0 B11R1.91 C(=C/C1=CC=CC=C1)\B(O)O ACS019300 [0,0,0,0,0,0|1,0,1]=2 1 B11R1.91 C(C=CC1=CC=CC=C1)(=O)O ACS013027 [0,0,0,0,0,0|0,0,0]=0 2 B11R1.91 C1(=CC=CC=C1)C=CB(O)O ACS020908 [0,0,0,0,0,0|1,0,1]=2 3 B11R1.91 C1(=CC=CC=C1)NCC(=O)O ACS024393 [0,0,0,0,0,0|1,0,1]=2 4 B11R1.91 N1=CC(=CC=C1)\C=C\C(=O)O ACS011792 [0,0,0,0,0,0|1,0,0]=1 5 B11R1.91 N1=CC=C(C=C1)OCC(=O)O ACS020765 [0,0,0,0,0,0|2,0,1]=3 6 B11R1.91 [N+](=O)([O-])CCC1=CC=CC=C1 ACS012492 [0,0,0,0,0,0|1,0,3]=4 7 B11R1.91 c1cc(cnc1)\C=C\C(=O)O ACS010540 [0,0,0,0,0,0|1,0,0]=1 8 B10R1.17 C(C=CC1=CC=CC=C1)Cl ACS015577 [1,0,0,0,0,0|1,0,1]=3 9 B10R1.17 O(C1=CC=CC=C1)CCO ACS015601 [1,0,0,0,0,0|1,0,2]=4 10 B12R1.21 CC1=CC=C(C=CC(=O)O)C=C1 ACS013033 [0,1,0,0,0,0|0,0,0]=1 11 B12R1.21 ClC1=CC=C(C=C1)C=CC(C)=O ACS014642 [0,1,0,0,0,0|1,0,0]=2 12 B12R1.21 FC1=CC=C(C=C1)C=C[N+](=O)[O-] ACF015117 [0,1,0,0,0,0|1,0,1]=3 13 B12R1.21 FC1=CC=C(C=C1)SCC(=O)O ACF015588 [0,1,0,0,0,0|1,0,1]=3 14 B12R1.21 FC1=CC=C(\C=C\B(O)O)C=C1 ACF020879 [0,1,0,0,0,0|1,0,1]=3 15 B12R1.21 NC1=CC=C(C=CC(=O)O)C=C1 ACS013020 [0,1,0,0,0,0|0,0,0]=1 16 B12R1.21 OC1=CC=C(C=C1)CCC(C)=O ACS011998 [0,1,0,0,0,0|1,0,2]=4 17 B12R1.27 BrCC(=O)OCC1=CC=CC=C1 ACS011041 [0,1,0,0,0,0|2,0,1]=4 18 B12R1.27 C(C1=CC=CC=C1)NC(CCl)=O ACS014089 [0,1,0,0,0,0|2,0,1]=4 19 B12R1.43 C1(=CC=CC=C1)C=C(C)[N+](=O)[O-] ACS017192 [0,1,0,0,0,0|1,0,1]=3 20 B12R1.43 C1(=CC=CC=C1)NC(C(=O)O)C ACS011814 [0,1,0,0,0,0|1,0,1]=3 21 B12R1.43 c1cnccc1C[C@@H](C(=O)O)N ACS011731 [0,1,0,0,0,0|1,0,2]=4 22 B12R1.125 BrC1=C(C=CC=C1)CCC(=O)O ACS017007 [0,1,0,0,0,0|0,0,2]=3 23 B12R1.226 BrC=1C=C(C=CC(=O)O)C=CC1 ACS017119 [0,1,0,0,0,0|0,0,0]=1 24 B12R1.226 CC=1C=C(OCC(=O)O)C=CC1 ACS024417 [0,1,0,0,0,0|1,0,1]=3 25 B12R1.226 ClC1=CC(=CC=C1)C=C[N+](=O)[O-] ACS015116 [0,1,0,0,0,0|1,0,1]=3 26 B12R1.226 ClC=1C=C(C=CC(=O)O)C=CC1 ACS013023 [0,1,0,0,0,0|0,0,0]=1 27 B12R1.226 FC1=CC(=CC=C1)/C=C/[N+](=O)[O-] ACF020687 [0,1,0,0,0,0|1,0,1]=3 28 B12R1.226 FC=1C=C(C=CC(=O)O)C=CC1 ACF013032 [0,1,0,0,0,0|0,0,0]=1 29 B12R1.226 c1cc(cc(c1)Cl)CCC(=O)O ACS013010 [0,1,0,0,0,0|0,0,2]=3 30 B12R1.226 c1cc(cc(c1)F)CCC(=O)O ACF013015 [0,1,0,0,0,0|0,0,2]=3 31 B12R2.24 BrC1=CC=C2C=CC=NC2=C1 ACS011513 [0,0,0,1,0,0|3,0,0]=4 32 B12R2.24 BrC1=CC=C2C=CN=CC2=C1 ACS019275 [0,0,0,1,0,0|3,0,0]=4 33 B12R2.24 BrC=1C=C2C=CN=CC2=CC1 ACS011822 [0,0,0,1,0,0|3,0,0]=4 34 B12R2.24 C1=C(C=CC2=CC=CC=C12)O ACS015497 [0,0,0,1,0,0|1,0,0]=2 35 B12R2.24 C1=NC=CC2=CC(=CC=C12)N ACS020640 [0,0,0,1,0,0|3,0,0]=4 36 B12R2.24 C1=NC=CC2=CC(=CC=C12)O ACS019274 [0,0,0,1,0,0|2,0,0]=3 37 B12R2.24 C1=NC=CC2=CC=C(C=C12)N ACS018637 [0,0,0,1,0,0|3,0,0]=4 38 B12R2.24 C1=NC=CC2=CC=C(C=C12)O ACS017356 [0,0,0,1,0,0|2,0,0]=3 39 B12R2.24 CC1=CC=C2C=CC=NC2=C1 ACS010846 [0,0,0,1,0,0|3,0,0]=4 40 B12R2.24 CC1=NC2=NC=CC=C2C=C1 ACS011598 [0,0,0,1,0,0|3,0,0]=4 41 B12R2.24 Cc1ccc2ccccc2n1 ACS015496 [0,0,0,1,0,0|2,0,0]=3 42 B12R2.24 FC=1C=C2C=CN=CC2=CC1 ACF017349 [0,0,0,1,0,0|3,0,0]=4 43 B12R2.24 IC=1C=C2C=CC=NC2=CC1 ACS017174 [0,0,0,1,0,0|3,0,0]=4 44 B12R2.24 N1=C(C=CC2=NC=CC=C12)O ACS019147 [0,0,0,1,0,0|2,0,0]=3 45 B12R2.24 N1C(C=CC2=CN=CC=C12)=O ACS019125 [0,0,0,1,0,0|2,0,0]=3 46 B12R2.24 NC1=CC2=CC=CC=C2C=C1 ACS015421 [0,0,0,1,0,0|2,0,0]=3 47 B12R2.24 O1CC(NC2=C1C=CC=C2)=O ACS011909 [0,0,0,1,0,0|2,0,1]=4 48 B12R2.24 c1ccc2c(c1)CCC(=O)O2 ACS015483 [0,0,0,1,0,0|0,0,2]=3 49 B10R1.18 C1(=CC=CC=C1)CC(=O)O ACS012991 [0,0,0,0,1,0|0,0,1]=2 50 B10R1.18 ClC(=O)OC1=CC=CC=C1 ACS017180 [0,0,0,0,1,0|2,0,0]=3 51 B10R1.18 N1=C(C=CC=C1)CC(=O)O ACS015242 [0,0,0,0,1,0|1,0,1]=3 52 B10R1.18 N1=CC=C(C=C1)CC(=O)O ACS015243 [0,0,0,0,1,0|1,0,1]=3 53 B10R1.66 O1C(=CC=C1)C=CC(=O)O ACS015361 [0,0,0,0,1,0|1,0,0]=2 54 B10R1.66 O1C(=CC=C1)CCC(=O)O ACS015358 [0,0,0,0,1,0|1,0,2]=4 55 B12R1.252 C(C1=CC=CC=C1)OCC(=O)O ACS017159 [0,0,0,0,0,1|0,0,2]=3 56 B12R1.252 C(CC1=CC=CC=C1)OC(C)=O ACS012688 [0,0,0,0,0,1|1,0,2]=4 57 B12R1.252 CC(=CCSC1=CC=CC=C1)C ACS015597 [0,0,0,0,0,1|2,0,1]=4 58 B12R1.252 O(C1=CC=CC=C1)CCC(=O)O ACS015602 [0,0,0,0,0,1|0,0,2]=3 59 B9R1.8 C(=O)NC1=CC=CC=C1 ACS013972 [2,0,0,0,0,0|1,0,0]=3 60 B9R1.8 C(=O)OC1=CC=CC=C1 ACS012899 [2,0,0,0,0,0|1,0,0]=3 61 B9R1.8 C1(=CC=CC=C1)CCO ACS013753 [2,0,0,0,0,0|0,0,2]=4 62 B9R1.8 C1(=CC=CC=C1)N=C=O ACS014106 [2,0,0,0,0,0|1,0,1]=4 63 B11R1.1 FC1=CC=C(C=CC=O)C=C1 ACF014314 [1,1,0,0,0,0|0,0,0]=2 64 B11R1.20 BrC1=CC=C(C=C1)C=C(F)F ACF018635 [0,1,0,0,1,0|2,0,0]=4 