 B12R1.21 OC(=O)CCc1ccc(cc1)Cl PI-11982 [1,0,0,0,0,1|2,0,0]=4 457 B12R1.21 OC(=O)CNc1ccc(cc1)F PI-38811 [1,0,0,0,0,1|2,0,0]=4 458 B12R1.21 OC(=O)COc1ccc(C)cc1 PI-30986 [1,0,0,0,0,1|1,0,0]=3 459 B12R1.21 OC(=O)\C=C\c1ccc(cc1)O PI-20417 [1,0,0,0,0,1|1,0,1]=4 460 B12R1.438 COC1=CC=CC(=C1)CC(=O)O PI-15442 [0,0,0,0,1,1|1,0,0]=3 461 B14R1.4 COC1=CC=C(C=C1)CCCC(=O)O PI-31197 [0,0,0,0,0,2|1,0,0]=3