0 B9R1.35 CC(=O)C1=CC=C(C)S1 HY-W002097 [0,0,0,0,0,0|0,0,0]=0 1 B9R1.35 CN1C=CC(C(=O)O)=N1 HY-34603 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.35 O=C(O)C1=CC=C(Br)S1 HY-30133 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.35 O=C(O)C1=CC=C(Cl)S1 HY-76835 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.35 O=C(O)C1=CN=C(Br)S1 HY-33287 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.1 CC1=CC=C(C=O)O1 HY-Y0543 [1,0,0,0,0,0|0,1,0]=2 6 B8R1.1 CC1=CC=C(C=O)S1 HY-34465 [1,0,0,0,0,0|0,0,0]=1 7 B8R1.1 CC1=CC=C(CO)O1 HY-W087919 [1,0,0,0,0,0|0,1,2]=4 8 B8R1.1 CN1C=C(C=O)C=N1 HY-69052 [1,0,0,0,0,0|3,0,0]=4 9 B8R1.1 O=CC1=CC=C(Br)S1 HY-59174 [1,0,0,0,0,0|1,0,0]=2 10 B8R1.1 O=CC1=CC=C(Cl)S1 HY-W002227 [1,0,0,0,0,0|1,0,0]=2 11 B8R1.7 CC(=O)C1=CC=CO1 HY-W015912 [1,0,0,0,0,0|0,1,0]=2 12 B8R1.7 CC(=O)C1=CC=CS1 HY-20585 [1,0,0,0,0,0|0,0,0]=1 13 B8R1.7 CC(=O)C1=CSC=C1 HY-W007361 [1,0,0,0,0,0|2,0,0]=3 14 B8R1.7 CC(=O)C1=NC=CS1 HY-Y0045 [1,0,0,0,0,0|1,0,0]=2 15 B8R1.7 O=C(O)C1=CC=CO1 HY-W012946 [1,0,0,0,0,0|1,1,0]=3 16 B8R1.7 O=C(O)C1=CC=NS1 HY-W042027 [1,0,0,0,0,0|2,0,0]=3 17 B8R1.7 O=C(O)C1=CN=CN1 HY-W007695 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.7 O=C(O)C1=COC=C1 HY-21075 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.7 O=C(O)C1=CSC=C1 HY-W004615 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.7 O=C(O)C1=CSC=N1 HY-59320 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.7 O=C(O)C1=NNC=C1 HY-W002328 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.31 O=C(O)C1=CC=C(CO)O1 HY-W005241 [0,1,0,0,0,0|1,1,0]=3 23 B10R1.58 CC1=CC(C(=O)O)=NN1C HY-W004978 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.59 CC(=O)C1=C(C)OC(C)=C1 HY-114517 [0,1,0,0,0,0|2,0,0]=3 25 B10R1.59 CC1=NC(C)=C(C(=O)O)S1 HY-W002255 [0,1,0,0,0,0|2,0,0]=3 26 B8R0.28 CC(=O)CCC=C(C)C HY-W010435 [0,0,1,0,0,0|1,0,2]=4 27 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 HY-20436 [0,0,0,0,0,1|2,0,0]=3 28 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 HY-60206 [0,0,0,0,0,1|2,0,0]=3 29 B10R1.13 CC(=O)C1=CC=C(C)C=C1 HY-W012653 [0,0,0,0,0,1|1,0,0]=2 30 B10R1.13 CC(=O)C1=CC=C(F)C=C1 