0 B9R1.35 B(C1=CC=C(S1)C)(O)O 5597 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.35 C1=C(OC(=C1)Br)C(=O)O 6446 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.35 C1=C(SC(=C1)Br)C(=O)O 6855 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.35 C1=C(SC(=C1)Cl)C(=O)Cl 10677 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.35 C1=C(SC(=N1)Br)C(=O)O 5706 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.35 C1=C(SC=C1Br)C(=O)O 5005 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.35 CC(=O)C1=CC=C(S1)Br 9665 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.35 CC1=CC=C(S1)C(=O)C 10140 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.35 CC1=CC=C(S1)C(=O)O 6693 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.35 CN1C=C(C=N1)C(=O)O 5080 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.35 CN1C=C(N=C1)C(=O)O 8619 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.1 C1=C(SC=C1Br)C=O 8987 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.1 CC1=NC(=CS1)CO M0721 [1,0,0,0,0,0|1,0,1]=3 13 B8R1.1 CC1=NOC(=C1)CO M0741 [1,0,0,0,0,0|2,0,1]=4 14 B8R1.1 CN1C=C(C=N1)C=O 8131 [1,0,0,0,0,0|2,0,0]=3 15 B8R1.7 B(C1=CSC=C1)(O)O 5537 [1,0,0,0,0,0|1,0,1]=3 16 B8R1.7 B(C1=CSC=C1)(O)O 8743 [1,0,0,0,0,0|1,0,1]=3 17 B8R1.7 C1=C(C=NN1)C(=O)O 9820 [1,0,0,0,0,0|2,0,0]=3 18 B8R1.7 C1=C(NC=N1)C(=O)O 6466 [1,0,0,0,0,0|2,0,0]=3 19 B8R1.7 C1=C(NN=C1)C(=O)O 5200 [1,0,0,0,0,0|2,0,0]=3 20 B8R1.7 C1=C(ON=C1)C(=O)O 6510 [1,0,0,0,0,0|2,0,0]=3 21 B8R1.7 C1=CNC(=C1)C(=O)O 8130 [1,0,0,0,0,0|2,0,0]=3 22 B8R1.7 C1=CON=C1C(=O)O I8529 [1,0,0,0,0,0|1,1,0]=3 23 B8R1.7 C1=CSC(=C1)C(=O)O 5487 [1,0,0,0,0,0|2,0,0]=3 24 B8R1.7 C1=CSC(=C1)C(=O)[O-] 8282 [1,0,0,0,0,0|2,0,1]=4 25 B8R1.7 C1=CSC(=N1)C(=O)O 9615 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.7 C1=NNC(=N1)C(=O)O 10072 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.7 CC(=O)C1=CC=CS1 8482 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.7 CC(=O)C1=CC=CS1 8660 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.14 COC(=O)C1=CC(=O)NO1 10528 [0,1,0,0,0,0|3,0,0]=4 30 B10R1.14 COC(=O)C1=CN=C(S1)N 6734 [0,1,0,0,0,0|3,0,0]=4 31 B10R1.59 CC(=O)C1=C(SC(=C1)Cl)Cl 6023 [0,1,0,0,0,0|2,0,0]=3 32 B10R1.59 CC1=C(SC(=N1)C)C(=O)O 8236 [0,1,0,0,0,0|2,0,0]=3 