0 B10R1.18 BrC(CC1=CC=CC=C1)C ACS015572 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.18 C(C)(C)OC1=CC=CC=C1 ACS014743 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.18 C1(=CC=CC=C1)CC(=O)O ACS012991 [0,0,0,0,0,0|0,0,0]=0 3 B10R1.18 ClC(=O)OC1=CC=CC=C1 ACS017180 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.18 FC(OC1=CC=CC=C1)F ACF014775 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.18 N1=C(C=CC=C1)CC(=O)O ACS015242 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.18 N1=CC=C(C=C1)CC(=O)O ACS015243 [0,0,0,0,0,0|1,0,0]=1 7 B9R1.8 BrCCC1=CC=CC=C1 ACS013490 [1,0,0,0,0,0|1,0,1]=3 8 B9R1.8 C(#N)CC1=NC=CC=C1 ACS015180 [1,0,0,0,0,0|2,0,1]=4 9 B9R1.8 C(#N)CC=1C=NC=CC1 ACS015181 [1,0,0,0,0,0|2,0,1]=4 10 B9R1.8 C(=O)NC1=CC=CC=C1 ACS013972 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.8 C(=O)OC1=CC=CC=C1 ACS012899 [1,0,0,0,0,0|1,0,0]=2 12 B9R1.8 C(C)NC1=CC=CC=C1 ACS013960 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.8 C(C1=CC=CC=C1)ON ACS011006 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.8 C(CC1=CC=CC=C1)N ACS014044 [1,0,0,0,0,0|1,0,1]=3 15 B9R1.8 C1(=CC=CC=C1)CC#N ACS011959 [1,0,0,0,0,0|1,0,1]=3 16 B9R1.8 C1(=CC=CC=C1)CCO ACS013753 [1,0,0,0,0,0|0,0,1]=2 17 B9R1.8 C1(=CC=CC=C1)N=C=O ACS014106 [1,0,0,0,0,0|1,0,1]=3 18 B9R1.8 CNCC1=CC=CC=C1 ACS010845 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.8 CNCC1=CC=CC=C1 ACS012120 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.8 FCCC1=CC=CC=C1 ACF015043 [1,0,0,0,0,0|1,0,1]=3 21 B9R1.8 NCCC=1C=NC=CC1 ACS015130 [1,0,0,0,0,0|2,0,1]=4 22 B9R1.8 OCCC=1C=NC=CC1 ACS023955 [1,0,0,0,0,0|1,0,1]=3 23 B9R1.8 c1ccnc(c1)CCN ACS015129 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.20 BrC1=CC=C(C=C1)C=C(F)F ACF018635 [0,1,0,0,0,0|2,0,1]=4 25 B11R1.20 BrC1=CC=C(C=C1)CC(=O)O ACS010618 [0,1,0,0,0,0|0,0,0]=1 26 B11R1.20 BrC1=CC=C(C=C1)OC(C)=O ACS012680 [0,1,0,0,0,0|2,0,0]=3 27 B11R1.20 BrC=1C=CC(=NC1)NC(C)=O ACS015159 [0,1,0,0,0,0|3,0,0]=4 28 B11R1.20 C(C)(=O)OC1=CC=C(C=C1)F ACF010438 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.20 CC(=O)Nc1ccc(cc1)F ACF014024 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.20 CC(C)Cc1ccc(cc1)Br ACS016336 [0,1,0,0,0,0|2,0,1]=4 31 B11R1.20 CC1=CC=C(C=C1)CC(=O)O ACS012986 [0,1,0,0,0,0|0,0,0]=1 32 B11R1.20 Cc1ccc(cc1)NC(=O)C ACS014026 [0,1,0,0,0,0|2,0,0]=3 33 B11R1.20 ClC1=CC=C(C=C1)CC(=O)O ACS012940 [0,1,0,0,0,0|0,0,0]=1 34 B11R1.20 FC1=CC=C(C=C1)CC(=O)O ACF012967 [0,1,0,0,0,0|0,0,0]=1 35 B11R1.20 FC1=CC=C(C=C1)CC(N)=N ACF022183 [0,1,0,0,0,0|2,0,0]=3 36 B11R1.20 FC=1C=NC(=NC1)CC(=O)O ACF022297 [0,1,0,0,0,0|2,0,0]=3 37 B11R1.20 NC1=CC=C(C=C1)CC(=O)O ACS012904 [0,1,0,0,0,0|0,0,0]=1 38 B11R1.20 OC1=CC=C(C=C1)CC(=O)O ACS012976 [0,1,0,0,0,0|0,0,0]=1 39 B11R1.20 SC1=CC=C(C=C1)CC(=O)O ACS012987 [0,1,0,0,0,0|0,0,0]=1 40 B11R1.20 c1cc(ccc1OC(=O)Cl)F ACF015513 [0,1,0,0,0,0|2,0,0]=3 41 B11R1.36 OC(C(=O)O)C1=CC=CC=C1 ACS012974 [0,1,0,0,0,0|0,0,0]=1 42 B11R1.40 C1(=CC=CC=C1)CC(CC)=O ACS014616 [0,1,0,0,0,0|1,0,0]=2 43 B11R1.40 C1(=CC=CC=C1)OC(NC)=O ACS017176 [0,1,0,0,0,0|2,0,0]=3 44 B11R1.86 BrC1=C(C=CC=C1)CC(=O)O ACS012928 [0,1,0,0,0,0|0,0,0]=1 45 B11R1.86 CC1=C(C=CC=C1)CC(=O)O ACS012985 [0,1,0,0,0,0|0,0,0]=1 46 B11R1.86 CC1=C(C=CC=C1)OC(C)=O ACS012685 [0,1,0,0,0,0|2,0,0]=3 47 B11R1.86 FC1=C(C=CC=C1)CC(N)=N ACF022179 [0,1,0,0,0,0|2,0,0]=3 48 B11R1.86 FC1=C(C=CC=C1)NC(=S)N ACF014087 [0,1,0,0,0,0|2,1,0]=4 49 B11R1.86 FC1=C(NC(C)=O)C=CC=C1 ACF012519 [0,1,0,0,0,0|2,0,0]=3 50 B11R1.86 IC1=C(C=CC=C1)CC(=O)O ACS012978 [0,1,0,0,0,0|0,0,0]=1 51 B11R1.86 OC1=C(C=CC=C1)CC(=O)O ACS012975 [0,1,0,0,0,0|0,0,0]=1 52 B11R1.157 BrC1=CC(=CC=C1)C=C(F)F ACF018636 [0,1,0,0,0,0|2,0,1]=4 53 B11R1.157 BrC1=CC(=CC=C1)CC(C)C ACS020266 [0,1,0,0,0,0|2,0,1]=4 54 B11R1.157 BrC=1C=C(C=CC1)CC(=O)O ACS010617 [0,1,0,0,0,0|0,0,0]=1 55 B11R1.157 BrC=1C=C(C=CC1)CC(C)=O ACS014617 [0,1,0,0,0,0|1,0,0]=2 56 B11R1.157 BrC=1C=C(C=CC1)OC(C)=O ACS012679 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.157 CC(=O)Nc1cccc(c1)F ACF014023 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.157 CC(=O)Nc1cccc(c1)N ACS014015 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.157 CC=1C=C(C=CC1)OC(C)=O ACS012686 [0,1,0,0,0,0|2,0,0]=3 60 B11R1.157 ClC=1C=C(C=CC1)CC(=O)O ACS012939 [0,1,0,0,0,0|0,0,0]=1 