HY-Y0779 [0,0,0,0,0,1|2,0,0]=3 31 B10R1.13 CC(=O)C1=CC=C(N)C=C1 HY-W008818 [0,0,0,0,0,1|2,0,0]=3 32 B10R1.13 CC(=O)C1=CC=C(O)C=C1 HY-Y0073 [0,0,0,0,0,1|2,0,0]=3 33 B10R1.13 CC(=O)C1=CC=C(O)C=C1 HY-Y0073R [0,0,0,0,0,1|2,0,0]=3 34 B10R1.13 CC1=CC=C(C(=O)O)C=C1 HY-76547 [0,0,0,0,0,1|2,0,0]=3 35 B10R1.13 CC1=CC=C(C(C)C)CC1 HY-W020182 [0,0,0,0,0,1|2,0,1]=4 36 B10R1.13 CC1=CC=C(C(N)=S)C=C1 HY-W017393 [0,0,0,0,0,1|2,1,0]=4 37 B10R1.13 CC1=CN=C(C(=O)O)C=N1 HY-32739 [0,0,0,0,0,1|3,0,0]=4 38 B10R1.13 CC1=NC=C(C(=O)O)C=C1 HY-W008333 [0,0,0,0,0,1|2,0,0]=3 39 B10R1.13 CC1=NC=C(C(N)=O)C=C1 HY-W015815 [0,0,0,0,0,1|2,0,0]=3 40 B10R1.13 Cc1ccc(C(C)C)cc1 HY-79986 [0,0,0,0,0,1|2,0,1]=4 41 B10R1.13 NC(=O)C1=CC=C(N)C=C1 HY-W017041 [0,0,0,0,0,1|3,0,0]=4 42 B10R1.13 NC(=O)C1=CC=C(N)N=C1 HY-W010342 [0,0,0,0,0,1|3,0,0]=4 43 B10R1.13 NC(=O)C1=CC=C(O)C=C1 HY-W088191 [0,0,0,0,0,1|3,0,0]=4 44 B10R1.13 NC1=CC=C(C(=O)O)C=C1 HY-B1008 [0,0,0,0,0,1|3,0,0]=4 45 B10R1.13 NC1=CC=C(C(=O)O)C=C1 HY-B1008R [0,0,0,0,0,1|3,0,0]=4 46 B10R1.13 NC1=NC=C(C(=O)O)C=C1 HY-W015793 [0,0,0,0,0,1|3,0,0]=4 47 B10R1.13 O=C(O)C1=CC=C(Br)N=C1 HY-W002864 [0,0,0,0,0,1|3,0,0]=4 48 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 HY-41465 [0,0,0,0,0,1|3,0,0]=4 49 B10R1.13 O=C(O)C1=CC=C(F)C=C1 HY-W013677 [0,0,0,0,0,1|3,0,0]=4 50 B10R1.13 O=C(O)C1=CC=C(I)C=C1 HY-W013396 [0,0,0,0,0,1|3,0,0]=4 51 B10R1.13 O=C(O)C1=CC=C(O)C=C1 HY-Y0264 [0,0,0,0,0,1|3,0,0]=4 52 B10R1.13 O=C(O)C1=CC=C(O)C=C1 HY-Y0264R [0,0,0,0,0,1|3,0,0]=4 53 B10R1.13 O=C(O)C1=CC=C(O)N=C1 HY-W001996 [0,0,0,0,0,1|3,0,0]=4 54 B10R1.13 O=C(O)C1=NC=C(I)C=C1 HY-W041657 [0,0,0,0,0,1|3,0,0]=4 55 B10R1.13 O=C1C=CC(C(=O)O)=CO1 HY-32004 [0,0,0,0,0,1|2,1,0]=4 56 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 HY-W014915 [0,0,0,0,0,1|2,0,0]=3 57 B10R1.113 CC(=O)C1=CC(N)=CC=C1 HY-W012637 [0,0,0,0,0,1|2,0,0]=3 58 B10R1.113 CC(=O)C1=CC=CC(O)=C1 HY-Y0603 [0,0,0,0,0,1|2,0,0]=3 59 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 HY-W002593 [0,0,0,0,0,1|2,0,0]=3 60 B10R1.113 CC1=CC(C(=O)O)=CC=C1 HY-78571 [0,0,0,0,0,1|2,0,0]=3 61 B10R1.113 CC1=CC=CC(C(=O)O)=N1 HY-W002139 [0,0,0,0,0,1|2,0,0]=3 