33 B10R1.194 Cc1c(cnn1C)C(=O)O D1289 [0,1,0,0,0,0|2,0,0]=3 34 B8R0.23 C=C(CC(=O)O)C(=O)O 5233 [0,0,1,0,0,0|1,1,1]=4 35 B10R1.13 B(C1=CC=C(C=C1)C)(O)O 5425 [0,0,0,0,0,1|2,0,1]=4 36 B10R1.13 B(C1=CC=C(C=C1)C)(O)O 9510 [0,0,0,0,0,1|2,0,1]=4 37 B10R1.13 C1=C(N=CC(=N1)Cl)C(=O)O 8658 [0,0,0,0,0,1|2,0,0]=3 38 B10R1.13 C1=CC(=CC=C1C(=O)Cl)F 9898 [0,0,0,0,0,1|3,0,0]=4 39 B10R1.13 C1=CC(=CC=C1C(=O)O)Cl 6827 [0,0,0,0,0,1|2,0,0]=3 40 B10R1.13 C1=CC(=CC=C1C(=O)O)F 5362 [0,0,0,0,0,1|2,0,0]=3 41 B10R1.13 C1=CC(=CC=C1C(=O)O)F 8250 [0,0,0,0,0,1|2,0,0]=3 42 B10R1.13 C1=CC(=NC=C1C(=O)O)Br 6594 [0,0,0,0,0,1|2,0,0]=3 43 B10R1.13 C1=CC(=NC=C1C(=O)O)F 8791 [0,0,0,0,0,1|2,0,0]=3 44 B10R1.13 C1=CC(=NC=C1C(=O)O)N 5220 [0,0,0,0,0,1|2,0,0]=3 45 B10R1.13 C1=CC(=NC=C1Cl)C(=O)O 9363 [0,0,0,0,0,1|2,0,0]=3 46 B10R1.13 C1=CC(=NC=C1N)C(=O)O 5702 [0,0,0,0,0,1|2,0,0]=3 47 B10R1.13 C1=CC(=NN=C1C(=O)O)Cl 6730 [0,0,0,0,0,1|3,0,0]=4 48 B10R1.13 C1=CC(=O)NC=C1C(=O)O 9694 [0,0,0,0,0,1|2,0,0]=3 49 B10R1.13 C1=C[N+](=CC=C1C(=O)O)[O-] 8865 [0,0,0,0,0,1|3,0,0]=4 50 B10R1.13 CC(=O)C1=CC=C(C=C1)I 9277 [0,0,0,0,0,1|3,0,0]=4 51 B10R1.13 CC(=O)C1=CC=C(C=C1)O 8298 [0,0,0,0,0,1|3,0,0]=4 52 B10R1.13 CC(=O)C1=CN=C(C=C1)Cl 9976 [0,0,0,0,0,1|3,0,0]=4 53 B10R1.13 CC1=CC=C(C=C1)C(=O)O 9874 [0,0,0,0,0,1|1,0,0]=2 54 B10R1.13 CC1=NC=C(N=C1)C(=O)O 9695 [0,0,0,0,0,1|1,0,0]=2 55 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] N0068 [0,0,0,0,0,1|2,0,1]=4 56 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] N0068 [0,0,0,0,0,1|2,0,1]=4 57 B10R1.113 C1=C(C=NC=C1Br)C(=O)N 5683 [0,0,0,0,0,1|3,0,0]=4 58 B10R1.113 C1=C(C=NC=C1Cl)C(=O)O 10525 [0,0,0,0,0,1|2,0,0]=3 59 B10R1.113 C1=C(C=NC=C1N)C(=O)O 9365 [0,0,0,0,0,1|2,0,0]=3 60 B10R1.113 C1=C(C=NC=C1O)C(=O)O 5442 [0,0,0,0,0,1|2,0,0]=3 61 B10R1.113 C1=CC(=CC(=C1)F)C(=O)Cl 8192 [0,0,0,0,0,1|3,0,0]=4 62 B10R1.113 C1=CC(=CC(=C1)F)C(=O)O 6085 [0,0,0,0,0,1|2,0,0]=3 63 B10R1.113 C1=CC(=CC(=C1)I)C(=O)O 8319 [0,0,0,0,0,1|2,0,0]=3 64 B10R1.113 C1=CC(=NC(=C1)Cl)C(=O)O 5646 [0,0,0,0,0,1|3,0,0]=4 65 B10R1.113 C1=CC(=NC(=C1)Cl)C(=O)O 5677 [0,0,0,0,0,1|3,0,0]=4 66 B10R1.113 C1=CC(=NC(=C1)N)C(=O)O 5464 [0,0,0,0,0,1|3,0,0]=4 67 B10R1.113 C1=CC(=O)NC(=C1)C(=O)O 6697 [0,0,0,0,0,1|3,0,0]=4 68 B10R1.113 C1=CN=C(C=C1Br)C(=O)O 5698 [0,0,0,0,0,1|2,0,0]=3 