0 B13R2.3028 C1=CC2=C(C=C1Br)C(=O)C(=O)N2 PI-20345 [0,0,0,0,0,0|1,1,1]=3 1 B13R2.3028 C1=CC2=C(C=C1Cl)C(=O)C(=O)N2 PI-11529 [0,0,0,0,0,0|1,1,1]=3 2 B13R2.3028 Cc1ccc2c(c1)C(=O)C(=O)N2 PI-11530 [0,0,0,0,0,0|2,0,1]=3 3 B13R2.3028 Fc1ccc2c(c1)C(=O)C(=O)N2 PI-22671 [0,0,0,0,0,0|1,0,1]=2 4 B13R2.3028 Ic1ccc2c(c1)C(=O)C(=O)N2 PI-18328 [0,0,0,0,0,0|1,1,1]=3 5 B12R2.18 CC1C2=C(NC1=O)N=CC=C2 PI-41265 [1,0,0,0,0,0|3,0,0]=4 6 B12R2.18 CN1C2=CC=CC=C2N=C1N PI-30188 [1,0,0,0,0,0|2,0,1]=4 7 B12R2.18 Cc1[nH]c2ccccc2c1C PI-11086 [1,0,0,0,0,0|3,0,0]=4 8 B12R2.18 Cn1c(C)cc2c1cccc2 PI-11083 [1,0,0,0,0,0|3,0,0]=4 9 B12R2.18 O=C1C(=O)Nc2ccccc12 PI-31744 [1,0,0,0,0,0|1,0,1]=3 10 B12R2.18 O=C1OC2=CC=CC=C2C1C PI-37207 [1,0,0,0,0,0|3,0,0]=4 11 B12R2.132 CC1=CNC2=C1C=C(C=C2)F PI-22695 [1,0,0,0,0,0|2,0,0]=3 12 B12R2.132 CC1=CSC2=C1C=C(C=C2)F PI-23747 [1,0,0,0,0,0|3,0,0]=4 13 B12R2.132 Clc1ccc2nnn(O)c2c1 PI-17754 [1,0,0,0,0,0|1,1,1]=4 14 B12R2.132 FC1=CC2=C(NN=C2Br)C=C1 PI-46755 [1,0,0,0,0,0|3,0,0]=4 15 B12R2.132 Oc1ccc2c(c1)c(C)c[nH]2 PI-36560 [1,0,0,0,0,0|3,0,0]=4 16 B12R2.606 C1=CC2=C(C=C1Br)NC(=N2)Cl PI-47255 [1,0,0,0,0,0|1,1,1]=4 17 B12R2.606 C1=CC2=C(C=C1Br)NC(=O)N2 PI-45071 [1,0,0,0,0,0|0,1,0]=2 18 B12R2.606 C1=CC2=C(C=C1Br)NC(=O)S2 PI-45345 [1,0,0,0,0,0|1,1,0]=3 19 B12R2.606 C1=CC2=C(C=C1Br)NC(=S)N2 PI-45216 [1,0,0,0,0,0|0,2,0]=3 20 B12R2.606 C1=CC2=C(C=C1Br)NC(=S)S2 PI-32978 [1,0,0,0,0,0|1,2,0]=4 21 B12R2.606 C1=CC2=C(C=C1Br)SC(=O)N2 PI-45346 [1,0,0,0,0,0|1,1,0]=3 22 B12R2.606 C1=CC2=C(C=C1Br)SC(=S)N2 PI-45333 [1,0,0,0,0,0|1,2,0]=4 23 B12R2.606 C1=CC2=C(C=C1Cl)NC(=O)S2 PI-12815 [1,0,0,0,0,0|1,1,0]=3 24 B12R2.606 C1=CC2=C(C=C1Cl)NC(=S)N2 PI-19368 [1,0,0,0,0,0|0,2,0]=3 25 B12R2.606 C1=CC2=C(C=C1Cl)NC(=S)S2 PI-28622 [1,0,0,0,0,0|1,2,0]=4 26 B12R2.606 C1=CC2=C(C=C1Cl)OC(=O)N2 PI-12045 [1,0,0,0,0,0|1,1,0]=3 27 B12R2.606 C1=CC2=C(C=C1Cl)OC(=S)N2 PI-12043 [1,0,0,0,0,0|1,2,0]=4 28 B12R2.606 C1=CC2=C(C=C1Cl)SC(=O)N2 PI-45343 [1,0,0,0,0,0|1,1,0]=3 29 B12R2.606 C1=CC2=C(C=C1Cl)SC(=S)N2 PI-45331 [1,0,0,0,0,0|1,2,0]=4 30 B12R2.606 C1=CC2=C(C=C1F)N=C(S2)Cl PI-45321 [1,0,0,0,0,0|2,0,1]=4 31 B12R2.606 C1=CC2=C(C=C1F)N=C(S2)N PI-45304 [1,0,0,0,0,0|2,0,1]=4 32 B12R2.606 C1=CC2=C(C=C1F)NC(=O)S2 PI-45348 [1,0,0,0,0,0|1,0,0]=2 33 B12R2.606 C1=CC2=C(C=C1F)NC(=S)N2 PI-45213 [1,0,0,0,0,0|0,1,0]=2 34 