61 B11R1.157 FC1=CC=CC(=N1)CC(=O)O ACF023166 [0,1,0,0,0,0|1,0,0]=2 62 B11R1.157 FC=1C=C(C=CC1)CC(=O)O ACF012966 [0,1,0,0,0,0|0,0,0]=1 63 B11R1.157 FC=1C=C(C=CC1)CC(N)=N ACF022181 [0,1,0,0,0,0|2,0,0]=3 64 B11R1.157 FC=1C=C(C=CC1)OC(C)=O ACF012682 [0,1,0,0,0,0|2,0,0]=3 65 B11R1.157 FC=1C=C(C=NC1)CC(=O)O ACF023333 [0,1,0,0,0,0|1,0,0]=2 66 B11R1.157 IC=1C=C(C=CC1)CC(=O)O ACS012979 [0,1,0,0,0,0|0,0,0]=1 67 B11R1.157 NC=1C=C(C=CC1)CC(=O)O ACS012903 [0,1,0,0,0,0|0,0,0]=1 68 B11R1.509 C(C1=CC=CC=C1)[N+](C)(C)C ACS011079 [0,1,0,0,0,0|3,0,0]=4 69 B11R1.509 C1=CC=C(C=C1)CS(=O)(=O)F ACF024273 [0,1,0,0,0,0|1,0,1]=3 70 B11R1.509 S(OC1=CC=CC=C1)(=O)(=O)F ACF024333 [0,1,0,0,0,0|2,0,1]=4 71 B11R2.10 BrC=1OC2=C(N1)C=CC=C2 ACS019241 [0,0,0,1,0,0|2,0,0]=3 72 B11R2.10 BrC=1SC2=C(N1)C=CC=C2 ACS023936 [0,0,0,1,0,0|2,1,0]=4 73 B11R2.10 C1C(CC2=CC=CC=C12)=O ACS015485 [0,0,0,1,0,0|1,0,0]=2 74 B11R2.10 C1N(CC2=CC=CC=C12)N ACS019146 [0,0,0,1,0,0|3,0,0]=4 75 B11R2.10 CC=1CC2=CC=CC=C2C1 ACS010787 [0,0,0,1,0,0|2,0,0]=3 76 B11R2.10 CC=1NC2=CC=CC=C2C1 ACS011044 [0,0,0,1,0,0|2,0,1]=4 77 B11R2.10 CC=1OC=2C(=NC=CC2)N1 ACS020926 [0,0,0,1,0,0|3,0,0]=4 78 B11R2.10 ClC=1NC2=C(N1)C=CC=C2 ACS011055 [0,0,0,1,0,0|3,0,0]=4 79 B11R2.10 ClC=1OC2=NC=CC=C2N1 ACS019247 [0,0,0,1,0,0|3,0,0]=4 80 B11R2.10 N1=C(OC2=NC=CC=C21)N ACS019246 [0,0,0,1,0,0|3,0,0]=4 81 B11R2.10 N1=C(OC=2C=NC=CC21)N ACS020200 [0,0,0,1,0,0|3,0,0]=4 82 B11R2.10 N1C(NC2=NC=CC=C21)=O ACS024033 [0,0,0,1,0,0|3,0,0]=4 83 B11R2.10 NC=1NC2=C(N1)C=CC=C2 ACS011188 [0,0,0,1,0,0|3,0,0]=4 84 B11R2.10 NC=1SC2=C(N1)C=CC=C2 ACS015408 [0,0,0,1,0,0|2,1,0]=4 85 B11R2.10 O1C(=NC=2C=NC=CC21)N ACS019244 [0,0,0,1,0,0|3,0,0]=4 86 B11R2.10 O1C(CC2=C1C=CC=C2)=O ACS012026 [0,0,0,1,0,0|0,0,0]=1 87 B11R2.10 ON1CC2=CC=CC=C2C1 ACS015477 [0,0,0,1,0,0|2,0,0]=3 88 B11R2.10 SC=1NC2=C(N1)C=CC=C2 ACS011577 [0,0,0,1,0,0|2,1,0]=4 89 B11R2.10 SC=1OC2=C(N1)C=CC=C2 ACS011162 [0,0,0,1,0,0|1,1,0]=3 90 B11R2.10 c1ccc2c(c1)CC(C2)N ACS015406 [0,0,0,1,0,0|2,0,1]=4 91 B9R1.6 BrC(C)C1=CC=CC=C1 ACS013489 [0,0,0,0,1,0|2,0,1]=4 92 B9R1.6 C(C)(=O)C1=CC=CC=C1 ACS014482 [0,0,0,0,1,0|1,0,0]=2 93 B9R1.6 C(C)(=O)C1=CC=NC=C1 ACS015121 [0,0,0,0,1,0|2,0,0]=3 94 B9R1.6 C(C)(=O)C=1C=NC=CC1 ACS015120 [0,0,0,0,1,0|2,0,0]=3 95 B9R1.6 C(C1=CC=CC=C1)(=O)Br ACS013424 [0,0,0,0,1,0|1,0,0]=2 96 B9R1.6 C(C1=CC=CC=C1)(=O)Cl ACS013369 [0,0,0,0,1,0|1,0,0]=2 97 B9R1.6 C(C1=CC=CC=C1)(=O)O ACS013070 [0,0,0,0,1,0|0,0,0]=1 98 B9R1.6 C(C1=CC=CC=C1)(Cl)Cl ACS013523 [0,0,0,0,1,0|2,0,1]=4 99 B9R1.6 C(C1=CC=CC=C1)(N)=S ACS011899 [0,0,0,0,1,0|1,1,0]=3 100 B9R1.6 C(N)(=N)C=1C=[NH+]C=CC1 ACS017140 [0,0,0,0,1,0|3,0,0]=4 101 B9R1.6 C1(=CC=CC=C1)B(O)O ACS010224 [0,0,0,0,1,0|1,0,1]=3 102 B9R1.6 C1(=CC=CC=C1)C(C)N ACS024407 [0,0,0,0,1,0|2,0,1]=4 103 B9R1.6 CC(=O)c1ncccn1 ACS023767 [0,0,0,0,1,0|3,0,0]=4 104 B9R1.6 CN(C1=CC=CC=C1)C ACS013954 [0,0,0,0,1,0|3,0,0]=4 105 B9R1.6 C[C@@H](c1ccccc1)N ACS010886 [0,0,0,0,1,0|2,0,1]=4 106 B9R1.6 C[C@@H](c1ccccc1)O ACS010971 [0,0,0,0,1,0|1,0,1]=3 107 B9R1.6 C[C@H](c1ccccc1)N ACS010885 [0,0,0,0,1,0|2,0,1]=4 108 B9R1.6 FC(F)C1=CC=CC=C1 ACF014847 [0,0,0,0,1,0|2,0,1]=4 109 B9R1.6 N1=C(C=CC=C1)B(O)O ACS010589 [0,0,0,0,1,0|2,0,1]=4 110 B9R1.6 N1=C(C=CC=C1)C(=O)O ACS015244 [0,0,0,0,1,0|1,0,0]=2 111 B9R1.6 N1=C(C=CC=C1)C(N)=N ACS017139 [0,0,0,0,1,0|3,0,0]=4 112 B9R1.6 N1=C(C=CC=C1)[C@@H](C)O ACS010823 [0,0,0,0,1,0|2,0,1]=4 113 B9R1.6 N1=C(N=CC=C1)C(=O)O ACS011249 [0,0,0,0,1,0|2,0,0]=3 114 B9R1.6 N1=CC(=CC=C1)B(O)O ACS010287 [0,0,0,0,1,0|2,0,1]=4 115 B9R1.6 N1=CC(=CC=C1)C(=O)O ACS015245 [0,0,0,0,1,0|1,0,0]=2 116 B9R1.6 N1=CC=C(C=C1)B(O)O ACS010757 [0,0,0,0,1,0|2,0,1]=4 117 B9R1.6 N1=CN=C(C=C1)C(=O)O ACS010776 [0,0,0,0,1,0|2,0,0]=3 118 B9R1.6 N1=CN=C(C=C1)C(C)=O ACS019012 [0,0,0,0,1,0|3,0,0]=4 119 B9R1.6 N1=NC=C(C=C1)C(=O)O ACS015389 [0,0,0,0,1,0|2,0,0]=3 120 B9R1.6 [N+](=O)([O-])C1=CC=CC=C1 ACS015105 [0,0,0,0,1,0|1,0,1]=3 121 B11R1.91 C(=C/C1=CC=CC=C1)\B(O)O ACS019300 [0,0,0,0,0,1|1,0,2]=4 122 B11R1.91 C(C=CC1=CC=CC=C1)(=O)O ACS013027 [0,0,0,0,0,1|0,0,1]=2 123 B11R1.91 C1(=CC=CC=C1)C=CB(O)O ACS020908 [0,0,0,0,0,1|1,0,2]=4 124 B11R1.91 C1(=CC=CC=C1)NCC(=O)O ACS024393 [0,0,0,0,0,1|0,0,0]=1 125 B11R1.91 N1=CC(=CC=C1)\C=C\C(=O)O ACS011792 [0,0,0,0,0,1|1,0,1]=3 126 B11R1.91 N1=CC=C(C=C1)OCC(=O)O ACS020765 [0,0,0,0,0,1|1,0,0]=2 127 