69 B10R1.113 C1=CN=C(C=C1C(=O)N)Cl 5659 [0,0,0,0,0,1|3,0,0]=4 70 B10R1.113 C1=CN=C(C=C1C(=O)O)Cl 6443 [0,0,0,0,0,1|2,0,0]=3 71 B10R1.113 C1=CN=C(C=C1Cl)C(=O)O 9386 [0,0,0,0,0,1|2,0,0]=3 72 B10R1.113 C1=CNC(=O)C=C1C(=O)O 5040 [0,0,0,0,0,1|2,0,0]=3 73 B10R1.113 C1=CNC(=O)C=C1C(=O)O 8855 [0,0,0,0,0,1|2,0,0]=3 74 B10R1.113 CC(=O)C1=CC(=CC=C1)Cl 10105 [0,0,0,0,0,1|3,0,0]=4 75 B10R1.113 CC(=O)C1=CC(=CC=C1)F 8337 [0,0,0,0,0,1|3,0,0]=4 76 B10R1.113 CC(=O)C1=CC(=CC=C1)I 6861 [0,0,0,0,0,1|3,0,0]=4 77 B10R1.113 CC(=O)C1=CC(=CC=C1)O 5263 [0,0,0,0,0,1|3,0,0]=4 78 B10R1.113 CC1=CN=CC(=C1)C(=O)O 9194 [0,0,0,0,0,1|1,0,0]=2 79 B10R1.113 CC1=NC=CC(=C1)[N+](=O)[O-] 8373 [0,0,0,0,0,1|2,0,1]=4 80 B7R0.6 C(=C/C(=O)O)/C(=O)N 5513 [1,0,1,0,0,0|1,1,0]=4 81 B7R1.1 C1=CSC=C1C#N 8541 [2,0,0,0,0,0|1,0,1]=4 82 B7R1.1 c1cc(oc1)C=O F0018 [2,0,0,0,0,0|2,0,0]=4 83 B7R1.1 c1cc(sc1)C=O T0002 [2,0,0,0,0,0|2,0,0]=4 84 B7R1.2 CC1=CC(=O)NO1 9631 [2,0,0,0,0,0|1,1,0]=4 85 B7R1.2 CC1=CSC(=N1)C 6124 [2,0,0,0,0,0|1,0,1]=4 86 B7R1.2 Cc1csc(n1)C D0198 [2,0,0,0,0,0|1,0,1]=4 87 B9R1.11 COC(=O)C1=CC=NN1 6618 [1,1,0,0,0,0|2,0,0]=4 88 B9R1.11 COC(=O)C1=CN=CN1 10237 [1,1,0,0,0,0|2,0,0]=4 89 B9R1.41 C1=CSC(=C1Br)C(=O)O 5474 [1,1,0,0,0,0|2,0,0]=4 90 B9R1.41 C1=NNC(=C1C(=O)O)N 8614 [1,1,0,0,0,0|2,0,0]=4 91 B9R1.41 CC1=C(SC=N1)C(=O)O 8869 [1,1,0,0,0,0|2,0,0]=4 92 B9R1.41 CN1C(=CC=N1)C(=O)O 8611 [1,1,0,0,0,0|2,0,0]=4 93 B9R1.41 Cc1ccoc1C(=O)O M0024 [1,1,0,0,0,0|2,0,0]=4 94 B11R1.3 C1=CC(=CC=C1C=O)C(=O)O 6784 [0,1,0,0,0,1|1,0,1]=4 95 B11R1.3 C1=CC(=CC=C1CN)C(=O)O 6756 [0,1,0,0,0,1|1,0,0]=3 96 B11R1.3 COC1=CC=C(C=C1)C(=O)O 10197 [0,1,0,0,0,1|1,0,0]=3 97 B11R1.3 COC1=NC=C(C=C1)C(=O)O 6684 [0,1,0,0,0,1|1,0,0]=3 98 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O 5499 [0,1,0,0,0,1|2,0,0]=4 99 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O 8893 [0,1,0,0,0,1|2,0,0]=4 100 B11R1.21 C1=CC(=C(C=C1C(=O)O)Br)Cl 6852 [0,1,0,0,0,1|2,0,0]=4 101 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)Br 10653 [0,1,0,0,0,1|2,0,0]=4 102 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)F 5565 [0,1,0,0,0,1|2,0,0]=4 103 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)N 10388 [0,1,0,0,0,1|2,0,0]=4 104 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)Cl 