B12R2.606 C1=CC2=C(C=C1F)NC(=S)S2 PI-45335 [1,0,0,0,0,0|1,1,0]=3 35 B12R2.606 C1=CC2=C(C=C1F)SC(=N2)Cl PI-45322 [1,0,0,0,0,0|2,0,1]=4 36 B12R2.606 C1=CC2=C(C=C1F)SC(=O)N2 PI-45349 [1,0,0,0,0,0|1,0,0]=2 37 B12R2.606 C1=CC2=C(C=C1F)SC(=S)N2 PI-45336 [1,0,0,0,0,0|1,1,0]=3 38 B12R2.606 C1=CC2=C(C=C1N)NC(=O)N2 PI-28900 [1,0,0,0,0,0|1,0,0]=2 39 B12R2.606 C1=CC2=C(C=C1N)SC(=O)N2 PI-45354 [1,0,0,0,0,0|2,0,0]=3 40 B12R2.606 C1C(=O)CC2=C1C=CC(=C2)Br PI-32762 [1,0,0,0,0,0|2,1,0]=4 41 B12R2.606 C1C(=O)CC2=C1C=CC(=C2)F PI-32760 [1,0,0,0,0,0|2,0,0]=3 42 B12R2.606 C1C2=C(C=C(C=C2)F)NC1=O PI-22722 [1,0,0,0,0,0|1,0,0]=2 43 B12R2.606 C1C2=C(C=C(C=C2)I)NC1=O PI-48996 [1,0,0,0,0,0|1,1,0]=3 44 B12R2.606 C1C2=C(C=CC(=C2)Cl)NC1=O PI-10011 [1,0,0,0,0,0|1,1,0]=3 45 B12R2.606 C1C2=C(C=CC(=C2)I)NC1=O PI-48127 [1,0,0,0,0,0|1,1,0]=3 46 B12R2.606 CC1=CC2=C(C=C1)N=C(N2)C PI-45227 [1,0,0,0,0,0|2,0,1]=4 47 B12R2.606 CC1=CC2=C(C=C1)NC(=C2)C PI-23861 [1,0,0,0,0,0|3,0,0]=4 48 B12R2.606 CC1=CC2=C(C=C1)NC(=O)S2 PI-45351 [1,0,0,0,0,0|2,0,0]=3 49 B12R2.606 CC1=CC2=C(C=C1)NC(=S)N2 PI-11853 [1,0,0,0,0,0|1,1,0]=3 50 B12R2.606 CC1=CC2=C(C=C1)NC(=S)S2 PI-45338 [1,0,0,0,0,0|2,1,0]=4 51 B12R2.606 CC1=CC2=C(C=C1)SC(=S)N2 PI-45342 [1,0,0,0,0,0|2,1,0]=4 52 B12R2.606 CC1=CC2=C(N1)C=CC(=C2)Br PI-18077 [1,0,0,0,0,0|2,1,0]=4 53 B12R2.606 CC1=CC2=C(N1)C=CC(=C2)F PI-21877 [1,0,0,0,0,0|2,0,0]=3 54 B12R2.606 CC1=CC2=C(N1)C=CC(=C2)N PI-14108 [1,0,0,0,0,0|3,0,0]=4 55 B12R2.606 CC1=CC2=C(N1)C=CC(=C2)O PI-27141 [1,0,0,0,0,0|3,0,0]=4 56 B12R2.606 CC1=NC2=C(N1)C=C(C=C2)Br PI-45019 [1,0,0,0,0,0|1,1,1]=4 57 B12R2.606 CC1=NC2=C(N1)C=C(C=C2)Cl PI-32334 [1,0,0,0,0,0|1,1,1]=4 58 B12R2.606 CC1=NC2=C(N1)C=C(C=C2)F PI-45214 [1,0,0,0,0,0|1,0,1]=3 59 B12R2.606 CC1=NC2=C(N1)C=C(C=C2)I PI-48362 [1,0,0,0,0,0|1,1,1]=4 60 B12R2.606 CC=1NC2=C(C1)C=CC(=C2)Br PI-46796 [1,0,0,0,0,0|2,1,0]=4 61 B12R2.606 Clc1ccc2[nH]c(C)cc2c1 PI-27064 [1,0,0,0,0,0|2,1,0]=4 62 B12R2.606 FC1=CC=C2C(N=C(Cl)N2)=C1 PI-46728 [1,0,0,0,0,0|1,0,1]=3 63 B12R2.606 Fc1ccc2c(c1)sc(n2)Br PI-38240 [1,0,0,0,0,0|2,0,1]=4 64 B12R2.606 Fc1ccc2c(c1)sc(n2)N PI-10111 [1,0,0,0,0,0|2,0,1]=4 65 B12R2.606 Fc1ccc2sc(C)nc2c1 PI-28495 [1,0,0,0,0,0|2,0,1]=4 66 B12R2.606 NC1=CC=C2C(N=C(S)N2)=C1 PI-30424 [1,0,0,0,0,0|1,1,1]=4 67 B12R2.606 NC1=NC2=C(N1)C=C(Cl)C=C2 PI-11794 [1,0,0,0,0,0|1,1,1]=4 