65 B11R1.20 BrC1=CC=C(C=C1)CC(=O)O ACS010618 [0,1,0,0,1,0|0,0,1]=3 66 B11R1.20 BrC1=CC=C(C=C1)OC(C)=O ACS012680 [0,1,0,0,1,0|2,0,0]=4 67 B11R1.20 C(C)(=O)OC1=CC=C(C=C1)F ACF010438 [0,1,0,0,1,0|2,0,0]=4 68 B11R1.20 CC(=O)Nc1ccc(cc1)F ACF014024 [0,1,0,0,1,0|2,0,0]=4 69 B11R1.20 CC1=CC=C(C=C1)CC(=O)O ACS012986 [0,1,0,0,1,0|0,0,1]=3 70 B11R1.20 Cc1ccc(cc1)NC(=O)C ACS014026 [0,1,0,0,1,0|2,0,0]=4 71 B11R1.20 ClC1=CC=C(C=C1)CC(=O)O ACS012940 [0,1,0,0,1,0|0,0,1]=3 72 B11R1.20 FC1=CC=C(C=C1)CC(=O)O ACF012967 [0,1,0,0,1,0|0,0,1]=3 73 B11R1.20 NC1=CC=C(C=C1)CC(=O)O ACS012904 [0,1,0,0,1,0|0,0,1]=3 74 B11R1.20 OC1=CC=C(C=C1)CC(=O)O ACS012976 [0,1,0,0,1,0|0,0,1]=3 75 B11R1.20 SC1=CC=C(C=C1)CC(=O)O ACS012987 [0,1,0,0,1,0|0,0,1]=3 76 B11R1.20 c1cc(ccc1OC(=O)Cl)F ACF015513 [0,1,0,0,1,0|2,0,0]=4 77 B11R1.36 OC(C(=O)O)C1=CC=CC=C1 ACS012974 [0,1,0,0,1,0|0,0,1]=3 78 B11R1.86 BrC1=C(C=CC=C1)CC(=O)O ACS012928 [0,1,0,0,1,0|0,0,1]=3 79 B11R1.86 CC1=C(C=CC=C1)CC(=O)O ACS012985 [0,1,0,0,1,0|0,0,1]=3 80 B11R1.86 CC1=C(C=CC=C1)OC(C)=O ACS012685 [0,1,0,0,1,0|2,0,0]=4 81 B11R1.86 FC1=C(NC(C)=O)C=CC=C1 ACF012519 [0,1,0,0,1,0|2,0,0]=4 82 B11R1.86 IC1=C(C=CC=C1)CC(=O)O ACS012978 [0,1,0,0,1,0|0,0,1]=3 83 B11R1.86 OC1=C(C=CC=C1)CC(=O)O ACS012975 [0,1,0,0,1,0|0,0,1]=3 84 B11R1.157 BrC1=CC(=CC=C1)C=C(F)F ACF018636 [0,1,0,0,1,0|2,0,0]=4 85 B11R1.157 BrC=1C=C(C=CC1)CC(=O)O ACS010617 [0,1,0,0,1,0|0,0,1]=3 86 B11R1.157 BrC=1C=C(C=CC1)CC(C)=O ACS014617 [0,1,0,0,1,0|1,0,1]=4 87 B11R1.157 BrC=1C=C(C=CC1)OC(C)=O ACS012679 [0,1,0,0,1,0|2,0,0]=4 88 B11R1.157 CC(=O)Nc1cccc(c1)F ACF014023 [0,1,0,0,1,0|2,0,0]=4 89 B11R1.157 CC(=O)Nc1cccc(c1)N ACS014015 [0,1,0,0,1,0|2,0,0]=4 90 B11R1.157 CC=1C=C(C=CC1)OC(C)=O ACS012686 [0,1,0,0,1,0|2,0,0]=4 91 B11R1.157 ClC=1C=C(C=CC1)CC(=O)O ACS012939 [0,1,0,0,1,0|0,0,1]=3 92 B11R1.157 FC1=CC=CC(=N1)CC(=O)O ACF023166 [0,1,0,0,1,0|1,0,1]=4 93 B11R1.157 FC=1C=C(C=CC1)CC(=O)O ACF012966 [0,1,0,0,1,0|0,0,1]=3 94 B11R1.157 FC=1C=C(C=CC1)OC(C)=O ACF012682 [0,1,0,0,1,0|2,0,0]=4 95 B11R1.157 FC=1C=C(C=NC1)CC(=O)O ACF023333 [0,1,0,0,1,0|1,0,1]=4 96 B11R1.157 IC=1C=C(C=CC1)CC(=O)O ACS012979 [0,1,0,0,1,0|0,0,1]=3 97 B11R1.157 NC=1C=C(C=CC1)CC(=O)O ACS012903 [0,1,0,0,1,0|0,0,1]=3 98 B13R1.513 FC1=CC=C(OCCC(=O)O)C=C1 ACF015586 [0,1,0,0,0,1|0,0,2]=4 99 B13R1.3 C(=O)C1=CC=C(C=C1)CCC(=O)O ACS018853 [0,2,0,0,0,0|0,0,2]=4 100 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 ACS012242 [0,2,0,0,0,0|0,0,0]=2 101 B13R1.3 [N+](=O)([O-])\C=C\C1=CC=C(C#N)C=C1 ACS013662 [0,2,0,0,0,0|1,0,1]=4 102 B13R1.14 ClC1=CC=C(C=CC(=O)OC)C=C1 ACS016916 [0,2,0,0,0,0|0,0,0]=2 103 B13R1.14 OC1=CC=C(C=CC(=O)OC)C=C1 ACS012859 [0,2,0,0,0,0|0,0,0]=2 104 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)Br ACS013007 [0,2,0,0,0,0|0,0,2]=4 105 B13R1.133 ClC1=CC=C(C[C@@H](N)C(=O)O)C=C1 ACS011484 [0,2,0,0,0,0|0,0,2]=4 106 B13R1.133 NC(C(=O)O)CC1=CC=C(C=C1)Br ACS013006 [0,2,0,0,0,0|0,0,2]=4 107 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(=O)O ACS011627 [0,2,0,0,0,0|0,0,2]=4 108 B13R1.164 BrC1=CC(=C(C=CC(=O)O)C=C1)Cl ACS016913 [0,2,0,0,0,0|0,0,0]=2 109 B13R1.164 BrC1=CC(=C(C=CC(=O)O)C=C1)F ACF013022 [0,2,0,0,0,0|0,0,0]=2 110 B13R1.164 ClC1=C(C=CC(=C1)O)CCC(=O)O ACS013009 [0,2,0,0,0,0|0,0,2]=4 111 B13R1.164 ClC1=C(C=CC(=O)O)C=CC(=C1)C ACS013025 [0,2,0,0,0,0|0,0,0]=2 112 B13R1.164 ClC1=C(C=CC(=O)O)C=CC(=C1)Cl ACS013028 [0,2,0,0,0,0|0,0,0]=2 113 B13R1.164 ClC1=C(C=CC(=O)O)C=CC(=C1)O ACS013024 [0,2,0,0,0,0|0,0,0]=2 114 B13R1.164 FC1=C(C=CC(=C1)F)CCC(=O)O ACF013012 [0,2,0,0,0,0|0,0,2]=4 115 B13R1.164 FC1=C(C=CC(=O)O)C=CC(=C1)F ACF013029 [0,2,0,0,0,0|0,0,0]=2 116 B13R1.511 BrC=1C=C(C=CC(=O)O)C=CC1F ACF016914 [0,2,0,0,0,0|0,0,0]=2 117 B13R1.511 ClC=1C=C(C=CC(=O)O)C=CC1F ACF010587 [0,2,0,0,0,0|0,0,0]=2 118 B13R1.511 FC=1C=C(C=CC1F)CCC(=O)O ACF013013 [0,2,0,0,0,0|0,0,2]=4 119 B13R1.511 FC=1C=C(\C=C\C(=O)O)C=CC1F ACF010450 [0,2,0,0,0,0|0,0,0]=2 120 B13R1.148 N[C@H](C(=O)O)CC1=CC(=CC=C1)Br ACS011879 [0,2,0,0,0,0|0,0,2]=4 121 B13R1.152 BrC(C(=O)O)C(C1=CC=CC=C1)Br ACS013011 [0,2,0,0,0,0|0,0,2]=4 122 B13R1.90 OCC1=C(OCC(=O)O)C=CC=C1 ACS020933 [0,2,0,0,0,0|1,0,1]=4 123 B13R1.893 CC1=C(OCC(=O)O)C=C(C=C1)C ACS015582 [0,2,0,0,0,0|1,0,1]=4 124 B13R1.893 FC1=C(C=CC(=O)O)C=C(C=C1)F ACF013030 [0,2,0,0,0,0|0,0,0]=2 125 B13R1.3420 FC=1C=C(C=C(C1)F)CCC(=O)O ACF013014 [0,2,0,0,0,0|0,0,2]=4 126 B13R1.3420 FC=1C=C(C=CC(=O)O)C=C(C1)F