6223 [0,1,0,0,0,1|2,0,0]=4 105 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)F 10520 [0,1,0,0,0,1|2,0,0]=4 106 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)N 8422 [0,1,0,0,0,1|2,0,0]=4 107 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)O 9542 [0,1,0,0,0,1|2,0,0]=4 108 B11R1.21 C1=CC(=C(C=C1C(=O)O)I)Cl 10576 [0,1,0,0,0,1|2,0,0]=4 109 B11R1.21 C1=CC(=C(C=C1C(=O)O)N)Cl 8056 [0,1,0,0,0,1|2,0,0]=4 110 B11R1.21 C1=CC(=C(C=C1C(=O)O)N)F 8984 [0,1,0,0,0,1|2,0,0]=4 111 B11R1.21 C1=CC(=C(C=C1C(=O)O)N)O 10466 [0,1,0,0,0,1|2,0,0]=4 112 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)O 8891 [0,1,0,0,0,1|2,0,0]=4 113 B11R1.21 CC1=C(C=C(C=C1)C(=O)C)F 8214 [0,1,0,0,0,1|2,0,0]=4 114 B11R1.21 CC1=C(C=C(C=C1)C(=O)Cl)F 5569 [0,1,0,0,0,1|2,0,0]=4 115 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)C 10163 [0,1,0,0,0,1|2,0,0]=4 116 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)F 8586 [0,1,0,0,0,1|2,0,0]=4 117 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)Cl 6856 [0,1,0,0,0,1|1,0,0]=3 118 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)F 5127 [0,1,0,0,0,1|1,0,0]=3 119 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)F 8978 [0,1,0,0,0,1|1,0,0]=3 120 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)I 6495 [0,1,0,0,0,1|1,0,0]=3 121 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Br 6529 [0,1,0,0,0,1|2,0,0]=4 122 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl 10036 [0,1,0,0,0,1|2,0,0]=4 123 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)I 8691 [0,1,0,0,0,1|2,0,0]=4 124 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)N 5197 [0,1,0,0,0,1|2,0,0]=4 125 B11R1.22 COC(=O)C1=CC=C(C=C1)N 6641 [0,1,0,0,0,1|2,0,0]=4 126 B11R1.22 COC(=O)C1=CN=C(C=C1)N 5257 [0,1,0,0,0,1|2,0,0]=4 127 B11R1.22 COC(=O)C1=CN=C(C=C1)N 9348 [0,1,0,0,0,1|2,0,0]=4 128 B11R1.166 C1=C(C(=CN=C1Cl)C(=O)O)Cl 8416 [0,1,0,0,0,1|2,0,0]=4 129 B11R1.166 C1=C(C(=NC=C1Br)C(=O)O)Cl 9803 [0,1,0,0,0,1|2,0,0]=4 130 B11R1.166 C1=C(C(=O)NC(=O)N1)C(=O)O 8630 [0,1,0,0,0,1|2,0,0]=4 131 B11R1.166 C1=C(C=NC(=C1Cl)C(=O)O)Cl 8448 [0,1,0,0,0,1|2,0,0]=4 132 B11R1.166 C1=CC(=C(C=C1Br)Br)C(=O)O 9828 [0,1,0,0,0,1|2,0,0]=4 133 B11R1.166 C1=CC(=C(C=C1Br)Cl)C(=O)O 5684 [0,1,0,0,0,1|2,0,0]=4 134 B11R1.166 