68 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)C1 PI-32761 [1,0,0,0,0,0|2,1,0]=4 69 B12R2.606 O=C1Cc2c(N1)cc(cc2)Br PI-14491 [1,0,0,0,0,0|1,1,0]=3 70 B12R2.606 O=C1Cc2ccc(Cl)cc2N1 PI-10012 [1,0,0,0,0,0|1,1,0]=3 71 B12R2.606 O=C1NC2=CC(F)=CC=C2N1 PI-46692 [1,0,0,0,0,0|0,0,0]=1 72 B12R2.606 O=C1Nc2c(C1)cc(cc2)Br PI-31105 [1,0,0,0,0,0|1,1,0]=3 73 B12R2.606 O=C1Nc2c(C1)cc(cc2)F PI-22697 [1,0,0,0,0,0|1,0,0]=2 74 B12R2.606 O=C1Nc2c(C1)cc(cc2)N PI-10591 [1,0,0,0,0,0|2,0,0]=3 75 B12R2.606 O=C1Nc2c(C1)cc(cc2)O PI-11085 [1,0,0,0,0,0|2,0,0]=3 76 B12R2.606 O=C1Oc2c(C1)cc(cc2)O PI-30406 [1,0,0,0,0,0|3,0,0]=4 77 B12R2.606 OC1=CC=C2SC(=O)OC2=C1 PI-34883 [1,0,0,0,0,0|3,0,0]=4 78 B14R2.645 C1=C2C(=CC(=C1F)Cl)NC(=O)C2=O PI-39893 [0,1,0,0,0,0|1,0,1]=3 79 B14R2.645 CC1=CC2=C(C=C1F)C(=O)C(=O)N2 PI-34494 [0,1,0,0,0,0|1,0,1]=3 80 B14R2.645 CC1=CC2=C(C=C1F)NC(=O)C2=O PI-34496 [0,1,0,0,0,0|2,0,1]=4 81 B14R2.645 O=C1Nc2cc(F)c(F)cc2C1=O PI-36131 [0,1,0,0,0,0|1,0,1]=3 82 B14R2.3274 COC1=CC2=C(C=C1)NC(=O)C2=O PI-29557 [0,1,0,0,0,0|2,0,1]=4 83 B14R2.4506 CC1=C(C2=C(C=C1)NC(=O)C2=O)Br PI-11531 [0,1,0,0,0,0|2,0,1]=4 84 B14R2.4506 O=C1NC2=C(C(Cl)=C(F)C=C2)C1=O PI-39891 [0,1,0,0,0,0|1,0,1]=3 85 B14R2.9184 CC1=CC(=CC2=C1NC(=O)C2=O)Cl PI-11533 [0,1,0,0,0,0|1,1,1]=4 86 B14R2.9184 CC1=CC2=C(C(=C1)F)NC(=O)C2=O PI-34498 [0,1,0,0,0,0|2,0,1]=4 87 B14R2.9184 ClC1=CC(Cl)=C2NC(=O)C(=O)C2=C1 PI-28708 [0,1,0,0,0,0|1,1,1]=4 88 B14R2.9184 O=C1NC2=C(C=C(Br)C=C2Br)C1=O PI-40285 [0,1,0,0,0,0|1,1,1]=4 89 B14R2.9184 O=C1NC2=C(C=C(F)C=C2C)C1=O PI-34495 [0,1,0,0,0,0|1,0,1]=3 90 B12R1.49 C1=CC(=CC=C1CC(=O)NN)Cl PI-50326 [0,0,1,0,0,0|2,1,0]=4 91 B12R1.49 C1=CC(=CC=C1CC(=O)NN)F PI-50267 [0,0,1,0,0,0|2,0,0]=3 92 B12R1.49 C1=CC(=CC=C1CC(=O)NN)O PI-50261 [0,0,1,0,0,0|3,0,0]=4 93 B12R1.49 C1=CC(=CC=C1NC(=O)CCl)Cl PI-20206 [0,0,1,0,0,0|2,1,0]=4 94 B12R1.49 C1=CC(=CC=C1NC(=O)CCl)F PI-15659 [0,0,1,0,0,0|2,0,0]=3 95 B12R1.49 C1=CC(=CC=C1NC(=S)NN)Br PI-22564 [0,0,1,0,0,0|1,2,0]=4 96 B12R1.49 C1=CC(=CC=C1NC(=S)NN)Cl PI-29363 [0,0,1,0,0,0|1,2,0]=4 97 B12R1.49 CC1=CC=C(C=C1)CC(=O)NN PI-50599 [0,0,1,0,0,0|3,0,0]=4 98 B12R1.49 COC(=O)CC1=CC=C(C=C1)F PI-50441 [0,0,1,0,0,0|3,0,0]=4 99 B12R1.49 FC1=CC=C(CC(=O)C=C)C=C1 PI-36344 [0,0,1,0,0,0|3,0,0]=4 100 B12R1.49 NNC(=S)Nc1ccc(cc1)C PI-24092 [0,0,1,0,0,0|2,1,0]=4 101 