ACF013031 [0,2,0,0,0,0|0,0,0]=2 127 B11R1.53 BrCC1=C(C(=O)O)C=CC=C1 ACS013105 [0,0,1,1,0,0|1,0,1]=4 128 B11R1.53 C(#N)C1=C(C(=O)O)C=CC=C1 ACS013147 [0,0,1,1,0,0|1,0,1]=4 129 B11R1.266 BrCC=1C=C(C(=O)O)C=CC1 ACS013106 [0,0,1,1,0,0|1,0,1]=4 130 B11R1.266 C(#N)C=1C=C(C(=O)O)C=CC1 ACS016490 [0,0,1,1,0,0|1,0,1]=4 131 B11R1.266 C(=O)C=1C=C(C(=O)O)C=CC1 ACS013208 [0,0,1,1,0,0|1,0,0]=3 132 B11R1.266 COC=1C=C(C(=O)O)C=CC1 ACS013224 [0,0,1,1,0,0|1,0,1]=4 133 B11R1.266 ClCC=1C=C(C(=O)O)C=CC1 ACS013135 [0,0,1,1,0,0|1,0,1]=4 134 B11R1.167 BrC1=C(C(=O)O)C=C(C=C1)C ACS013101 [0,0,1,1,0,0|1,0,1]=4 135 B11R1.167 BrC1=C(C(=O)O)C=C(C=C1)Cl ACS013075 [0,0,1,1,0,0|2,0,0]=4 136 B11R1.167 BrC1=C(C(=O)O)C=C(C=C1)F ACF012453 [0,0,1,1,0,0|2,0,0]=4 137 B11R1.167 BrC1=C(C(=O)O)C=C(C=C1)I ACS016445 [0,0,1,1,0,0|2,0,0]=4 138 B11R1.167 BrC=1C=CC(=C(C(=O)O)C1)Cl ACS013079 [0,0,1,1,0,0|2,0,0]=4 139 B11R1.167 BrC=1C=CC(=C(C(=O)O)C1)F ACF010102 [0,0,1,1,0,0|2,0,0]=4 140 B11R1.167 BrC=1C=CC(=C(C(=O)O)C1)I ACS013096 [0,0,1,1,0,0|2,0,0]=4 141 B11R1.167 CC1=C(C(=O)O)C=C(C=C1)C ACS013179 [0,0,1,1,0,0|0,0,2]=4 142 B11R1.167 ClC1=C(C(=O)O)C=C(C=C1)C ACS013133 [0,0,1,1,0,0|1,0,1]=4 143 B11R1.167 ClC1=C(C(=O)O)C=C(C=C1)Cl ACS010518 [0,0,1,1,0,0|2,0,0]=4 144 B11R1.167 ClC1=C(C(=O)O)C=C(C=C1)F ACF012446 [0,0,1,1,0,0|2,0,0]=4 145 B11R1.167 ClC1=C(C(=O)O)C=C(C=C1)I ACS017111 [0,0,1,1,0,0|2,0,0]=4 146 B11R1.167 ClC1=C(C(=O)O)C=C(C=C1)O ACS016474 [0,0,1,1,0,0|2,0,0]=4 147 B11R1.167 ClC=1C=CC(=C(C(=O)O)C1)C ACS013139 [0,0,1,1,0,0|1,0,1]=4 148 B11R1.167 ClC=1C=CC(=C(C(=O)O)C1)F ACF012445 [0,0,1,1,0,0|2,0,0]=4 149 B11R1.167 ClC=1C=CC(=C(C(=O)O)C1)I ACS013132 [0,0,1,1,0,0|2,0,0]=4 150 B11R1.167 FC1=C(C(=O)O)C=C(C=C1)C ACF013197 [0,0,1,1,0,0|1,0,1]=4 151 B11R1.167 FC1=C(C(=O)O)C=C(C=C1)F ACF012438 [0,0,1,1,0,0|2,0,0]=4 152 B11R1.167 FC1=C(C(=O)O)C=C(C=C1)I ACF016528 [0,0,1,1,0,0|2,0,0]=4 153 B11R1.167 FC1=C(C(=O)O)C=C(C=C1)O ACF010303 [0,0,1,1,0,0|2,0,0]=4 154 B11R1.167 FC=1C=CC(=C(C(=O)O)C1)C ACF010106 [0,0,1,1,0,0|1,0,1]=4 155 B11R1.167 FC=1C=CC(=C(C(=O)O)C1)I ACF013193 [0,0,1,1,0,0|2,0,0]=4 156 B11R1.167 FC=1C=CC(=C(C(=O)O)C1)O ACF010122 [0,0,1,1,0,0|2,0,0]=4 157 B11R1.167 