C1=CC(=C(C=C1Br)F)C(=O)O 9928 [0,1,0,0,0,1|2,0,0]=4 135 B11R1.166 C1=CC(=C(C=C1Cl)Cl)C(=O)O 6787 [0,1,0,0,0,1|2,0,0]=4 136 B11R1.166 C1=CC(=C(C=C1Cl)F)C(=O)O 6191 [0,1,0,0,0,1|2,0,0]=4 137 B11R1.166 C1=CC(=C(C=C1Cl)I)C(=O)O 5553 [0,1,0,0,0,1|2,0,0]=4 138 B11R1.166 C1=CC(=C(C=C1Cl)O)C(=O)O 5117 [0,1,0,0,0,1|2,0,0]=4 139 B11R1.166 C1=CC(=C(C=C1F)Br)C(=O)O 6240 [0,1,0,0,0,1|2,0,0]=4 140 B11R1.166 C1=CC(=C(C=C1F)Br)C(=O)O 9681 [0,1,0,0,0,1|2,0,0]=4 141 B11R1.166 C1=CC(=C(C=C1F)Cl)C(=O)O 5349 [0,1,0,0,0,1|2,0,0]=4 142 B11R1.166 C1=CC(=C(C=C1F)N)C(=O)O 10307 [0,1,0,0,0,1|2,0,0]=4 143 B11R1.166 C1=CC(=C(C=C1N)O)C(=O)O 6786 [0,1,0,0,0,1|2,0,0]=4 144 B11R1.166 C1=CC(=C(C=C1O)Cl)C(=O)O 8738 [0,1,0,0,0,1|2,0,0]=4 145 B11R1.166 C1=CC(=C(C=C1O)F)C(=O)O 5209 [0,1,0,0,0,1|2,0,0]=4 146 B11R1.166 C1=CC(=NC(=C1C(=O)O)Cl)Cl 5307 [0,1,0,0,0,1|2,0,0]=4 147 B11R1.166 CC1=C(C=CC(=C1)Br)C(=O)O 10616 [0,1,0,0,0,1|2,0,0]=4 148 B11R1.166 CC1=C(C=CC(=C1)Cl)C(=O)O 5555 [0,1,0,0,0,1|2,0,0]=4 149 B11R1.166 CC1=C(C=CC(=C1)O)C(=O)O 9034 [0,1,0,0,0,1|2,0,0]=4 150 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O 6607 [0,1,0,0,0,1|1,0,0]=3 151 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O 6608 [0,1,0,0,0,1|1,0,0]=3 152 B11R1.166 CC1=CC(=CN=C1C(=O)O)Br 8694 [0,1,0,0,0,1|2,0,0]=4 153 B11R1.166 CC1=CC(=O)C(=CN1)C(=O)O 5043 [0,1,0,0,0,1|1,0,0]=3 154 B11R1.23 COC(=O)C1=CC(=CC=C1)Cl 8550 [0,1,0,0,0,1|2,0,0]=4 155 B11R1.23 COC(=O)C1=CC(=CC=C1)I 9834 [0,1,0,0,0,1|2,0,0]=4 156 B11R1.23 COC(=O)C1=CC(=CC=C1)O 10660 [0,1,0,0,0,1|2,0,0]=4 157 B11R1.23 COC(=O)C1=CC(=CN=C1)Br 5020 [0,1,0,0,0,1|2,0,0]=4 158 B11R1.23 COC(=O)C1=NC=CC(=C1)Br 9818 [0,1,0,0,0,1|2,0,0]=4 159 B11R1.23 COC(=O)C1=NC=CC(=C1)Cl 9624 [0,1,0,0,0,1|2,0,0]=4 160 B11R1.74 C1=C(C=C(C=C1Br)Br)C(=O)O 8107 [0,1,0,0,0,1|2,0,0]=4 161 B11R1.74 C1=C(C=C(C=C1Cl)Cl)C(=O)O 5395 [0,1,0,0,0,1|2,0,0]=4 162 B11R1.74 C1=C(C=C(C=C1F)Br)C(=O)O 5109 [0,1,0,0,0,1|2,0,0]=4 163 B11R1.74 C1=C(C=C(C=C1F)Cl)C(=O)O 10049 [0,1,0,0,0,1|2,0,0]=4 164 B11R1.74 C1=C(C=C(N=C1Cl)Cl)C(=O)O 6506 [0,1,0,0,0,1|2,0,0]=4 165 B11R1.74 C1=C(C=C(NC1=O)O)C(=O)O 6716 [0,1,0,0,0,1|2,0,0]=4 166 B11R1.74 CC1=CC(=CC(=C1)C(=O)O)C 6658 [0,1,0,0,0,1|1,0,0]=3 167 B11R1.74 CC1=CC(=CC(=C1)C(=O)O)F 10642 [0,1,0,0,0,1|1,0,0]=3 168 B11R1.74 