B12R1.225 OC(=O)C(O)c1cccc(Br)c1 PI-21550 [0,0,1,0,0,0|2,1,0]=4 102 B12R1.225 OC(=O)C(O)c1cccc(C)c1 PI-24801 [0,0,1,0,0,0|3,0,0]=4 103 B12R1.225 O[C@H](C1=CC=CC(Cl)=C1)C(O)=O PI-37323 [0,0,1,0,0,0|2,1,0]=4 104 B14R2.8235 Brc1ccc2[nH]c(=O)[nH]c(=O)c2c1 PI-36145 [0,0,0,0,0,1|1,1,1]=4 105 B14R2.8235 Brc1ccc2c(c1)c(O)cc(=O)o2 PI-15397 [0,0,0,0,0,1|2,1,0]=4 106 B14R2.8235 C1=CC2=C(C=C1Br)C(=O)OC(=O)N2 PI-14459 [0,0,0,0,0,1|1,1,1]=4 107 B14R2.8235 C1=CC2=C(C=C1Cl)C(=O)OC(=O)N2 PI-18561 [0,0,0,0,0,1|1,1,1]=4 108 B14R2.8235 C1=CC2=C(C=C1O)C(=O)OC(=O)N2 PI-20780 [0,0,0,0,0,1|2,0,1]=4 109 B14R2.8235 CC1=CC2=C(C=C1)NC(=O)OC2=O PI-18557 [0,0,0,0,0,1|2,0,1]=4 110 B14R2.8235 CC1=CC2=C(C=C1)OC(=O)C=C2O PI-15406 [0,0,0,0,0,1|3,0,0]=4 111 B14R2.8235 Cc1ccc2[nH]c(=O)[nH]c(=O)c2c1 PI-36220 [0,0,0,0,0,1|2,0,1]=4 112 B14R2.8235 Clc1ccc2c(c1)c(O)cc(=O)o2 PI-15400 [0,0,0,0,0,1|2,1,0]=4 113 B14R2.8235 FC1=CC2=C(NC(=O)OC2=O)C=C1 PI-32993 [0,0,0,0,0,1|1,0,1]=3 114 B14R2.8235 Fc1ccc2[nH]c(=O)oc(=O)c2c1 PI-28121 [0,0,0,0,0,1|1,0,1]=3 115 B14R2.8235 Fc1ccc2c(c1)c(O)cc(n2)C PI-29166 [0,0,0,0,0,1|2,0,1]=4 116 B14R2.8235 Fc1ccc2nc(O)nc(O)c2c1 PI-36227 [0,0,0,0,0,1|1,0,2]=4 117 B11R1.20 C1=CC(=CC=C1CC(=O)Cl)F PI-28554 [1,0,1,0,0,0|2,0,0]=4 118 B11R1.20 C1=CC(=CC=C1CC(=O)N)O PI-16441 [1,0,1,0,0,0|2,0,0]=4 119 B11R1.20 C1=CC(=CC=C1CC(=O)O)Br PI-12711 [1,0,1,0,0,0|1,1,0]=4 120 B11R1.20 C1=CC(=CC=C1CC(=O)O)Cl PI-32618 [1,0,1,0,0,0|1,1,0]=4 121 B11R1.20 C1=CC(=CC=C1CC(=O)O)N PI-25083 [1,0,1,0,0,0|2,0,0]=4 122 B11R1.20 C1=CC(=CC=C1CC(C)=O)F PI-39618 [1,0,1,0,0,0|2,0,0]=4 123 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br PI-24030 [1,0,1,0,0,0|1,1,0]=4 124 B11R1.20 CC(=O)NC1=CC=C(C=C1)F PI-34152 [1,0,1,0,0,0|1,0,0]=3 125 B11R1.20 CC(=O)NC1=CC=C(C=C1)S PI-26064 [1,0,1,0,0,0|2,0,0]=4 126 B11R1.20 CC(=O)OC1=CC=C(C=C1)F PI-16968 [1,0,1,0,0,0|2,0,0]=4 127 B11R1.20 CC1=CC=C(C=C1)CC(=O)O PI-30795 [1,0,1,0,0,0|2,0,0]=4 128 B11R1.20 CC1=CC=C(C=C1)NC(=O)N PI-24527 [1,0,1,0,0,0|1,0,0]=3 129 B11R1.20 CC1=CC=C(C=C1)NC(=S)N PI-24528 [1,0,1,0,0,0|1,1,0]=4 130 B11R1.20 NC(=S)Nc1ccc(cc1)Br PI-22567 [1,0,1,0,0,0|0,2,0]=4 131 B11R1.20 NC(=S)Nc1ccc(cc1)Cl PI-30541 [1,0,1,0,0,0|0,2,0]=4 132 B11R1.20 NC(=S)Nc1ccc(cc1)O PI-20852 [1,0,1,0,0,0|1,1,0]=4 133 B11R1.20 OC(=O)Cc1ccc(F)cc1 PI-16969 [1,0,1,0,0,0|1,0,0]=3 134 