IC1=C(C(=O)O)C=C(C=C1)I ACS016513 [0,0,1,1,0,0|2,0,0]=4 158 B11R1.167 IC=1C=CC(=C(C(=O)O)C1)C ACS017116 [0,0,1,1,0,0|1,0,1]=4 159 B11R1.167 NC1=C(C(=O)O)C=C(C=C1)C ACS013059 [0,0,1,1,0,0|1,0,1]=4 160 B11R1.167 NC1=C(C(=O)O)C=C(C=C1)Cl ACS010504 [0,0,1,1,0,0|2,0,0]=4 161 B11R1.167 NC1=C(C(=O)O)C=C(C=C1)F ACF012451 [0,0,1,1,0,0|2,0,0]=4 162 B11R1.167 NC=1C=CC(=C(C(=O)O)C1)Br ACS013047 [0,0,1,1,0,0|2,0,0]=4 163 B11R1.167 NC=1C=CC(=C(C(=O)O)C1)F ACF016398 [0,0,1,1,0,0|2,0,0]=4 164 B11R1.167 OC=1C=CC(=C(C(=O)O)C1)C ACS017590 [0,0,1,1,0,0|1,0,1]=4 165 B11R1.167 c1cc(c(cc1N)C(=O)O)O ACS011875 [0,0,1,1,0,0|2,0,0]=4 166 B11R2.1 BrC1=COC2=C1C=CC=C2 ACS017484 [1,0,0,1,0,0|2,0,0]=4 167 B11R2.1 C1(NCC2=CC=CC=C12)=O ACS017554 [1,0,0,1,0,0|1,0,1]=4 168 B11R2.1 C1(OCC2=C1C=CC=C2)=O ACS015427 [1,0,0,1,0,0|1,0,1]=4 169 B11R2.1 N1NC(C2=CC=CC=C12)=O ACS017555 [1,0,0,1,0,0|2,0,0]=4 170 B11R2.1 O1N=C(C2=C1C=CC=C2)O ACS018863 [1,0,0,1,0,0|2,0,0]=4 171 B11R2.20 C1=NC=CC2=CC=CC=C12 ACS015488 [1,0,0,1,0,0|2,0,0]=4 172 B11R2.20 N1=CC=CC2=CN=CC=C12 ACS019270 [1,0,0,1,0,0|2,0,0]=4 173 B11R2.20 N1=CC=CC2=NC=CC=C12 ACS019642 [1,0,0,1,0,0|2,0,0]=4 174 B11R2.10 BrC=1OC2=C(N1)C=CC=C2 ACS019241 [0,0,0,1,1,0|2,0,0]=4 175 B11R2.10 C1C(CC2=CC=CC=C12)=O ACS015485 [0,0,0,1,1,0|1,0,1]=4 176 B11R2.10 CC=1CC2=CC=CC=C2C1 ACS010787 [0,0,0,1,1,0|2,0,0]=4 177 B11R2.10 CC=1NC2=CC=CC=C2C1 ACS011044 [0,0,0,1,1,0|2,0,0]=4 178 B11R2.10 O1C(CC2=C1C=CC=C2)=O ACS012026 [0,0,0,1,1,0|0,0,1]=3 179 B11R2.10 SC=1OC2=C(N1)C=CC=C2 ACS011162 [0,0,0,1,1,0|1,1,0]=4 180 B11R2.36 O1C=CC2=C1C=C(C=C2)O ACS017489 [0,0,0,1,1,0|2,0,0]=4 181 B11R2.36 O1C=CC2=C1C=CC(=C2)O ACS020186 [0,0,0,1,1,0|2,0,0]=4 182 B11R2.36 OC=1C=C2C=CNC2=CC1 ACS011023 [0,0,0,1,1,0|2,0,0]=4 183 B11R2.36 S1C2=C(C=C1)C=CC(=C2)O ACS018372 [0,0,0,1,1,0|2,0,0]=4 184 B13R2.10 BrC1=CN=C(S1)C2=CC=CC=C2 ACS020840 [0,0,0,1,0,1|1,1,0]=4 185 B13R2.10 BrC=1N=C(SC1)C2=CC=CC=C2 ACS019443 [0,0,0,1,0,1|2,0,0]=4 186 B13R2.10 C1(=CC=CC=C1)C=2N=C(OC2)N ACS012178 [0,0,0,1,0,1|2,0,0]=4 187 B13R2.72 N1=CC(=C2N1C=CC=N2)C(=O)O ACS012302 [0,0,0,1,0,1|2,0,0]=4 188 B13R2.72 N1C=C(C2=CC=CC=C12)C(=O)O ACS016918 [0,0,0,1,0,1|0,0,0]=2 189 B13R2.72 N1N=C(C2=CC=CC=C12)C(C)=O