CC1=NC(=CC(=C1)C(=O)O)Cl 6505 [0,1,0,0,0,1|1,0,0]=3 169 B11R1.74 Cc1cc(cc(c1)F)C(=O)Cl F4210 [0,1,0,0,0,1|2,0,0]=4 170 B11R1.74 Cc1cc(cc(c1)F)C(=O)N F0059 [0,1,0,0,0,1|2,0,0]=4 171 B11R1.74 c1c(nc(nc1Cl)Cl)C(=O)O D2449 [0,1,0,0,0,1|2,0,0]=4 172 B11R1.159 C1=CC(=C(C(=C1)Br)Cl)C(=O)O 8609 [0,1,0,0,0,1|2,0,0]=4 173 B11R1.159 C1=CC(=C(C(=C1)Br)F)C(=O)O 6242 [0,1,0,0,0,1|2,0,0]=4 174 B11R1.159 C1=CC(=C(C(=C1)Cl)Cl)C(=O)O 8360 [0,1,0,0,0,1|2,0,0]=4 175 B11R1.159 C1=CC(=C(C(=C1)Cl)F)C(=O)O 8329 [0,1,0,0,0,1|2,0,0]=4 176 B11R1.159 C1=CC(=C(C(=C1)F)Cl)C(=O)O 5124 [0,1,0,0,0,1|2,0,0]=4 177 B11R1.159 C1=CC(=C(C(=C1)F)N)C(=O)O 10136 [0,1,0,0,0,1|2,0,0]=4 178 B11R1.159 C1=CC(=C(C(=C1)N)N)C(=O)O 10409 [0,1,0,0,0,1|2,0,0]=4 179 B11R1.159 C1=CN=C(C(=C1C(=O)O)F)Cl 6481 [0,1,0,0,0,1|2,0,0]=4 180 B11R1.159 CC1=C(C=CC=C1Br)C(=O)O 8705 [0,1,0,0,0,1|2,0,0]=4 181 B11R1.159 CC1=C(C=CC=C1Cl)C(=O)O 5119 [0,1,0,0,0,1|2,0,0]=4 182 B11R1.159 CC1=C(C=CC=C1O)C(=O)O 10009 [0,1,0,0,0,1|2,0,0]=4 183 B11R1.159 CC1=CC=CC(=C1Br)C(=O)O 5552 [0,1,0,0,0,1|1,0,0]=3 184 B11R1.159 CC1=CC=CC(=C1Cl)C(=O)O 9214 [0,1,0,0,0,1|1,0,0]=3 185 B11R1.159 CC1=CC=CC(=C1I)C(=O)O 6863 [0,1,0,0,0,1|1,0,0]=3 186 B11R1.159 CC1=CC=CC(=C1N)C(=O)O 6598 [0,1,0,0,0,1|1,0,0]=3 187 B11R1.167 C1=C(C(=NC=C1F)Cl)C(=O)O 9339 [0,1,0,0,0,1|2,0,0]=4 188 B11R1.167 C1=C(C(=NN=C1Cl)Cl)C(=O)O 10074 [0,1,0,0,0,1|2,0,0]=4 189 B11R1.167 C1=C(C(=O)NC=C1Br)C(=O)O 8259 [0,1,0,0,0,1|2,0,0]=4 190 B11R1.167 C1=CC(=C(C=C1Br)C(=O)O)Cl 5334 [0,1,0,0,0,1|2,0,0]=4 191 B11R1.167 C1=CC(=C(C=C1Br)C(=O)O)I 8491 [0,1,0,0,0,1|2,0,0]=4 192 B11R1.167 C1=CC(=C(C=C1Br)C(=O)O)N 5476 [0,1,0,0,0,1|2,0,0]=4 193 B11R1.167 C1=CC(=C(C=C1Br)C(=O)O)N 6519 [0,1,0,0,0,1|2,0,0]=4 194 B11R1.167 C1=CC(=C(C=C1Br)C(=O)O)O 8508 [0,1,0,0,0,1|2,0,0]=4 195 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)Br 10376 [0,1,0,0,0,1|2,0,0]=4 196 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)Br 5046 [0,1,0,0,0,1|2,0,0]=4 197 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)F 5072 [0,1,0,0,0,1|2,0,0]=4 198 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)F 5344 [0,1,0,0,0,1|2,0,0]=4 199 B11R1.167 C1=CC(=C(C=C1F)C(=O)O)Br 8351 [0,1,0,0,0,1|2,0,0]=4 200 B11R1.167 C1=CC(=C(C=C1F)C(=O)O)F 6069 [0,1,0,0,0,1|2,0,0]=4 201 B11R1.167 