B11R1.20 OC(=O)Cc1ccc(I)cc1 PI-30230 [1,0,1,0,0,0|1,1,0]=4 135 B11R1.20 OC(=O)Cc1ccc(O)cc1 PI-11992 [1,0,1,0,0,0|2,0,0]=4 136 B11R1.20 OC(=O)Cc1ccc(S)cc1 PI-30560 [1,0,1,0,0,0|2,0,0]=4 137 B11R1.40 C1=CC=C(C=C1)CC(=O)NN PI-30983 [1,0,1,0,0,0|2,0,0]=4 138 B11R1.40 C1=CC=C(C=C1)NC(=S)NN PI-29671 [1,0,1,0,0,0|1,1,0]=4 139 B11R1.40 CNC(=S)Nc1ccccc1 PI-24288 [1,0,1,0,0,0|1,1,0]=4 140 B11R1.40 CNC(=S)Nc1ccccc1 PI-30591 [1,0,1,0,0,0|1,1,0]=4 141 B11R1.40 ClCC(=O)Nc1ccccc1 PI-15656 [1,0,1,0,0,0|2,0,0]=4 142 B11R1.37 C1=CC(=C(C=C1F)C#N)C=O PI-26905 [1,0,1,0,0,0|2,0,0]=4 143 B11R1.37 COc1cc(F)ccc1C=O PI-38318 [1,0,1,0,0,0|2,0,0]=4 144 B11R1.81 CC1=CC(=C(C=C1)NC=O)C PI-23924 [1,0,1,0,0,0|2,0,0]=4 145 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O PI-33913 [1,0,1,0,0,0|2,0,0]=4 146 B11R1.36 N[C@@H](c1ccccc1)C(=O)N PI-37984 [1,0,1,0,0,0|2,0,0]=4 147 B11R1.36 O[C@@H](C(=O)O)c1ccccc1 PI-10352 [1,0,1,0,0,0|2,0,0]=4 148 B11R1.36 O[C@@H](c1ccccc1)C(=O)O PI-10351 [1,0,1,0,0,0|2,0,0]=4 149 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br PI-50520 [1,0,1,0,0,0|1,1,0]=4 150 B11R1.157 CC(=O)NC1=CC(=CC=C1)F PI-23433 [1,0,1,0,0,0|1,0,0]=3 151 B11R1.157 CC(=O)NC1=CC=CC(=C1)N PI-17432 [1,0,1,0,0,0|2,0,0]=4 152 B11R1.157 CC(=O)OC1=CC(=CC=C1)F PI-26855 [1,0,1,0,0,0|2,0,0]=4 153 B11R1.157 CC1=CC(=CC=C1)NC(=S)N PI-24525 [1,0,1,0,0,0|1,1,0]=4 154 B11R1.157 NC(=S)Nc1cccc(c1)Br PI-22566 [1,0,1,0,0,0|0,2,0]=4 155 B11R1.157 NC(=S)Nc1cccc(c1)Cl PI-40813 [1,0,1,0,0,0|0,2,0]=4 156 B11R1.157 OC(=O)Cc1cccc(c1)F PI-16930 [1,0,1,0,0,0|2,0,0]=4 157 B11R1.167 C1=CC(=C(C=C1Br)C(=O)O)N PI-16097 [1,0,1,0,0,0|1,1,0]=4 158 B11R1.167 C1=CC(=C(C=C1F)C(=O)N)N PI-31251 [1,0,1,0,0,0|2,0,0]=4 159 B11R1.167 C1=CC(=C(C=C1F)C(=O)O)Br PI-16102 [1,0,1,0,0,0|2,0,0]=4 160 B11R1.167 C1=CC(=C(C=C1F)C(=O)O)O PI-28413 [1,0,1,0,0,0|2,0,0]=4 161 B11R1.167 C1=CC(=C(C=C1F)[N+](=O)[O-])N PI-28444 [1,0,1,0,0,0|0,0,2]=4 162 B11R1.167 CC(C1=CC(F)=CC=C1N)=O PI-46722 [1,0,1,0,0,0|2,0,0]=4 163 B11R1.167 Cc1ccc(c(c1)C(=O)O)N PI-11791 [1,0,1,0,0,0|2,0,0]=4 164 B11R1.167 Fc1ccc(F)c(c1)C(=O)O PI-16919 [1,0,1,0,0,0|2,0,0]=4 165 B11R1.167 Fc1ccc(I)c(c1)C(=O)O PI-34282 [1,0,1,0,0,0|2,0,0]=4 166 B11R1.167 Fc1ccc(c(c1)C(=O)O)C PI-16069 [1,0,1,0,0,0|2,0,0]=4 167 B11R1.167 Fc1ccc(c(c1)C(=O)O)N PI-16065 [1,0,1,0,0,0|1,0,0]=3 168 