62 B10R1.113 C[N+]1=CC(C(=O)O)=CC=C1 HY-N0415 [0,0,0,0,0,1|3,0,0]=4 63 B10R1.113 C[N+]1=CC=CC(C(N)=O)=C1 HY-113527 [0,0,0,0,0,1|3,0,0]=4 64 B10R1.113 C[N+]1=CC=CC(C(N)=O)=C1 HY-113527R [0,0,0,0,0,1|3,0,0]=4 65 B10R1.113 C[N+]1=CC=CC(C(N)=O)=C1 HY-W009418 [0,0,0,0,0,1|3,0,0]=4 66 B10R1.113 NC(=O)C1=CC=CC(N)=C1 HY-12022 [0,0,0,0,0,1|3,0,0]=4 67 B10R1.113 NC1=CC(C(=O)O)=CC=C1 HY-I0746 [0,0,0,0,0,1|3,0,0]=4 68 B10R1.113 NC1=CC=CC(C(=O)O)=N1 HY-W002540 [0,0,0,0,0,1|3,0,0]=4 69 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 HY-Y1013 [0,0,0,0,0,1|3,0,0]=4 70 B10R1.113 O=C(O)C1=CC(F)=CC=C1 HY-W015753 [0,0,0,0,0,1|3,0,0]=4 71 B10R1.113 O=C(O)C1=CC(O)=CC=C1 HY-W004049 [0,0,0,0,0,1|3,0,0]=4 72 B10R1.113 O=C(O)C1=CC=CC(Cl)=C1 HY-Y0403 [0,0,0,0,0,1|3,0,0]=4 73 B10R1.113 O=C(O)C1=CC=CC(I)=C1 HY-Y0931 [0,0,0,0,0,1|3,0,0]=4 74 B10R1.113 O=C(O)C1=CC=NC(Br)=C1 HY-W002805 [0,0,0,0,0,1|3,0,0]=4 75 B10R1.113 O=C(O)C1=CC=NC(Cl)=C1 HY-65003 [0,0,0,0,0,1|3,0,0]=4 76 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 HY-W004860 [0,0,0,0,0,1|3,0,0]=4 77 B10R1.113 O=C1C=C(C(=O)O)C=CN1 HY-W002765 [0,0,0,0,0,1|3,0,0]=4 78 B7R0.4 C\C=C\C=C\C(=O)O HY-N0626 [1,0,1,0,0,0|1,0,0]=3 79 B7R0.4 C\C=C\C=C\C(=O)O HY-N0626R [1,0,1,0,0,0|1,0,0]=3 80 B7R0.4 C\C=C\C=C\C(=O)[O-] HY-N0626A [1,0,1,0,0,0|1,0,0]=3 81 B7R0.4 C\C=C\C=C\C(=O)[O-] HY-N0626AR [1,0,1,0,0,0|1,0,0]=3 82 B7R1.1 O=CC1=CC=CS1 HY-W012941 [2,0,0,0,0,0|0,0,0]=2 83 B7R1.1 O=CC1=CN=CS1 HY-69015 [2,0,0,0,0,0|1,0,0]=3 84 B7R1.1 O=CC1=CNC=C1 HY-59307 [2,0,0,0,0,0|2,0,0]=4 85 B7R1.1 O=CC1=CNC=N1 HY-59303 [2,0,0,0,0,0|2,0,0]=4 86 B7R1.1 O=CC1=NC=CN1 HY-W007321 [2,0,0,0,0,0|2,0,0]=4 87 B7R1.1 OCC1=CC=CS1 HY-34751 [2,0,0,0,0,0|0,0,2]=4 88 B7R1.2 CC1=CCC(=O)O1 HY-N0548 [2,0,0,0,0,0|0,1,1]=4 89 B7R1.2 CC1=CN=C(N)S1 HY-WAA0093 [2,0,0,0,0,0|2,0,0]=4 90 B7R1.2 CC1=NN(C)C=C1 HY-W002168 [2,0,0,0,0,0|2,0,0]=4 91 B7R1.2 O=C1C=CC(=O)N1 HY-W007324 [2,0,0,0,0,0|2,0,0]=4 92 B9R1.21 O=CC1=CC=C(CO)O1 HY-Y0051 [1,1,0,0,0,0|0,1,0]=3 93 B9R1.11 COC(=O)C1=CC=CN1 HY-W012802 [1,1,0,0,0,0|1,0,0]=3 94 B9R1.11 COC(=O)C1=CC=CO1 HY-Y0949 [1,1,0,0,0,0|0,1,0]=3 95 B9R1.11 N\C(=N/O)C1=CC=CS1 