ACS020943 [0,0,0,1,0,1|2,0,0]=4 190 B13R2.155 BrC1=CC=C2C=CC(=NC2=C1)Cl ACS017361 [0,1,0,1,0,0|2,0,0]=4 191 B13R2.155 BrC1=CC=C2C=CC(=NC2=C1)N ACS020497 [0,1,0,1,0,0|2,0,0]=4 192 B13R2.155 OC1=CC=C2C=CC(NC2=C1)=O ACS010856 [0,1,0,1,0,0|1,0,0]=3 193 B13R2.32 BrC1=C(C2=CC=CC=C2C=C1)O ACS020045 [0,1,0,1,0,0|1,0,0]=3 194 B13R2.32 BrC1=C(C=CC2=CC=CC=C12)N ACS020343 [0,1,0,1,0,0|2,0,0]=4 195 B13R2.32 BrC=1C(=CC=C2C=CN=CC12)O ACS020733 [0,1,0,1,0,0|2,0,0]=4 196 B13R2.57 C1=C(C=CC2=CC=CC=C12)CN ACS016020 [0,1,0,1,0,0|2,0,0]=4 197 B13R2.57 ClCC1=CC2=CC=CC=C2C=C1 ACS017163 [0,1,0,1,0,0|2,0,0]=4 198 B13R2.57 N1=CC=CC2=CC(=CC=C12)C=O ACS011306 [0,1,0,1,0,0|2,0,0]=4 199 B13R2.369 CC1=C(C=C2C=CC=NC2=C1)O ACS020406 [0,1,0,1,0,0|2,0,0]=4 200 B13R2.435 N1=C2C(=NC=C1)SC(=C2)C(=O)O ACS017737 [0,1,0,1,0,0|2,0,0]=4 201 B13R2.435 N1C(CC2=CC=CC=C12)C(=O)O ACS010434 [0,1,0,1,0,0|0,0,2]=4 202 B13R2.435 N=1C(=CN2C1C=NC=C2)C(=O)O ACS019230 [0,1,0,1,0,0|2,0,0]=4 203 B13R2.435 N=1C(=CN2C1N=CC=C2)C(=O)O ACS020845 [0,1,0,1,0,0|2,0,0]=4 204 B13R2.435 O1C(=NC2=C1C=CC=C2)C(=O)O ACS019479 [0,1,0,1,0,0|1,0,0]=3 205 B13R2.435 S1C(=CC2=NC=CC=C21)C(=O)O ACS018423 [0,1,0,1,0,0|1,0,0]=3 206 B13R2.435 S1C(=CC=2C1=CN=CC2)C(=O)O ACS017727 [0,1,0,1,0,0|1,0,0]=3 207 B13R2.435 S1C(=CC=2C1=NC=CC2)C(=O)O ACS017496 [0,1,0,1,0,0|1,0,0]=3 208 B13R2.435 S1C(=CC=2C=NC=CC21)C(=O)O ACS017501 [0,1,0,1,0,0|1,0,0]=3 209 B13R2.328 BrC1=CC(=CC2=CC=CC=C12)I ACS020897 [0,1,0,1,0,0|2,0,0]=4 210 B13R2.328 BrC1=CC(=NC2=CC=CC=C12)N ACS017351 [0,1,0,1,0,0|2,0,0]=4 211 B13R2.328 BrC1=NC2=CC=CC=C2C(=C1)N ACS018879 [0,1,0,1,0,0|2,0,0]=4 212 B13R2.328 ClC1=CC(=NC2=CC=CC=C12)N ACS019193 [0,1,0,1,0,0|2,0,0]=4 213 B13R2.328 NC1=NC2=CC=CC=C2C(=C1)O ACS019189 [0,1,0,1,0,0|2,0,0]=4 214 B13R2.328 OC1=CC(=CC2=CC=CC=C12)O ACS024035 [0,1,0,1,0,0|1,0,0]=3 215 B13R2.328 c1ccc2c(c1)c(nc(n2)O)O ACS015511 [0,1,0,1,0,0|2,0,0]=4 216 B13R2.5179 BrC1=C2C=CC(=NC2=CC=C1)N ACS017350 [0,1,0,1,0,0|2,0,0]=4 217 B13R2.5179 CC=1C=C2C=CC=C(C2=CC1)N ACS020770 [0,1,0,1,0,0|2,0,0]=4 218 B13R2.5179 FC=1C=C2C=CC=C(C2=CC1)N ACF020819 [0,1,0,1,0,0|2,0,0]=4 219 B13R2.5179 NC1=C2C=CC(=NC2=CC=C1)C ACS015418 [0,1,0,1,0,0|2,0,0]=4 