B11R1.167 Fc1ncc(c(c1)C(=O)O)N PI-32204 [1,0,1,0,0,0|2,0,0]=4 169 B11R1.167 Ic1ccc(N)c(c1)C(=O)O PI-16099 [1,0,1,0,0,0|1,1,0]=4 170 B11R1.167 NC1=CC(C(O)=O)=C(N)C=C1 PI-31741 [1,0,1,0,0,0|2,0,0]=4 171 B11R1.167 Nc1ccc(O)cc1C(O)=O PI-10210 [1,0,1,0,0,0|2,0,0]=4 172 B11R1.167 O=C(O)C1=CC(F)=CC=C1Cl PI-16104 [1,0,1,0,0,0|2,0,0]=4 173 B11R2.1 C1=CC=C2C(=C1)C(=CN2)Br PI-34828 [2,0,0,0,0,0|2,0,0]=4 174 B11R2.1 C1=CC=C2C(=C1)C(=CS2)O PI-14308 [2,0,0,0,0,0|2,0,0]=4 175 B11R2.1 CN1C=NC2=CC=CC=C21 PI-11703 [2,0,0,0,0,0|1,0,1]=4 176 B11R2.1 Cc1c[nH]c2c1cccc2 PI-10761 [2,0,0,0,0,0|2,0,0]=4 177 B11R2.1 Cn1ccc2ccccc12 PI-11080 [2,0,0,0,0,0|2,0,0]=4 178 B11R2.1 On1nnc2ccccc12 PI-15275 [2,0,0,0,0,0|1,0,1]=4 179 B11R2.1 On1nnc2ccccc12 PI-15359 [2,0,0,0,0,0|1,0,1]=4 180 B11R2.10 C1=CC2=C(NC(=O)O2)N=C1 PI-13499 [2,0,0,0,0,0|2,0,0]=4 181 B11R2.10 C1=CC=C2C(=C1)NC(=S)N2 PI-13021 [2,0,0,0,0,0|0,1,0]=3 182 B11R2.10 C1=CC=C2C(=C1)NC(=S)O2 PI-32430 [2,0,0,0,0,0|1,1,0]=4 183 B11R2.10 C1=CN=CC2=C1NC(=O)N2 PI-47254 [2,0,0,0,0,0|1,0,0]=3 184 B11R2.10 C1C(=O)CC2=CC=CC=C21 PI-11611 [2,0,0,0,0,0|2,0,0]=4 185 B11R2.10 CC1=CC2=CC=CC=C2N1 PI-31662 [2,0,0,0,0,0|2,0,0]=4 186 B11R2.10 CC1=NC2=CC=CC=C2N1 PI-11865 [2,0,0,0,0,0|1,0,1]=4 187 B11R2.10 Clc1nc2c([nH]1)cccc2 PI-31005 [2,0,0,0,0,0|1,0,1]=4 188 B11R2.10 Nc1nc2ccccc2[nH]1 PI-31350 [2,0,0,0,0,0|1,0,1]=4 189 B11R2.10 O=C1Cc2c(N1)cccc2 PI-11084 [2,0,0,0,0,0|1,0,0]=3 190 B11R2.10 O=C1Cc2ccccc2O1 PI-18682 [2,0,0,0,0,0|2,0,0]=4 191 B11R2.10 O=c1oc2ccccc2[nH]1 PI-11480 [2,0,0,0,0,0|1,0,0]=3 192 B11R2.10 O=c1sc2ccccc2[nH]1 PI-12052 [2,0,0,0,0,0|1,0,0]=3 193 B11R2.10 Oc1nc2ccccc2[nH]1 PI-16421 [2,0,0,0,0,0|0,0,2]=4 194 B11R2.36 Brc1ccc2[nH]ccc2c1 PI-20323 [2,0,0,0,0,0|1,1,0]=4 195 B11R2.36 Brc1ccc2c(c1)[nH]cc2 PI-10006 [2,0,0,0,0,0|1,1,0]=4 196 B11R2.36 C1=C2C(=CC=C1C)[NH]C=C2 PI-10262 [2,0,0,0,0,0|2,0,0]=4 197 B11R2.36 C1=CC(=CC2=C1C=CN2)F PI-10018 [2,0,0,0,0,0|1,0,0]=3 198 B11R2.36 C1=CC(=CC2=C1C=CN2)N PI-16826 [2,0,0,0,0,0|2,0,0]=4 199 B11R2.36 C1=CC2=C(C=C1Br)NC=N2 PI-44962 [2,0,0,0,0,0|0,1,1]=4 200 B11R2.36 C1=CC2=C(C=C1F)C=NN2 PI-34939 [2,0,0,0,0,0|2,0,0]=4 201 B11R2.36 C1=CC2=C(C=C1F)N=CS2 PI-45368 [2,0,0,0,0,0|1,0,1]=4 202 B11R2.36 C1=CC2=C(C=C1F)NC=N2 PI-45215 [2,0,0,0,0,0|0,0,1]=3 203 B11R2.36 C1=CC2=C(C=C1F)NN=C2 PI-34959 [2,0,0,0,0,0|2,0,0]=4 