B11R1.91 [N+](=O)([O-])CCC1=CC=CC=C1 ACS012492 [0,0,0,0,0,1|1,0,1]=3 128 B11R1.91 c1cc(cnc1)\C=C\C(=O)O ACS010540 [0,0,0,0,0,1|1,0,1]=3 129 B8R1.2 C(C)C1=CC=CC=C1 ACS015042 [2,0,0,0,0,0|0,0,1]=3 130 B8R1.2 C(C1=CC=CC=C1)#N ACS013542 [2,0,0,0,0,0|1,0,1]=4 131 B8R1.2 C(C1=CC=CC=C1)=O ACS014139 [2,0,0,0,0,0|0,0,0]=2 132 B8R1.2 C(C1=CC=CC=C1)Br ACS013426 [2,0,0,0,0,0|1,0,0]=3 133 B8R1.2 C(C1=CC=CC=C1)Cl ACS013497 [2,0,0,0,0,0|1,0,0]=3 134 B8R1.2 C(C1=CC=CC=C1)N ACS013819 [2,0,0,0,0,0|1,0,0]=3 135 B8R1.2 C(C1=CC=CC=C1)O ACS013672 [2,0,0,0,0,0|0,0,0]=2 136 B8R1.2 C1(=CC=CC=C1)OC ACS014644 [2,0,0,0,0,0|1,0,1]=4 137 B8R1.2 N(=O)C1=CC=CC=C1 ACS015119 [2,0,0,0,0,0|1,0,0]=3 138 B8R1.2 OCC1=NC=CC=C1 ACS015217 [2,0,0,0,0,0|1,0,0]=3 139 B10R1.1 BrC1=CC=C(C=C1)CCO ACS013737 [1,1,0,0,0,0|0,0,1]=3 140 B10R1.1 BrC1=CC=C(C=C1)N=C=O ACS014092 [1,1,0,0,0,0|1,0,1]=4 141 B10R1.1 BrC1=CC=C(CC#N)C=C1 ACS013765 [1,1,0,0,0,0|1,0,1]=4 142 B10R1.1 C(CC)C1=CC=C(N)C=C1 ACS016018 [1,1,0,0,0,0|1,0,1]=4 143 B10R1.1 CC1=CC=C(C=C1)CC#N ACS017000 [1,1,0,0,0,0|1,0,1]=4 144 B10R1.1 CC1=CC=C(CCN)C=C1 ACS014043 [1,1,0,0,0,0|1,0,1]=4 145 B10R1.1 CCCc1ccc(cc1)Br ACS015037 [1,1,0,0,0,0|1,0,1]=4 146 B10R1.1 ClC1=CC=C(C=C1)CCCl ACS016872 [1,1,0,0,0,0|1,0,1]=4 147 B10R1.1 ClC1=CC=C(C=C1)CCN ACS015952 [1,1,0,0,0,0|1,0,1]=4 148 B10R1.1 ClC1=CC=C(CC#N)C=C1 ACS011778 [1,1,0,0,0,0|1,0,1]=4 149 B10R1.1 ClC1=CC=C(CCN)C=C1 ACS014036 [1,1,0,0,0,0|1,0,1]=4 150 B10R1.1 ClC1=CC=C(CCO)C=C1 ACS016869 [1,1,0,0,0,0|0,0,1]=3 151 B10R1.1 FC1=CC=C(C=C1)CCBr ACF013493 [1,1,0,0,0,0|1,0,1]=4 152 B10R1.1 FC1=CC=C(C=C1)CNN ACF021003 [1,1,0,0,0,0|2,0,0]=4 153 B10R1.1 FC1=CC=C(C=C1)CNN ACF021004 [1,1,0,0,0,0|2,0,0]=4 154 B10R1.1 FC1=CC=C(C=C1)N=C=O ACF014099 [1,1,0,0,0,0|1,0,1]=4 155 B10R1.1 FC1=CC=C(CC#N)C=C1 ACF013793 [1,1,0,0,0,0|1,0,1]=4 156 B10R1.1 FC1=CC=C(CCN)C=C1 ACF014040 [1,1,0,0,0,0|1,0,1]=4 157 B10R1.1 FC1=CC=C(CNC)C=C1 ACF015520 [1,1,0,0,0,0|2,0,0]=4 158 B10R1.1 FC=1C=CC(=NC1)CCO ACF021761 [1,1,0,0,0,0|1,0,1]=4 159 B10R1.1 IC1=CC=C(CC#N)C=C1 ACS013799 [1,1,0,0,0,0|1,0,1]=4 160 B10R1.1 NC1=CC=C(C=C1)CCO ACS013740 [1,1,0,0,0,0|0,0,1]=3 161 B10R1.1 NC1=CC=C(CCN)C=C1 ACS014034 [1,1,0,0,0,0|1,0,1]=4 162 B10R1.1 c1cc(ccc1CCO)F ACF013750 [1,1,0,0,0,0|0,0,1]=3 163 B10R1.4 BrC1=C(C=CC=C1)COC ACS014788 [1,1,0,0,0,0|2,0,0]=4 164 B10R1.4 BrC1=C(C=CC=C1)N=C=O ACS014091 [1,1,0,0,0,0|1,0,1]=4 165 B10R1.4 BrC1=C(CCO)C=CC=C1 ACS016868 [1,1,0,0,0,0|0,0,1]=3 166 B10R1.4 BrCCC1=C(C=CC=C1)Cl ACS016881 [1,1,0,0,0,0|1,0,1]=4 167 B10R1.4 CC1=C(CC#N)C=CC=C1 ACS013802 [1,1,0,0,0,0|1,0,1]=4 168 B10R1.4 ClC1=C(C=CC=C1)N=C=O ACS017014 [1,1,0,0,0,0|1,0,1]=4 169 B10R1.4 ClC1=C(C=NO)C=CC=C1 ACS016234 [1,1,0,0,0,0|1,0,1]=4 170 B10R1.4 FC1=C(C=CC=C1)CCO ACF013749 [1,1,0,0,0,0|0,0,1]=3 171 B10R1.4 FC1=C(C=CC=C1)CNN ACF021007 [1,1,0,0,0,0|2,0,0]=4 172 B10R1.4 FC1=C(C=CC=C1)N=C=O ACF017025 [1,1,0,0,0,0|1,0,1]=4 173 B10R1.4 FC1=C(C=NO)C=CC=C1 ACF017138 [1,1,0,0,0,0|1,0,1]=4 174 B10R1.4 FC1=C(CNC)C=CC=C1 ACF013851 [1,1,0,0,0,0|2,0,0]=4 175 B10R1.4 FC1=C(CNN)C=CC=C1 ACF014059 [1,1,0,0,0,0|2,0,0]=4 176 B10R1.4 FC=1C(=NC=CC1)CCO ACF021762 [1,1,0,0,0,0|1,0,1]=4 177 B10R1.4 NC1=C(C=CC=C1)CC#N ACS016953 [1,1,0,0,0,0|1,0,1]=4 178 B10R1.10 BrC=1C=C(CC#N)C=CC1 ACS013764 [1,1,0,0,0,0|1,0,1]=4 179 B10R1.10 CC=1C=C(C=CC1)CCO ACS013751 [1,1,0,0,0,0|0,0,1]=3 180 B10R1.10 CNCC=1C=C(C=CC1)O ACS023966 [1,1,0,0,0,0|2,0,0]=4 181 B10R1.10 ClC=1C=C(C=CC1)CCO ACS013738 [1,1,0,0,0,0|0,0,1]=3 182 B10R1.10 ClC=1C=C(CC#N)C=CC1 ACS013772 [1,1,0,0,0,0|1,0,1]=4 183 B10R1.10 FC=1C=C(C=CC1)CC#N ACF010607 [1,1,0,0,0,0|1,0,1]=4 184 B10R1.10 FC=1C=C(C=CC1)CCBr ACF013492 [1,1,0,0,0,0|1,0,1]=4 185 B10R1.10 FC=1C=C(C=CC1)CNN ACF021005 [1,1,0,0,0,0|2,0,0]=4 186 B10R1.10 FC=1C=C(C=CC1)CNN ACF021006 [1,1,0,0,0,0|2,0,0]=4 187 B10R1.10 FC=1C=C(C=CC1)N=C=O ACF014098 [1,1,0,0,0,0|1,0,1]=4 188 B10R1.10 FC=1C=C(CCN)C=CC1 ACF014039 [1,1,0,0,0,0|1,0,1]=4 189 B10R1.10 IC=1C=C(C=CC1)CC#N ACS016994 [1,1,0,0,0,0|1,0,1]=4 190 B10R1.10 NC=1C=C(C=CC1)CC#N ACS016954 [1,1,0,0,0,0|1,0,1]=4 191 B10R1.10 c1cc(cc(c1)F)CCO ACF016876 [1,1,0,0,0,0|0,0,1]=3 192 B10R1.15 C(C)(CC)C1=CC=CC=C1 ACS016273 [1,1,0,0,0,0|1,0,1]=4 193 B10R1.15 C(C)[C@@H](C1=CC=CC=C1)N ACS010872 [1,1,0,0,0,0|1,0,1]=4 194 B10R1.15 C1(=CC=CC=C1)C(C#C)O ACS023904 [1,1,0,0,0,0|1,0,1]=4 195 B10R1.17 BrCCOC1=CC=CC=C1 ACS010459 [1,1,0,0,0,0|1,0,1]=4 196 B10R1.17 C(C=CC1=CC=CC=C1)Cl ACS015577 [1,1,0,0,0,0|1,0,1]=4 197 B10R1.17 ClCCOC1=CC=CC=C1 ACS014772 [1,1,0,0,0,0|1,0,1]=4 198 B10R1.17 O(C1=CC=CC=C1)CCO ACS015601 [1,1,0,0,0,0|0,0,1]=3 199 B10R1.13 BrC1=CC=C(C(=N)N)C=C1 ACS012140 [0,1,0,0,1,0|2,0,0]=4 200 B10R1.13 BrC1=CC=C(C(=O)O)C=C1 ACS010527 [0,1,0,0,1,0|0,0,0]=2 201 B10R1.13 BrC1=CC=C(C(=O)[O-])C=C1 ACS013276 [0,1,0,0,1,0|0,0,1]=3 202 B10R1.13 BrC1=CC=C(C=C1)C(C)=O ACS014490 [0,1,0,0,1,0|1,0,0]=3 203 B10R1.13 BrC1=NC=C(C(=O)O)C=C1 ACS010025 [0,1,0,0,1,0|1,0,0]=3 204 B10R1.13 BrC=1C=CC(=NC1)C(=O)N ACS015156 [0,1,0,0,1,0|2,0,0]=4 205 B10R1.13 BrC=1C=CC(=NC1)C(=O)O ACS011212 [0,1,0,0,1,0|1,0,0]=3 206 B10R1.13 BrC=1C=CC(=NC1)C(C)=O ACS023983 [0,1,0,0,1,0|2,0,0]=4 207 B10R1.13 C1(=CC=C(C=C1)B(O)O)C ACS010240 [0,1,0,0,1,0|1,0,1]=4 208 B10R1.13 C=C(C)C1=CC=C(C=C1)O ACS017253 [0,1,0,0,1,0|2,0,0]=4 209 B10R1.13 CC(=O)c1ccc(cc1)I ACS015856 [0,1,0,0,1,0|1,0,0]=3 210 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 ACS013413 [0,1,0,0,1,0|1,0,0]=3 211 B10R1.13 CC1=CC=C(C(=O)N)C=C1 ACS017117 [0,1,0,0,1,0|1,0,0]=3 212 B10R1.13 CC1=CC=C(C(=O)O)C=C1 ACS013233 [0,1,0,0,1,0|0,0,0]=2 213 B10R1.13 CC1=CC=C(C=C1)C(C)=O ACS014585 [0,1,0,0,1,0|1,0,0]=3 214 B10R1.13 CC1=CC=C(C=N1)C(C)=O ACS020140 [0,1,0,0,1,0|2,0,0]=4 215 B10R1.13 CC1=NC=C(C(=O)O)C=C1 ACS010066 [0,1,0,0,1,0|1,0,0]=3 216 B10R1.13 CC1=NC=C(C=N1)C(=O)O ACS011562 [0,1,0,0,1,0|2,0,0]=4 217 B10R1.13 CC=1C=CC(=NC1)C(C)=O ACS020665 [0,1,0,0,1,0|2,0,0]=4 218 B10R1.13 CC=1N=CC(=NC1)C(=O)O ACS015376 [0,1,0,0,1,0|2,0,0]=4 219 B10R1.13 Cc1ccc(cc1)[S@](=O)N ACS011281 [0,1,0,0,1,0|2,0,0]=4 220 B10R1.13 ClC1=CC=C(C(=O)O)C=C1 ACS011185 [0,1,0,0,1,0|0,0,0]=2 221 B10R1.13 ClC1=CC=C(C(=O)[O-])C=C1 ACS013279 [0,1,0,0,1,0|0,0,1]=3 222 B10R1.13 ClC1=CC=C(C=C1)B(O)O ACS010230 [0,1,0,0,1,0|1,0,1]=4 223 B10R1.13 ClC1=CC=C(C=C1)C(C)=O ACS015812 [0,1,0,0,1,0|1,0,0]=3 224 B10R1.13 ClC1=CC=C(C=N1)C(C)=O ACS017070 [0,1,0,0,1,0|2,0,0]=4 225 B10R1.13 FC1=CC=C(C(=O)Cl)C=C1 ACF013397 [0,1,0,0,1,0|1,0,0]=3 226 B10R1.13 FC1=CC=C(C(=O)N)C=C1 ACF016752 [0,1,0,0,1,0|1,0,0]=3 227 B10R1.13 FC1=CC=C(C(=O)O)C=C1 ACF013187 [0,1,0,0,1,0|0,0,0]=2 228 B10R1.13 FC1=CC=C(C(=O)[O-])C=C1 ACF013294 [0,1,0,0,1,0|0,0,1]=3 229 B10R1.13 FC1=CC=C(C(=S)N)C=C1 ACF016757 [0,1,0,0,1,0|1,1,0]=4 230 B10R1.13 FC1=CC=C(C=C1)B(O)O ACF010236 [0,1,0,0,1,0|1,0,1]=4 231 B10R1.13 FC1=CC=C(C=C1)C(C)=O ACF014557 [0,1,0,0,1,0|1,0,0]=3 232 B10R1.13 FC1=CC=C(C=C1)C(C)O ACF013735 [0,1,0,0,1,0|1,0,1]=4 233 B10R1.13 FC1=CC=C(C=C1)[N+](=O)[O-] ACF010310 [0,1,0,0,1,0|1,0,1]=4 234 B10R1.13 FC=1C=CC(=NC1)C(=O)O ACF012292 [0,1,0,0,1,0|1,0,0]=3 235 B10R1.13 FC=1C=CC(=NC1)C(C)=O ACF021545 [0,1,0,0,1,0|2,0,0]=4 236 B10R1.13 FC=1C=NC(=NC1)C(=O)O ACF022870 [0,1,0,0,1,0|2,0,0]=4 237 B10R1.13 IC1=CC=C(C(=O)Cl)C=C1 ACS016570 [0,1,0,0,1,0|1,0,0]=3 238 B10R1.13 IC1=CC=C(C(=O)O)C=C1 ACS013219 [0,1,0,0,1,0|0,0,0]=2 239 B10R1.13 IC=1C=CC(=NC1)C(=O)O ACS017263 [0,1,0,0,1,0|1,0,0]=3 240 B10R1.13 NC1=CC=C(C(=O)O)C=C1 ACS013042 [0,1,0,0,1,0|0,0,0]=2 241 B10R1.13 NC1=CC=C(C=C1)B(O)O ACS012268 [0,1,0,0,1,0|1,0,1]=4 242 B10R1.13 NC1=CC=C(C=C1)B(O)O ACS019700 [0,1,0,0,1,0|1,0,1]=4 243 B10R1.13 NC1=CC=C(C=C1)C(C)=O ACS010475 [0,1,0,0,1,0|1,0,0]=3 244 B10R1.13 NC1=NC=C(C(=O)O)C=C1 ACS023894 [0,1,0,0,1,0|1,0,0]=3 245 B10R1.13 NC=1C=CC(=NC1)C(C)=O ACS019580 [0,1,0,0,1,0|2,0,0]=4 246 B10R1.13 OC1=CC=C(C(=O)O)C=C1 ACS013211 [0,1,0,0,1,0|0,0,0]=2 247 B10R1.13 OC1=CC=C(C(N)=S)C=C1 ACS014085 [0,1,0,0,1,0|1,1,0]=4 248 B10R1.13 OC1=CC=C(C=C1)C(C)=O ACS010478 [0,1,0,0,1,0|1,0,0]=3 249 B10R1.13 OC1=CC=C(C=N1)C(=O)O ACS015219 [0,1,0,0,1,0|1,0,0]=3 250 B10R1.13 SC1=CC=C(C=C1)B(O)O ACS010239 [0,1,0,0,1,0|1,0,1]=4 251 B10R1.13 [N+](=O)([O-])C1=CC=C(C)C=C1 ACS014994 [0,1,0,0,1,0|1,0,1]=4 252 B10R1.13 [N+](=O)([O-])C1=CC=C(C=C1)O ACS014457 [0,1,0,0,1,0|1,0,1]=4 253 B10R1.13 c1cc(ccc1[N+](=O)[O-])Br ACS015072 [0,1,0,0,1,0|1,0,1]=4 254 B10R1.13 c1cc(ccc1[N+](=O)[O-])Cl ACS015085 [0,1,0,0,1,0|1,0,1]=4 255 B10R1.13 c1cc(ccc1[N+](=O)[O-])I ACS016335 [0,1,0,0,1,0|1,0,1]=4 256 B10R1.28 C1(=CC=CC=C1)P(=O)(Cl)Cl ACS010930 [0,1,0,0,1,0|2,0,0]=4 257 B10R1.28 C1(=CC=CC=C1)S(=O)(=O)C ACS017202 [0,1,0,0,1,0|1,0,1]=4 258 B10R1.28 