C1=CC(=C(C=C1F)C(=O)O)N 6138 [0,1,0,0,0,1|2,0,0]=4 202 B11R1.167 C1=CC(=C(C=C1I)C(=O)O)Br 5274 [0,1,0,0,0,1|2,0,0]=4 203 B11R1.167 C1=CC(=C(C=C1I)C(=O)O)I 9722 [0,1,0,0,0,1|2,0,0]=4 204 B11R1.167 C1=CC(=C(C=C1N)C(=O)O)F 9459 [0,1,0,0,0,1|2,0,0]=4 205 B11R1.167 C1=CC(=C(C=C1O)C(=O)O)N 8634 [0,1,0,0,0,1|2,0,0]=4 206 B11R1.167 CC1=C(C=C(C=C1)Br)C(=O)O 9714 [0,1,0,0,0,1|2,0,0]=4 207 B11R1.167 CC1=C(C=C(C=C1)Cl)C(=O)O 9462 [0,1,0,0,0,1|2,0,0]=4 208 B11R1.167 CC1=C(C=C(C=C1)F)C(=O)O 6092 [0,1,0,0,0,1|2,0,0]=4 209 B11R1.167 CC1=C(C=C(C=C1)F)C(=O)O 6093 [0,1,0,0,0,1|2,0,0]=4 210 B11R1.167 CC1=C(C=C(C=C1)O)C(=O)O 9407 [0,1,0,0,0,1|2,0,0]=4 211 B11R1.167 CC1=CC(=C(C=C1)Cl)C(=O)O 8528 [0,1,0,0,0,1|1,0,0]=3 212 B11R1.167 CC1=CC(=C(C=C1)F)C(=O)O 5026 [0,1,0,0,0,1|1,0,0]=3 213 B11R1.167 CC1=CC(=C(C=C1)I)C(=O)O 5607 [0,1,0,0,0,1|1,0,0]=3 214 B11R1.167 CC1=CC(=C(C=C1)I)C(=O)O 6864 [0,1,0,0,0,1|1,0,0]=3 215 B11R1.167 CC1=CC(=C(C=C1)N)C(=O)O 5694 [0,1,0,0,0,1|1,0,0]=3 216 B11R1.266 C1=CC(=CC(=C1)CCl)C(=O)O 8272 [0,1,0,0,0,1|1,0,0]=3 217 B11R1.15 CCOC(=O)C1=CSC(=N1)Br 8128 [0,2,0,0,0,0|2,0,0]=4 218 B11R1.15 CCOC(=O)C1=CSC(=N1)N 5483 [0,2,0,0,0,0|2,0,0]=4 219 B11R1.15 CCOC(=O)C1=NOC(=C1)C 10563 [0,2,0,0,0,0|1,1,0]=4 220 B9R1.6 C1=CC=C(C=C1)C(=O)O 9205 [0,0,1,1,0,0|1,0,1]=4 221 B9R1.2 C1=C(C=NC=C1Br)C=O 6653 [1,0,0,0,0,1|2,0,0]=4 222 B9R1.2 C1=CC(=CC(=C1)Br)C=O 8210 [1,0,0,0,0,1|2,0,0]=4 223 B9R1.2 C1=CC(=CC(=C1)F)C=O 9272 [1,0,0,0,0,1|2,0,0]=4 224 B9R1.2 C1=CC(=CC(=C1)I)C=O 9442 [1,0,0,0,0,1|2,0,0]=4 225 B9R1.2 CC1=CC=CC(=C1)C=O 8187 [1,0,0,0,0,1|1,0,0]=3 226 B9R1.2 CC1=CC=CC(=N1)C=O 10415 [1,0,0,0,0,1|2,0,0]=4 227 B9R1.13 C1=CN(C=N1)CC(=O)O 9954 [1,0,0,0,0,1|2,0,0]=4 228 B9R1.13 C1=CSC=C1CC(=O)O 6801 [1,0,0,0,0,1|0,0,0]=2 229 B11R1.20 C1=CC(=CC=C1CC(=O)O)Br 5312 [0,0,0,0,0,2|2,0,0]=4 230 B11R1.20 C1=CC(=CC=C1CC(=O)O)F 9282 [0,0,0,0,0,2|2,0,0]=4 231 B11R1.20 C1=CC(=CC=C1CC(=O)O)I 6666 [0,0,0,0,0,2|2,0,0]=4 232 B11R1.20 C1=CC(=CC=C1CC(=O)O)N 6676 [0,0,0,0,0,2|2,0,0]=4 233 B11R1.157 C1=CC(=CC(=C1)Br)CC(=O)O 6004 [0,0,0,0,0,2|2,0,0]=4 234 B11R1.157 C1=CC(=CC(=C1)Cl)CC(=O)O 10404 [0,0,0,0,0,2|2,0,0]=4 235 B11R1.157 C1=CC(=CC(=C1)N)CC(=O)O 8680 [0,0,0,0,0,2|2,0,0]=4 236 B11R1.157 C1=CC(=CC(=C1)O)CC(=O)O 10176 [0,0,0,0,0,2|2,0,0]=4