204 B11R2.36 C1=CC2=C(C=C1F)SC=N2 PI-45369 [2,0,0,0,0,0|1,0,1]=4 205 B11R2.36 C1=CC2=C(C=C1N)NC=N2 PI-34794 [2,0,0,0,0,0|1,0,1]=4 206 B11R2.36 C1=CC2=C(C=C1N)NC=N2 PI-45761 [2,0,0,0,0,0|1,0,1]=4 207 B11R2.36 C1=CC2=C(C=CN2)C=C1F PI-10017 [2,0,0,0,0,0|1,0,0]=3 208 B11R2.36 CC1=CC2=C(C=C1)N=CN2 PI-29770 [2,0,0,0,0,0|1,0,1]=4 209 B11R2.36 Cc1ccc2c(c1)[nH]cc2 PI-16265 [2,0,0,0,0,0|2,0,0]=4 210 B11R2.36 ClC1=CC2=C(C=C1)C=CN2 PI-20431 [2,0,0,0,0,0|1,1,0]=4 211 B11R2.36 Clc1ccc2c(c1)cc[nH]2 PI-10008 [2,0,0,0,0,0|1,1,0]=4 212 B11R2.36 Ic1ccc2[nH]ccc2c1 PI-29169 [2,0,0,0,0,0|1,1,0]=4 213 B11R2.36 Nc1ccc2c(c1)cc[nH]2 PI-16447 [2,0,0,0,0,0|2,0,0]=4 214 B11R2.36 Oc1ccc2[nH]ccc2c1 PI-10314 [2,0,0,0,0,0|2,0,0]=4 215 B11R2.36 Oc1ccc2cc[nH]c2c1 PI-16028 [2,0,0,0,0,0|2,0,0]=4 216 B11R2.36 Oc1ccc2nc[nH]c2c1 PI-36411 [2,0,0,0,0,0|1,0,1]=4 217 B13R1.19 O\N=C\C(=O)Nc1ccc(F)cc1 PI-11636 [0,1,1,0,0,0|0,0,1]=3 218 B13R1.133 C1=CC(=CC=C1N)NC(=O)C(=O)O PI-30042 [0,1,1,0,0,0|2,0,0]=4 219 B13R1.2679 C1=CC(=C(C=C1F)F)NC(=O)CCl PI-15658 [0,1,1,0,0,0|2,0,0]=4 220 B13R1.2879 C1=CC(=C(C=C1NC(=O)CCl)Cl)F PI-15680 [0,1,1,0,0,0|2,0,0]=4 221 B13R1.510 C1=CC(=C(C=C1C(C(=O)O)O)F)F PI-16855 [0,1,1,0,0,0|2,0,0]=4 222 B13R1.897 C1=CC(=C(C=C1F)C(C(=O)O)O)F PI-16853 [0,1,1,0,0,0|2,0,0]=4 223 B13R1.3423 OC(c1cc(F)cc(c1)F)C(=O)O PI-16856 [0,1,1,0,0,0|2,0,0]=4 224 B13R1.3768 C1=CC(=C(C(=C1)F)F)C(C(=O)O)O PI-32845 [0,1,1,0,0,0|2,0,0]=4 225 B13R2.3085 O=C1c2ccccc2N(C1=O)C PI-30280 [1,1,0,0,0,0|1,0,1]=4 226 B13R2.4825 C1=CC=C(Br)C2=C1C(=O)C(=O)N2 PI-35969 [1,1,0,0,0,0|1,0,1]=4 227 B13R2.4825 C1=CC=C(C2=C1C(C(=O)N2)=O)Cl PI-10411 [1,1,0,0,0,0|1,0,1]=4 228 B13R2.4825 O=C1Nc2c(F)cccc2C1=O PI-28370 [1,1,0,0,0,0|1,0,1]=4 229 B13R2.4825 O=C1Nc2c(I)cccc2C1=O PI-35973 [1,1,0,0,0,0|1,0,1]=4 230 B13R2.4856 C1=CC2=C(C(=C1)Br)C(=O)C(=O)N2 PI-35975 [1,1,0,0,0,0|1,0,1]=4 231 B13R2.4856 FC1=C2C(=CC=C1)NC(C2=O)=O PI-40288 [1,1,0,0,0,0|1,0,1]=4 232 B13R2.4856 O=C1Nc2cccc(I)c2C1=O PI-35976 [1,1,0,0,0,0|1,0,1]=4 233 B13R2.5190 C1=CC2=C(C=C1Br)NC(=O)C2=O PI-44938 [1,1,0,0,0,0|1,0,1]=4 234 B13R2.5190 C1=CC2=C(C=C1F)NC(=O)C2=O PI-40287 [1,1,0,0,0,0|1,0,1]=4 235 B13R2.5190 Clc1ccc2c(c1)NC(=O)C2=O PI-10574 [1,1,0,0,0,0|1,0,1]=4 236 B13R2.5190 Ic1ccc2c(c1)NC(=O)C2=O PI-35977 [1,1,0,0,0,0|1,0,1]=4 237 B13R2.2136 O=CC1=CNC2=C1C=C(F)C=C2 