HY-117052 [1,1,0,0,0,0|1,0,1]=4 96 B11R1.3 COC1=CC=C(C(=O)O)C=C1 HY-N1394 [0,1,0,0,0,1|2,0,0]=4 97 B11R1.3 COC1=CC=C(C(=O)O)C=C1 HY-N1394R [0,1,0,0,0,1|2,0,0]=4 98 B11R1.3 COC1=CC=C(C(C)=O)C=C1 HY-Y0024 [0,1,0,0,0,1|1,0,0]=3 99 B11R1.3 COC1=CC=C(C(N)=O)C=N1 HY-112584 [0,1,0,0,0,1|2,0,0]=4 100 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 HY-B1258 [0,1,0,0,0,1|2,0,0]=4 101 B11R1.3 O=C(O)C1=CC=C(CBr)C=C1 HY-21496 [0,1,0,0,0,1|2,0,0]=4 102 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 HY-W017384 [0,1,0,0,0,1|2,0,0]=4 103 B11R1.21 CC(=O)C1=CC=C(O)C(C)=C1 HY-W001663 [0,1,0,0,0,1|2,0,0]=4 104 B11R1.21 CC(=O)C1=CC=C(O)C(O)=C1 HY-N1775 [0,1,0,0,0,1|2,0,0]=4 105 B11R1.21 CC1=CC=C(C(=O)O)C=C1C HY-W017434 [0,1,0,0,0,1|2,0,0]=4 106 B11R1.21 CC1=CC=C(C(=O)O)C=C1O HY-Y0026 [0,1,0,0,0,1|2,0,0]=4 107 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 HY-B1353 [0,1,0,0,0,1|2,0,0]=4 108 B11R1.22 COC(=O)C1=CC=C(O)C=C1 HY-N0349 [0,1,0,0,0,1|2,0,0]=4 109 B11R1.22 COC(=O)C1=CC=C(O)C=C1 HY-N0349R [0,1,0,0,0,1|2,0,0]=4 110 B11R1.22 COC(=O)C1=CN=C(C)C=C1 HY-76047 [0,1,0,0,0,1|1,0,0]=3 111 B11R1.22 COC(=O)C1=NC=C(Br)C=C1 HY-32778 [0,1,0,0,0,1|2,0,0]=4 112 B11R1.22 COC(=O)C1=NC=C(O)C=C1 HY-W005963 [0,1,0,0,0,1|2,0,0]=4 113 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 HY-W008598 [0,1,0,0,0,1|2,0,0]=4 114 B11R1.22 O=C(CBr)C1=CC=C(O)C=C1 HY-W002314 [0,1,0,0,0,1|2,0,0]=4 115 B11R1.166 CC(=O)C1=CC=C(C)C=C1C HY-W015618 [0,1,0,0,0,1|1,0,0]=3 116 B11R1.166 CC(=O)C1=CC=C(C)C=C1O HY-34204 [0,1,0,0,0,1|1,0,0]=3 117 B11R1.166 CC(=O)C1=CC=C(Cl)C=C1O HY-22225 [0,1,0,0,0,1|2,0,0]=4 118 B11R1.166 CC(=O)C1=CC=C(O)C=C1C HY-W010254 [0,1,0,0,0,1|2,0,0]=4 119 B11R1.166 CC(=O)C1=CC=C(O)C=C1O HY-Y0694 [0,1,0,0,0,1|2,0,0]=4 120 B11R1.166 CC1=CC=C(C(=O)O)C(O)=C1 HY-78144 [0,1,0,0,0,1|2,0,0]=4 121 B11R1.23 CCC(=O)C1=CC(Cl)=CC=C1 HY-W015318 [0,1,0,0,0,1|2,0,0]=4 122 B11R1.23 COC(=O)C1=CC(N)=NC=C1 HY-W003145 [0,1,0,0,0,1|2,0,0]=4 123 B11R1.23 COC(=O)C1=CC=CC(Cl)=C1 HY-Z0690 [0,1,0,0,0,1|2,0,0]=4 124 B11R1.23 COC(=O)C1=CC=CC(O)=C1 HY-90004 [0,1,0,0,0,1|2,0,0]=4 125 B11R1.23 COC(=O)C1=NC(Br)=CC=C1 HY-76562 [0,1,0,0,0,1|2,0,0]=4 126 B11R1.74 CC(=O)C1=CC(O)=CC(O)=C1 HY-W034065 [0,1,0,0,0,1|2,0,0]=4 127 B11R1.159 CC1=C(N)C(C(=O)O)=CC=C1 HY-W012581 [0,1,0,0,0,1|2,0,0]=4 128 B11R1.159 CC1=C(O)C(C(=O)O)=CC=C1 HY-B1399 [0,1,0,0,0,1|2,0,0]=4 129 B11R1.167 CC(=O)C1=C(F)C=CC(Br)=C1 HY-69249 [0,1,0,0,0,1|2,0,0]=4 130 B11R1.167 CC(=O)C1=C(O)C=CC(C)=C1 HY-W100681 [0,1,0,0,0,1|1,0,0]=3 131 B11R1.167 CC(=O)C1=CC(Cl)=CC=C1O HY-W004713 [0,1,0,0,0,1|2,0,0]=4 132 B11R1.167 CC(=O)C1=CC(O)=CC=C1O HY-W001174 [0,1,0,0,0,1|2,0,0]=4 133 B11R1.167 CC1=CC(C(=O)O)=C(Cl)C=C1 HY-W008213 [0,1,0,0,0,1|2,0,0]=4 134 B11R1.167 CC1=CC(C(=O)O)=C(N)C=C1 HY-W002036 [0,1,0,0,0,1|2,0,0]=4 135 B11R1.167 CC1=CC(C(=O)O)=C(O)C=C1 HY-78573 [0,1,0,0,0,1|2,0,0]=4 136 B11R1.266 COC1=CC(C(=O)O)=CC=C1 HY-Y0760 [0,1,0,0,0,1|2,0,0]=4 137 B11R1.266 COC1=CC(C(N)=O)=CC=C1 HY-121497 [0,1,0,0,0,1|2,0,0]=4 138 B11R1.15 CCOC(=O)C1=CN=C(Br)S1 HY-W002625 [0,2,0,0,0,0|2,0,0]=4 139 B11R1.15 CCOC(=O)C1=CN=C(N)S1 HY-50301 [0,2,0,0,0,0|2,0,0]=4 140 B11R1.175 CC(=O)C1=CC=C(C(N)=O)S1 HY-Z4461 [0,2,0,0,0,0|0,0,1]=3 141 B9R1.6 CC(=O)C1=CC=CC=C1 HY-Y0989 [0,0,1,1,0,0|1,0,1]=4 142 B9R1.2 CC1=CC(C=O)=CC=C1 HY-78086 [1,0,0,0,0,1|1,0,0]=3 143 B9R1.2 COC1=CC=CC(C)=C1 HY-115127 [1,0,0,0,0,1|2,0,0]=4 144 B9R1.2 O=CC1=CC(Br)=CN=C1 HY-W003037 [1,0,0,0,0,1|2,0,0]=4 145 B9R1.2 O=CC1=CC(Cl)=CC=C1 HY-Y1863 [1,0,0,0,0,1|2,0,0]=4 146 B9R1.2 O=CC1=CC(Cl)=NC=C1 HY-W010309 [1,0,0,0,0,1|2,0,0]=4 147 B9R1.2 O=CC1=CC=CC(O)=C1 HY-76006 [1,0,0,0,0,1|2,0,0]=4 148 B9R1.2 O=CC1=NC(Br)=CC=C1 HY-60194 [1,0,0,0,0,1|2,0,0]=4 149 B9R1.13 O=C(O)CC1=CC=CS1 HY-W001142 [1,0,0,0,0,1|1,0,0]=3 150 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 HY-66005 [0,0,0,0,0,2|2,0,0]=4 151 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 HY-66005R [0,0,0,0,0,2|2,0,0]=4 152 B11R1.20 CC(=O)OC1=CC=C(O)C=C1 HY-30267 [0,0,0,0,0,2|2,0,0]=4 153 B11R1.157 CC(=O)NC1=CC=CC(O)=C1 HY-B1309 [0,0,0,0,0,2|2,0,0]=4 154 B11R1.157 CC(=O)NC1=CC=NC(=O)N1 HY-W010223 [0,0,0,0,0,2|2,0,0]=4 155 B11R1.157 CC(=O)OC1=CC=CC(O)=C1 HY-B0894 [0,0,0,0,0,2|2,0,0]=4 156 B11R1.157 CC1=CC(CC(=O)O)=CC=C1 HY-W053507 [0,0,0,0,0,2|2,0,0]=4