N1=CC(=CC=C1)S(=O)(=O)O ACS015248 [0,1,0,0,1,0|2,0,0]=4 259 B10R1.61 BrC1=C(C(=O)O)C=CC=C1 ACS010526 [0,1,0,0,1,0|0,0,0]=2 260 B10R1.61 BrC1=C(C=CC=C1)C(C)=O ACS015795 [0,1,0,0,1,0|1,0,0]=3 261 B10R1.61 BrC1=NC=CC=C1C(=O)O ACS010747 [0,1,0,0,1,0|1,0,0]=3 262 B10R1.61 BrC=1C(=NC=CC1)C(=O)O ACS015157 [0,1,0,0,1,0|1,0,0]=3 263 B10R1.61 BrC=1C(=NC=CN1)C(=O)O ACS017607 [0,1,0,0,1,0|2,0,0]=4 264 B10R1.61 BrC=1C(=NC=NC1)C(=O)O ACS023876 [0,1,0,0,1,0|2,0,0]=4 265 B10R1.61 BrC=1C=NC=CC1C(=O)O ACS011579 [0,1,0,0,1,0|1,0,0]=3 266 B10R1.61 C(C)(=O)C=1C(NC=CC1)=O ACS020685 [0,1,0,0,1,0|2,0,0]=4 267 B10R1.61 C=1(C(=CC=CC1)C(=O)O)C ACS011698 [0,1,0,0,1,0|0,0,0]=2 268 B10R1.61 CC1=C(C(=O)O)C=CC=N1 ACS010343 [0,1,0,0,1,0|1,0,0]=3 269 B10R1.61 CC1=CC=NC=C1C(=O)O ACS019313 [0,1,0,0,1,0|1,0,0]=3 270 B10R1.61 ClC1=C(C(=O)Cl)C=CC=C1 ACS013377 [0,1,0,0,1,0|1,0,0]=3 271 B10R1.61 ClC1=C(C(=O)O)C=CC=C1 ACS013118 [0,1,0,0,1,0|0,0,0]=2 272 B10R1.61 ClC1=C(C(=O)[O-])C=CC=C1 ACS013277 [0,1,0,0,1,0|0,0,1]=3 273 B10R1.61 ClC1=C(C=CC=C1)C(C)=O ACS014514 [0,1,0,0,1,0|1,0,0]=3 274 B10R1.61 ClC1=C(C=CC=C1)[C@@H](C)O ACS010565 [0,1,0,0,1,0|1,0,1]=4 275 B10R1.61 ClC1=NC=CC=C1C(=O)O ACS015174 [0,1,0,0,1,0|1,0,0]=3 276 B10R1.61 ClC1=NC=CC=C1C(C)=O ACS011631 [0,1,0,0,1,0|2,0,0]=4 277 B10R1.61 ClC=1C(=NC=CC1)C(C)=O ACS020326 [0,1,0,0,1,0|2,0,0]=4 278 B10R1.61 FC1=C(C(=O)Cl)C=CC=C1 ACF013395 [0,1,0,0,1,0|1,0,0]=3 279 B10R1.61 FC1=C(C(=O)O)C=CC=C1 ACF013185 [0,1,0,0,1,0|0,0,0]=2 280 B10R1.61 FC1=C(C(=O)[O-])C=CC=C1 ACF013292 [0,1,0,0,1,0|0,0,1]=3 281 B10R1.61 FC1=C(C=CC=C1)C(C)=O ACF014555 [0,1,0,0,1,0|1,0,0]=3 282 B10R1.61 FC1=C(C=CC=C1)[N+](=O)[O-] ACF012565 [0,1,0,0,1,0|1,0,1]=4 283 B10R1.61 FC1=C(C=NC=C1)C(=O)O ACF011334 [0,1,0,0,1,0|1,0,0]=3 284 B10R1.61 FC=1C(=NC=CC1)C(=O)O ACF010756 [0,1,0,0,1,0|1,0,0]=3 285 B10R1.61 FC=1C(=NC=CC1)C(C)=O ACF021098 [0,1,0,0,1,0|2,0,0]=4 286 B10R1.61 FC=1C(=NC=CN1)C(=O)O ACF023345 [0,1,0,0,1,0|2,0,0]=4 287 B10R1.61 FC=1C(=NC=NC1)C(=O)O ACF022265 [0,1,0,0,1,0|2,0,0]=4 288 B10R1.61 FC=1C=NC=CC1C(=O)O ACF021097 [0,1,0,0,1,0|1,0,0]=3 289 B10R1.61 FC=1C=NC=CC1C(C)=O ACF019571 [0,1,0,0,1,0|2,0,0]=4 290 B10R1.61 IC1=C(C(=O)O)C=CC=C1 ACS010558 [0,1,0,0,1,0|0,0,0]=2 291 B10R1.61 IC1=C(C(=O)O)C=CC=N1 ACS020167 [0,1,0,0,1,0|1,0,0]=3 292 B10R1.61 IC1=C(C=CC=C1)B(O)O ACS020106 [0,1,0,0,1,0|1,0,1]=4 293 B10R1.61 IC1=CC=NC=C1C(=O)O ACS018989 [0,1,0,0,1,0|1,0,0]=3 294 B10R1.61 NC1=C(C(=O)O)C=CC=C1 ACS013040 [0,1,0,0,1,0|0,0,0]=2 295 B10R1.61 NC1=C(C(=O)O)C=CC=N1 ACS010065 [0,1,0,0,1,0|1,0,0]=3 296 B10R1.61 NC=1C(=NC=CC1)C(=O)O ACS010257 [0,1,0,0,1,0|1,0,0]=3 297 B10R1.61 NC=1C(=NC=CN1)C(=O)O ACS015308 [0,1,0,0,1,0|2,0,0]=4 298 B10R1.61 NC=1C=NC=CC1C(=O)O ACS010337 [0,1,0,0,1,0|1,0,0]=3 299 B10R1.61 OC1=C(C(=O)O)C=CC=C1 ACS013209 [0,1,0,0,1,0|0,0,0]=2 300 B10R1.61 OC1=C(C(=O)O)C=CC=N1 ACS010374 [0,1,0,0,1,0|1,0,0]=3 301 B10R1.61 OC1=C(C=CC=C1)C(C)=O ACS014575 [0,1,0,0,1,0|1,0,0]=3 302 B10R1.61 OC=1C(=NC=CN1)C(=O)O ACS011175 [0,1,0,0,1,0|2,0,0]=4 303 B10R1.61 OC=1C=NC=CC1C(=O)O ACS011793 [0,1,0,0,1,0|1,0,0]=3 304 B10R1.61 SC1=C(C(=O)O)C=CC=C1 ACS013223 [0,1,0,0,1,0|0,0,0]=2 305 B10R1.61 [N+](=O)([O-])C1=C(C)C=CC=C1 ACS014993 [0,1,0,0,1,0|1,0,1]=4 306 B10R1.61 [N+](=O)([O-])C1=C(C=CC=C1)O ACS014455 [0,1,0,0,1,0|1,0,1]=4 307 B10R1.61 [N+](=O)([O-])C1=C(N)C=CC=C1 ACS024387 [0,1,0,0,1,0|1,0,1]=4 308 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Cl ACS015084 [0,1,0,0,1,0|1,0,1]=4 309 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])F ACF015101 [0,1,0,0,1,0|1,0,1]=4 310 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])I ACS015103 [0,1,0,0,1,0|1,0,1]=4 311 B10R1.113 BrC1=CC(=CC=C1)[N+](=O)[O-] ACS010542 [0,1,0,0,1,0|1,0,1]=4 312 B10R1.113 BrC1=CC=CC(=N1)C(=O)O ACS010338 [0,1,0,0,1,0|1,0,0]=3 313 B10R1.113 BrC1=CN=CC(=N1)C(=O)O ACS017409 [0,1,0,0,1,0|2,0,0]=4 314 B10R1.113 BrC1=NC=CC(=C1)C(=O)O ACS011211 [0,1,0,0,1,0|1,0,0]=3 315 B10R1.113 BrC1=NC=CC(=N1)C(=O)O ACS020340 [0,1,0,0,1,0|2,0,0]=4 316 B10R1.113 BrC=1C=C(C(=N)N)C=CC1 ACS012142 [0,1,0,0,1,0|2,0,0]=4 317 B10R1.113 BrC=1C=C(C(=O)Cl)C=CC1 ACS013372 [0,1,0,0,1,0|1,0,0]=3 318 B10R1.113 BrC=1C=C(C(=O)O)C=CC1 ACS013074 [0,1,0,0,1,0|0,0,0]=2 319 B10R1.113 BrC=1C=C(C=CC1)C(C)=O ACS014489 [0,1,0,0,1,0|1,0,0]=3 320 B10R1.113 BrC=1C=C(C=CC1)C(C)O ACS013730 [0,1,0,0,1,0|1,0,1]=4 321 B10R1.113 C(C1=C[N+](=CC=C1)[O-])(=O)O ACS024520 [0,1,0,0,1,0|1,0,0]=3 322 B10R1.113 CC1=CC(=NC=C1)C(=O)O ACS015236 [0,1,0,0,1,0|1,0,0]=3 323 B10R1.113 CC1=CC=CC(=N1)C(=O)O ACS011491 [0,1,0,0,1,0|1,0,0]=3 324 B10R1.113 CC=1C=C(C(=O)Cl)C=CC1 ACS011701 [0,1,0,0,1,0|1,0,0]=3 325 B10R1.113 CC=1C=C(C(=O)O)C=CC1 ACS013232 [0,1,0,0,1,0|0,0,0]=2 326 B10R1.113 CC=1C=C(C(=S)O)C=CC1 ACS016592 [0,1,0,0,1,0|0,1,0]=3 327 B10R1.113 CC=1C=C(C=CC1)C(C)=O ACS015860 [0,1,0,0,1,0|1,0,0]=3 328 B10R1.113 ClC1=CC(=NC=C1)C(=O)N ACS011217 [0,1,0,0,1,0|2,0,0]=4 329 B10R1.113 ClC1=CC(=NC=C1)C(C)=O ACS017549 [0,1,0,0,1,0|2,0,0]=4 330 B10R1.113 ClC1=CN=CC(=N1)C(=O)O ACS011788 [0,1,0,0,1,0|2,0,0]=4 331 B10R1.113 ClC1=NC(=CC=C1)C(=O)O ACS011216 [0,1,0,0,1,0|1,0,0]=3 332 B10R1.113 ClC1=NC=CC(=N1)C(=O)O ACS012020 [0,1,0,0,1,0|2,0,0]=4 333 B10R1.113 ClC=1C=C(C(=O)Cl)C=CC1 ACS013378 [0,1,0,0,1,0|1,0,0]=3 334 B10R1.113 ClC=1C=C(C(=O)O)C=CC1 ACS011186 [0,1,0,0,1,0|0,0,0]=2 335 B10R1.113 ClC=1C=C(C(=O)[O-])C=CC1 ACS013278 [0,1,0,0,1,0|0,0,1]=3 336 B10R1.113 ClC=1C=C(C=CC1)C(C)=O ACS014515 [0,1,0,0,1,0|1,0,0]=3 337 B10R1.113 FC1=CC(=NC=C1)C(=O)O ACF023254 [0,1,0,0,1,0|1,0,0]=3 338 B10R1.113 FC1=CC=CC(=N1)C(=O)O ACF011578 [0,1,0,0,1,0|1,0,0]=3 339 B10R1.113 FC1=NC=CC(=C1)C(=O)O ACF010498 [0,1,0,0,1,0|1,0,0]=3 340 B10R1.113 FC=1C=C(C(=O)Cl)C=CC1 ACF013396 [0,1,0,0,1,0|1,0,0]=3 341 B10R1.113 FC=1C=C(C(=O)O)C=CC1 ACF013186 [0,1,0,0,1,0|0,0,0]=2 342 B10R1.113 FC=1C=C(C(=O)[O-])C=CC1 ACF013293 [0,1,0,0,1,0|0,0,1]=3 343 B10R1.113 FC=1C=C(C=CC1)B(O)O ACF015587 [0,1,0,0,1,0|1,0,1]=4 344 B10R1.113 FC=1C=C(C=CC1)C(C)=O ACF014556 [0,1,0,0,1,0|1,0,0]=3 345 B10R1.113 FC=1C=C(C=CC1)C(C)O ACF016875 [0,1,0,0,1,0|1,0,1]=4 346 B10R1.113 FC=1C=C(C=NC1)C(=O)O ACF023343 [0,1,0,0,1,0|1,0,0]=3 347 B10R1.113 FC=1C=C(C=NC1)C(C)=O ACF020117 [0,1,0,0,1,0|2,0,0]=4 348 B10R1.113 IC1=CC(=NC=C1)C(=O)O ACS017331 [0,1,0,0,1,0|1,0,0]=3 349 B10R1.113 IC=1C=C(C=CC1)C(C)=O ACS014579 [0,1,0,0,1,0|1,0,0]=3 350 B10R1.113 NC1=NC=CC(=C1)C(=O)O ACS015139 [0,1,0,0,1,0|1,0,0]=3 351 B10R1.113 NC=1C=C(C(=O)O)C=CC1 ACS013041 [0,1,0,0,1,0|0,0,0]=2 352 B10R1.113 NC=1C=C(C=CC1)B(O)O ACS011956 [0,1,0,0,1,0|1,0,1]=4 353 B10R1.113 NC=1C=C(C=CC1)C(C)=O ACS014483 [0,1,0,0,1,0|1,0,0]=3 354 B10R1.113 O=C1N=CC=C(N1)C(=O)O ACS020336 [0,1,0,0,1,0|2,0,0]=4 355 B10R1.113 OC=1C=C(C(=O)O)C=CC1 ACS013210 [0,1,0,0,1,0|0,0,0]=2 356 B10R1.113 OC=1C=C(C=CC1)C(C)=O ACS014576 [0,1,0,0,1,0|1,0,0]=3 357 B10R1.113 OC=1C=C(C=NC1)C(=O)O ACS015218 [0,1,0,0,1,0|1,0,0]=3 358 B10R1.113 SC=1C=C(C(=O)O)C=CC1 ACS010814 [0,1,0,0,1,0|0,0,0]=2 359 B10R1.113 [N+](=O)([O-])C=1C=C(C=CC1)O ACS014456 [0,1,0,0,1,0|1,0,1]=4 360 B10R1.113 [N+](=O)([O-])C=1C=C(N)C=CC1 ACS013990 [0,1,0,0,1,0|1,0,1]=4 361 B10R1.113 c1cc(cc(c1)I)[N+](=O)[O-] ACS015104 [0,1,0,0,1,0|1,0,1]=4 362 B10R1.64 CN1C(=CC=C1)CC(=O)O ACS011669 [0,1,0,0,1,0|1,0,0]=3 363 B12R1.21 CC1=CC=C(C=CC(=O)O)C=C1 ACS013033 [0,1,0,0,0,1|0,0,1]=3 364 B12R1.21 ClC1=CC=C(C=C1)C=CC(C)=O ACS014642 [0,1,0,0,0,1|1,0,1]=4 365 B12R1.21 FC1=CC=C(C=C1)SCC(=O)O ACF015588 [0,1,0,0,0,1|0,0,0]=2 366 B12R1.21 NC1=CC=C(C=CC(=O)O)C=C1 ACS013020 [0,1,0,0,0,1|0,0,1]=3 367 B12R1.21 OC1=CC=C(C=C1)CCC(C)=O ACS011998 [0,1,0,0,0,1|1,0,0]=3 368 B12R1.27 BrCC(=O)OCC1=CC=CC=C1 ACS011041 [0,1,0,0,0,1|1,0,0]=3 369 B12R1.27 C(C1=CC=CC=C1)NC(CCl)=O ACS014089 [0,1,0,0,0,1|1,0,0]=3 370 B12R1.43 C1(=CC=CC=C1)NC(C(=O)O)C ACS011814 [0,1,0,0,0,1|0,0,0]=2 371 B12R1.43 NC(CC1=CC=CC=C1)B(O)O ACS019379 [0,1,0,0,0,1|1,0,1]=4 372 B12R1.43 N[C@@H](CC1=CC=CC=C1)B(O)O ACS019412 [0,1,0,0,0,1|1,0,1]=4 373 B12R1.43 N[C@@H](CC1=CC=CC=C1)B(O)O ACS019413 [0,1,0,0,0,1|1,0,1]=4 374 B12R1.43 c1cnccc1C[C@@H](C(=O)O)N ACS011731 [0,1,0,0,0,1|1,0,0]=3 375 B12R1.125 BrC1=C(C=CC=C1)CCC(=O)O ACS017007 [0,1,0,0,0,1|0,0,0]=2 376 B12R1.226 BrC=1C=C(C=CC(=O)O)C=CC1 ACS017119 [0,1,0,0,0,1|0,0,1]=3 377 B12R1.226 CC=1C=C(OCC(=O)O)C=CC1 ACS024417 [0,1,0,0,0,1|0,0,0]=2 378 B12R1.226 ClC=1C=C(C=CC(=O)O)C=CC1 ACS013023 [0,1,0,0,0,1|0,0,1]=3 379 B12R1.226 FC=1C=C(C=CC(=O)O)C=CC1 ACF013032 [0,1,0,0,0,1|0,0,1]=3 380 B12R1.226 c1cc(cc(c1)Cl)CCC(=O)O ACS013010 [0,1,0,0,0,1|0,0,0]=2 381 B12R1.226 c1cc(cc(c1)F)CCC(=O)O ACF013015 [0,1,0,0,0,1|0,0,0]=2 382 B12R1.4 BrCC1=CC=C(C=C1)CC(=O)O ACS012927 [0,2,0,0,0,0|0,0,0]=2 