PI-27370 [1,1,0,0,0,0|1,0,1]=4 238 B13R2.43 C1=CC2=C(C=C1Br)NC(=C2)C=O PI-50071 [1,1,0,0,0,0|1,1,0]=4 239 B13R2.2121 COC1=CC2=C(C=C1)NC(=O)S2 PI-45352 [1,1,0,0,0,0|2,0,0]=4 240 B13R2.2121 COC1=CC2=C(C=C1)NC(=S)N2 PI-31170 [1,1,0,0,0,0|1,1,0]=4 241 B13R2.2121 COc1ccc2CC(=O)Nc2c1 PI-33951 [1,1,0,0,0,0|2,0,0]=4 242 B13R2.5397 C1=C(C=C2C(=C1Cl)NC(=O)S2)Cl PI-45358 [1,1,0,0,0,0|1,1,0]=4 243 B13R2.5397 C1C2=C(C=C(C=C2F)F)NC1=O PI-10014 [1,1,0,0,0,0|1,0,0]=3 244 B13R2.13083 C1=C2C(=CC(=C1Cl)Cl)NC(=S)N2 PI-45212 [1,1,0,0,0,0|0,2,0]=4 245 B13R2.13083 C1=C2C(=CC(=C1F)Cl)NC(=S)N2 PI-20065 [1,1,0,0,0,0|0,1,0]=3 246 B13R2.13083 C1C2=CC(=C(C=C2NC1=O)F)F PI-10015 [1,1,0,0,0,0|1,0,0]=3 247 B13R2.13083 CC1=CC2=C(C=C1N)NC(=O)N2 PI-28744 [1,1,0,0,0,0|1,0,0]=3 248 B13R2.13083 Nc1cc2[nH]c(=O)[nH]c2cc1N PI-38603 [1,1,0,0,0,0|1,0,0]=3 249 B13R2.3683 O=C1COc2c(N1)ccc(c2)F PI-39020 [0,0,1,1,0,0|1,0,0]=3 250 B13R2.662 C1=CC2=C(C=C1F)NC=C2C=O PI-23602 [0,0,1,1,0,0|2,0,0]=4 251 B11R1.22 BrCC(=O)c1ccc(F)cc1 PI-16507 [0,0,1,0,1,0|2,0,0]=4 252 B11R1.22 C1=CC(=CC=C1C(=NO)N)F PI-23442 [0,0,1,0,1,0|1,0,1]=4 253 B11R1.22 C1=CC(=CC=C1C(=O)C=O)F PI-41037 [0,0,1,0,1,0|1,0,1]=4 254 B11R1.22 C1=CC(=CC=C1C(=O)CCl)F PI-28553 [0,0,1,0,1,0|2,0,0]=4 255 B11R1.22 C1=CC(=CC=C1C(=O)CN)F PI-10226 [0,0,1,0,1,0|2,0,0]=4 256 B11R1.22 C1=CC(=CC=C1C(=O)CO)Br PI-30487 [0,0,1,0,1,0|1,1,0]=4 257 B11R1.22 C1=CC(=CC=C1C(=O)CO)Cl PI-30418 [0,0,1,0,1,0|1,1,0]=4 258 B11R1.22 C1=CC(=CC=C1C(=O)CO)F PI-30583 [0,0,1,0,1,0|1,0,0]=3 259 B11R1.22 C1=CC(=CC=C1C(=O)NN)Br PI-20532 [0,0,1,0,1,0|1,1,0]=4 260 B11R1.22 C1=CC(=CC=C1C(=O)NN)F PI-23456 [0,0,1,0,1,0|1,0,0]=3 261 B11R1.22 C1=CC(=CC=C1C(=O)NN)I PI-50270 [0,0,1,0,1,0|1,1,0]=4 262 B11R1.22 C1=CC(=CC=C1C(=O)NN)N PI-50237 [0,0,1,0,1,0|2,0,0]=4 263 B11R1.22 C1=CC(=CC=C1C(=O)NN)O PI-50238 [0,0,1,0,1,0|2,0,0]=4 264 B11R1.22 CC1=CC=C(C=C1)C(=O)NN PI-24359 [0,0,1,0,1,0|2,0,0]=4 265 B11R1.22 CNC(=O)c1ccc(cc1)N PI-38046 [0,0,1,0,1,0|2,0,0]=4 266 B11R1.22 NNC(=O)c1ccc(cc1)Cl PI-23138 [0,0,1,0,1,0|1,1,0]=4 267 B11R1.22 O=C(OC)C1=CC=C(F)C=C1 PI-16967 [0,0,1,0,1,0|2,0,0]=4 268 B13R1.14 C1=CC(=CC=C1OCC(=O)NN)F PI-50277 [0,0,1,0,0,1|2,0,0]=4 269 B13R2.328 C1=CC=C2C(=C1)C(=CC(=O)N2)[O-] PI-29605 [1,0,0,0,0,1|1,0,1]=4 270 B13R2.328 O=c1cc(O)c2ccccc2o1 PI-31737 [1,0,0,0,0,1|2,0,0]=4