220 B13R2.162 BrC=1C=CC=C2C=CC(=NC12)N ACS019117 [0,1,0,1,0,0|2,0,0]=4 221 B13R2.162 BrC=1C=CC=C2C=CC(NC12)=O ACS017354 [0,1,0,1,0,0|1,0,0]=3 222 B13R2.162 ClC1=NC=CC2=CC=C(C=C12)O ACS020752 [0,1,0,1,0,0|2,0,0]=4 223 B13R2.3683 BrC1=CC2=CC=C(C=C2C=C1)F ACF015437 [0,1,0,1,0,0|2,0,0]=4 224 B13R2.3683 BrC=1C=C2C=CC(=CC2=CC1)O ACS015440 [0,1,0,1,0,0|1,0,0]=3 225 B13R2.3683 BrC=1C=C2C=CC(NC2=CC1)=O ACS017355 [0,1,0,1,0,0|1,0,0]=3 226 B13R2.3683 BrC=1C=C2C=NC(NC2=CC1)=O ACS023890 [0,1,0,1,0,0|2,0,0]=4 227 B13R2.3683 BrC=1C=C2CCC(OC2=CC1)=O ACS020481 [0,1,0,1,0,0|0,0,2]=4 228 B13R2.3683 CC=1C=C2C=CC(=CC2=CC1)O ACS019324 [0,1,0,1,0,0|1,0,0]=3 229 B13R2.3683 ClC=1C=C2C=CC(=CC2=CC1)O ACS017384 [0,1,0,1,0,0|1,0,0]=3 230 B13R2.3683 FC=1C=C2C=CC(=CC2=CC1)N ACF017273 [0,1,0,1,0,0|2,0,0]=4 231 B13R2.3683 FC=1C=C2C=CC(=CC2=CC1)O ACF017274 [0,1,0,1,0,0|1,0,0]=3 232 B13R2.3683 FC=1C=C2C=CC(=NC2=CC1)C ACF015475 [0,1,0,1,0,0|2,0,0]=4 233 B13R2.3683 NC1=CC2=CC=C(C=C2C=C1)Br ACS015412 [0,1,0,1,0,0|2,0,0]=4 234 B13R2.3683 NC=1C=C2C=CC(NC2=CC1)=O ACS019131 [0,1,0,1,0,0|1,0,0]=3 235 B13R2.3683 NC=1C=C2N=CC(NC2=CC1)=O ACS020816 [0,1,0,1,0,0|2,0,0]=4 236 B9R1.6 C(C)(=O)C1=CC=CC=C1 ACS014482 [0,0,0,0,2,0|1,0,0]=3 237 B9R1.6 C(C)(=O)C1=CC=NC=C1 ACS015121 [0,0,0,0,2,0|2,0,0]=4 238 B9R1.6 C(C)(=O)C=1C=NC=CC1 ACS015120 [0,0,0,0,2,0|2,0,0]=4 239 B9R1.6 C(C1=CC=CC=C1)(=O)Br ACS013424 [0,0,0,0,2,0|1,0,0]=3 240 B9R1.6 C(C1=CC=CC=C1)(=O)Cl ACS013369 [0,0,0,0,2,0|1,0,0]=3 241 B9R1.6 C(C1=CC=CC=C1)(=O)O ACS013070 [0,0,0,0,2,0|0,0,0]=2 242 B9R1.6 C(C1=CC=CC=C1)(N)=S ACS011899 [0,0,0,0,2,0|1,1,0]=4 243 B9R1.6 C1(=CC=CC=C1)B(O)O ACS010224 [0,0,0,0,2,0|1,0,1]=4 244 B9R1.6 C[C@@H](c1ccccc1)O ACS010971 [0,0,0,0,2,0|1,0,1]=4 245 B9R1.6 N1=C(C=CC=C1)C(=O)O ACS015244 [0,0,0,0,2,0|1,0,0]=3 246 B9R1.6 N1=C(N=CC=C1)C(=O)O ACS011249 [0,0,0,0,2,0|2,0,0]=4 247 B9R1.6 N1=CC(=CC=C1)C(=O)O ACS015245 [0,0,0,0,2,0|1,0,0]=3 248 B9R1.6 N1=CN=C(C=C1)C(=O)O ACS010776 [0,0,0,0,2,0|2,0,0]=4 249 B9R1.6 N1=NC=C(C=C1)C(=O)O ACS015389 [0,0,0,0,2,0|2,0,0]=4 250 B9R1.6 [N+](=O)([O-])C1=CC=CC=C1 ACS015105 [0,0,0,0,2,0|1,0,1]=4 251 B13R1.337 C(C1=CC=CC=C1)OCCC(=O)O ACS020409 [0,0,0,0,0,2|0,0,2]=4