383 B12R1.4 C(#N)C1=CC=C(C=C1)CC(=O)O ACS011936 [0,2,0,0,0,0|0,0,0]=2 384 B12R1.4 C(=O)C1=CC=C(C=C1)OC(C)=O ACS012683 [0,2,0,0,0,0|2,0,0]=4 385 B12R1.4 C(C)C1=CC=C(C=C1)CC(C)=O ACS011943 [0,2,0,0,0,0|1,0,0]=3 386 B12R1.4 COC1=CC=C(C=C1)OC(=O)Cl ACS012693 [0,2,0,0,0,0|2,0,0]=4 387 B12R1.4 NCC1=CC=C(C=C1)CC(=O)O ACS012901 [0,2,0,0,0,0|0,0,0]=2 388 B12R1.4 NCC1=CC=C(C=C1)CC(=O)O ACS012902 [0,2,0,0,0,0|0,0,0]=2 389 B12R1.19 BrC1=C(C=C(C=C1)CC(=O)O)C ACS012926 [0,2,0,0,0,0|0,0,0]=2 390 B12R1.19 BrC1=C(C=C(C=C1)CC(=O)O)F ACF012918 [0,2,0,0,0,0|0,0,0]=2 391 B12R1.19 BrC=1C=C(C=CC1F)CC(=O)O ACF012917 [0,2,0,0,0,0|0,0,0]=2 392 B12R1.19 BrC=1C=C(C=CC1O)CC(=O)O ACS012920 [0,2,0,0,0,0|0,0,0]=2 393 B12R1.19 C(C)(=O)OC1=CC(=C(C=C1)F)N ACF016044 [0,2,0,0,0,0|2,0,0]=4 394 B12R1.19 CC=1C=C(C=CC1C)CC(=O)O ACS012245 [0,2,0,0,0,0|0,0,0]=2 395 B12R1.19 ClC1=C(C=C(C=C1)CC(=O)O)F ACF010626 [0,2,0,0,0,0|0,0,0]=2 396 B12R1.19 ClC1=C(C=C(C=C1)OC(C)=O)C ACS012681 [0,2,0,0,0,0|2,0,0]=4 397 B12R1.19 ClC=1C=C(C=CC1Cl)CC(=O)O ACS012947 [0,2,0,0,0,0|0,0,0]=2 398 B12R1.19 ClC=1C=C(C=CC1F)CC(=O)O ACF010621 [0,2,0,0,0,0|0,0,0]=2 399 B12R1.19 FC=1C=C(C=CC1F)CC(=O)O ACF012951 [0,2,0,0,0,0|0,0,0]=2 400 B12R1.19 FC=1C=C(C=CC1O)CC(=O)O ACF012957 [0,2,0,0,0,0|0,0,0]=2 401 B12R1.20 BrC(C(=O)O)C1=CC=C(C=C1)Cl ACS012910 [0,2,0,0,0,0|0,0,0]=2 402 B12R1.20 ClC1=CC=C(C=C1)C(C(=O)O)O ACS012941 [0,2,0,0,0,0|0,0,0]=2 403 B12R1.20 FC1=CC=C([C@@H](N)C(=O)O)C=C1 ACF010859 [0,2,0,0,0,0|0,0,0]=2 404 B12R1.20 OC(C(=O)O)C1=CC=C(C=C1)C ACS015778 [0,2,0,0,0,0|0,0,0]=2 405 B12R1.20 OC1=CC=C([C@H](N)C(=O)O)C=C1 ACS011602 [0,2,0,0,0,0|0,0,0]=2 406 B12R1.49 CC1=CC=C(C=C1)CC(=O)OC ACS012875 [0,2,0,0,0,0|0,0,0]=2 407 B12R1.49 ClC1=CC=C(C=C1)CC(=O)OC ACS012822 [0,2,0,0,0,0|0,0,0]=2 408 B12R1.49 OC1=CC=C(C=C1)CC(=O)OC ACS016992 [0,2,0,0,0,0|0,0,0]=2 409 B12R1.106 CC1=CC=C(CS(=O)(=O)Cl)C=C1 ACS010819 [0,2,0,0,0,0|1,0,1]=4 410 B12R1.233 BrC1=C(C=CC(=C1)Cl)CC(=O)O ACS012911 [0,2,0,0,0,0|0,0,0]=2 411 B12R1.233 BrC1=CC(=C(C=C1)CC(=O)O)Cl ACS012913 [0,2,0,0,0,0|0,0,0]=2 412 B12R1.233 BrC1=CC(=C(C=C1)CC(=O)O)F ACF011588 [0,2,0,0,0,0|0,0,0]=2 413 B12R1.233 BrC1=CC(=C(NC(C)=O)C=C1)F ACF016021 [0,2,0,0,0,0|2,0,0]=4 414 B12R1.233 CC(=O)Nc1ccc(cc1Cl)F ACF014017 [0,2,0,0,0,0|2,0,0]=4 415 B12R1.233 CC(=O)Nc1ccc(cc1F)Cl ACF014018 [0,2,0,0,0,0|2,0,0]=4 416 B12R1.233 ClC1=C(C=CC(=C1)F)CC(=O)O ACF012932 [0,2,0,0,0,0|0,0,0]=2 417 B12R1.233 ClC1=CC(=C(C=C1)CC(=O)O)F ACF012936 [0,2,0,0,0,0|0,0,0]=2 418 B12R1.233 FC1=C(C=CC(=C1)C)CC(=O)O ACF012586 [0,2,0,0,0,0|0,0,0]=2 419 B12R1.233 FC1=C(C=CC(=C1)F)CC(=O)O ACF012949 [0,2,0,0,0,0|0,0,0]=2 420 B12R1.233 FC1=C(C=CC(=C1)F)CC(N)=N ACF022185 [0,2,0,0,0,0|2,0,0]=4 421 B12R1.233 FC=1C(=NC=C(C1)F)CC(=O)O ACF021510 [0,2,0,0,0,0|1,0,0]=3 422 B12R1.34 C(C1=CC=CC=C1)(=O)C(=O)OC ACS011953 [0,2,0,0,0,0|0,0,1]=3 423 B12R1.34 COC(=O)[C@@H](c1ccccc1)O ACS011328 [0,2,0,0,0,0|0,0,0]=2 424 B12R1.34 NC(C(=O)OC)C1=CC=CC=C1 ACS015593 [0,2,0,0,0,0|0,0,0]=2 425 B12R1.34 c1ccc(cc1)[C@H]([C@H](CO)N)O ACS010927 [0,2,0,0,0,0|1,0,1]=4 426 B12R1.124 BrC(C(=O)O)C1=C(C=CC=C1)Cl ACS012076 [0,2,0,0,0,0|0,0,0]=2 427 B12R1.124 N[C@H](C(=O)O)C1=C(C=CC=C1)Cl ACS010832 [0,2,0,0,0,0|0,0,0]=2 428 B12R1.225 C1(=CC(=CC=C1)C(C(=O)O)C)C ACS019565 [0,2,0,0,0,0|0,0,0]=2 429 B12R1.225 NC(C(=O)O)C1=CC(=CC=C1)Cl ACS012900 [0,2,0,0,0,0|0,0,0]=2 430 B12R1.253 CC(c1ccccc1)(C(=O)O)O ACS010926 [0,2,0,0,0,0|0,0,0]=2 431 B12R1.253 FC(C(=O)O)(C1=CC=NC=C1)F ACF021617 [0,2,0,0,0,0|1,0,0]=3 432 B12R1.253 FC(C(=O)O)(C1=NC=CC=C1)F ACF021134 [0,2,0,0,0,0|1,0,0]=3 433 B12R1.32 C(#N)CC(=O)NC1=CC=CC=C1 ACS013817 [0,2,0,0,0,0|2,0,0]=4 434 B12R1.32 N1=C(C=CC=C1)CC(=O)OCC ACS015216 [0,2,0,0,0,0|1,0,0]=3 435 B12R1.50 BrC=1C=C(C=CC1)CC(=O)OC ACS012805 [0,2,0,0,0,0|0,0,0]=2 436 B12R1.50 COC(CC1=CC(=CC=C1)N)=O ACS016955 [0,2,0,0,0,0|0,0,0]=2 437 B12R1.50 Cc1cccc(c1)CC(=O)OC ACS016999 [0,2,0,0,0,0|0,0,0]=2 438 B12R1.50 FC=1C=C(C=CC1)CC(=O)OC ACF016984 [0,2,0,0,0,0|0,0,0]=2 439 B12R1.50 IC=1C=C(C=CC1)CC(=O)OC ACS012866 [0,2,0,0,0,0|0,0,0]=2 440 B12R1.50 NC=1C=C(C=CC1)CC(=O)OC ACS012773 [0,2,0,0,0,0|0,0,0]=2 441 B12R1.75 C(#N)C1=C(C=CC=C1)CC(=O)O ACS016974 [0,2,0,0,0,0|0,0,0]=2 442 B12R1.75 C(C)(=O)OC1=C(C=CC=C1)OC ACS012520 [0,2,0,0,0,0|2,0,0]=4 443 B12R1.75 COC1=C(C=CC=C1)OC(C)=O ACS012684 [0,2,0,0,0,0|2,0,0]=4 444 B12R1.75 ClCC1=C(C=CC=C1)CC(=O)O ACS012938 [0,2,0,0,0,0|0,0,0]=2 445 B12R1.127 BrC1=C(C=C(C=C1)Br)CC(=O)O ACS012091 [0,2,0,0,0,0|0,0,0]=2 446 B12R1.127 BrC1=C(C=C(C=C1)Cl)CC(=O)O ACS012912 [0,2,0,0,0,0|0,0,0]=2 447 B12R1.127 BrC1=C(C=C(C=C1)F)CC(=O)O ACF012916 [0,2,0,0,0,0|0,0,0]=2 448 B12R1.127 BrC=1C=CC(=C(C1)CC(=O)O)Cl ACS012914 [0,2,0,0,0,0|0,0,0]=2 449 B12R1.127 BrC=1C=CC(=C(C1)CC(=O)O)F ACF012919 [0,2,0,0,0,0|0,0,0]=2 450 B12R1.127 BrC=1C=CC(=C(C1)CC(=O)O)O ACS012921 [0,2,0,0,0,0|0,0,0]=2 451 B12R1.127 CC1=C(C=C(C=C1)C)CC(=O)O ACS012955 [0,2,0,0,0,0|0,0,0]=2 452 B12R1.127 ClC1=C(C=C(C=C1)Cl)CC(=O)O ACS012946 [0,2,0,0,0,0|0,0,0]=2 453 B12R1.127 ClC1=C(C=C(C=C1)F)CC(=O)O ACF012933 [0,2,0,0,0,0|0,0,0]=2 454 B12R1.127 ClC=1C=CC(=C(C1)CC(=O)O)F ACF012937 [0,2,0,0,0,0|0,0,0]=2 455 B12R1.127 FC1=C(C=C(C=C1)C)CC(=O)O ACF012962 [0,2,0,0,0,0|0,0,0]=2 456 B12R1.127 FC1=C(C=C(C=C1)F)CC(=O)O ACF016979 [0,2,0,0,0,0|0,0,0]=2 457 B12R1.127 FC=1C=CC(=C(C1)CC(=O)O)C ACF012964 [0,2,0,0,0,0|0,0,0]=2 458 B12R1.224 CC1=C(C=CC=C1C)CC(=O)O ACS010344 [0,2,0,0,0,0|0,0,0]=2 459 B12R1.224 ClC1=C(C=CC=C1C)NC(C)=O ACS014019 [0,2,0,0,0,0|2,0,0]=4 460 B12R1.1009 Cc1cccc(c1NC(=O)C)C ACS014022 [0,2,0,0,0,0|2,0,0]=4 461 B12R1.1009 ClC1=C(C(=CC=C1)Cl)CC(=O)O ACS010629 [0,2,0,0,0,0|0,0,0]=2 462 B12R1.1009 ClC1=C(C(=CC=C1)F)CC(=O)O ACF012934 [0,2,0,0,0,0|0,0,0]=2 463 B12R1.1009 FC1=C(C(=CC=C1)F)CC(=O)O ACF012950 [0,2,0,0,0,0|0,0,0]=2 464 B12R1.101 BrC=1C=C(C=C(C1)Br)CC(=O)O ACS012945 [0,2,0,0,0,0|0,0,0]=2 465 B12R1.101 C(C)(=O)OC1=CC(=CC(=C1)Br)Br ACS016978 [0,2,0,0,0,0|2,0,0]=4 466 B12R1.101 CC=1C=C(C=C(C1)C)CC(=O)O ACS016981 [0,2,0,0,0,0|0,0,0]=2 467 B12R1.101 ClC=1C=C(C=C(C1)Cl)CC(=O)O ACS012948 [0,2,0,0,0,0|0,0,0]=2 468 B12R1.101 ClC=1C=C(C=C(C1)F)CC(=O)O ACF012935 [0,2,0,0,0,0|0,0,0]=2 469 B12R1.101 FC=1C=C(C=C(C1)C)CC(=O)O ACF012963 [0,2,0,0,0,0|0,0,0]=2 470 B12R1.101 FC=1C=C(C=C(C1)F)CC(=O)O ACF012952 [0,2,0,0,0,0|0,0,0]=2 471 B12R1.101 c1c(cc(cc1F)Br)CC(=O)O ACF016959 [0,2,0,0,0,0|0,0,0]=2 472 B12R1.438 C(=O)C=1C=C(C=CC1)CC(=O)O ACS019449 [0,2,0,0,0,0|0,0,0]=2 473 B12R1.438 COC=1C=C(C=CC1)CC(=O)O ACS012982 [0,2,0,0,0,0|0,0,0]=2 474 B12R1.438 COC=1C=C(C=CC1)CC(C)=O ACS015876 [0,2,0,0,0,0|1,0,0]=3 475 B10R1.66 O1C(=CC=C1)C=CC(=O)O ACS015361 [0,0,1,1,0,0|1,0,1]=4 476 B10R1.66 O1C(=CC=C1)CCC(=O)O ACS015358 [0,0,1,1,0,0|1,0,1]=4 477 B10R2.6 C1[C@@H](C2=CC=CC=C2)O1 ACS010849 [1,0,0,1,0,0|0,0,1]=3 478 B10R2.7 C1C=CC2=CC=CC=C12 ACS011977 [1,0,0,1,0,0|1,0,0]=3 479 B10R2.7 C1NCC2=CC=CC=C12 ACS019153 [1,0,0,1,0,0|2,0,0]=4 480 B10R2.7 C1OC2=C(C=CC=C2)O1 ACS010362 [1,0,0,1,0,0|1,0,1]=4 481 B10R2.7 N1=CNC2=C1C=CC=C2 ACS015425 [1,0,0,1,0,0|2,0,0]=4 482 B10R2.7 N1C=CC2=CC=CC=C12 ACS015484 [1,0,0,1,0,0|1,0,1]=4 483 B10R2.7 N1CCC2=CC=CC=C12 ACS011043 [1,0,0,1,0,0|1,0,1]=4 484 B10R2.7 S1C2=C(C=C1)C=CC=C2 ACS011575 [1,0,0,1,0,0|0,1,1]=4 485 B12R2.24 C1=C(C=CC2=CC=CC=C12)O ACS015497 [0,0,0,1,0,1|1,0,1]=4 486 B12R2.24 O1C2=C(NC(C1)=O)N=CC=C2 ACS023946 [0,0,0,1,0,1|2,0,0]=4 487 B12R2.24 O1CC(NC2=C1C=CC=C2)=O ACS011909 [0,0,0,1,0,1|1,0,0]=3 488 B12R2.24 c1ccc2c(c1)CCC(=O)O2 ACS015483 [0,0,0,1,0,1|0,0,0]=2 489 B12R2.606 BrC1=CC2=C(N=C(O2)N)C=C1 ACS020078 [0,1,0,1,0,0|2,0,0]=4 490 B12R2.606 BrC1=CC=C2CC(NC2=C1)=O ACS011028 [0,1,0,1,0,0|1,0,0]=3 491 B12R2.606 BrC=1C=C2CC(CC2=CC1)=O ACS020906 [0,1,0,1,0,0|1,0,0]=3 492 B12R2.606 BrC=1C=C2CC(CC2=CC1)O ACS020814 [0,1,0,1,0,0|1,0,1]=4 493 B12R2.606 BrC=1C=CC2=C(C=C(O2)C)C1 ACS017677 [0,1,0,1,0,0|1,0,1]=4 494 B12R2.606 BrC=1C=CC2=C(N=C(O2)C)C1 ACS019224 [0,1,0,1,0,0|2,0,0]=4 495 B12R2.606 BrC=1C=CC2=C(N=C(O2)N)C1 ACS017380 [0,1,0,1,0,0|2,0,0]=4 496 B12R2.606 BrC=1C=CC2=C(NC(O2)=O)C1 ACS020350 [0,1,0,1,0,0|1,0,0]=3 497 B12R2.606 CC=1OC2=C(N1)C=C(C=C2)Cl ACS011165 [0,1,0,1,0,0|2,0,0]=4 498 B12R2.606 CC=1OC2=C(N1)C=C(C=C2)O ACS019506 [0,1,0,1,0,0|2,0,0]=4 499 B12R2.606 CC=1OC2=C(N1)C=CC(=C2)O ACS020503 [0,1,0,1,0,0|2,0,0]=4 500 B12R2.606 ClC1=CC2=C(N=C(O2)C)C=C1 ACS019238 [0,1,0,1,0,0|2,0,0]=4 501 B12R2.606 ClC=1OC2=C(N1)C=CC(=C2)F ACF023639 [0,1,0,1,0,0|2,0,0]=4 502 B12R2.606 FC1=CC2=C(N=C(O2)N)C=C1 ACF022696 [0,1,0,1,0,0|2,0,0]=4 503 B12R2.606 FC1=CC=C2C(=N1)NC(C2)=O ACF021926 [0,1,0,1,0,0|2,0,0]=4 504 B12R2.606 FC1=CC=C2CC(NC2=C1)=O ACF010212 [0,1,0,1,0,0|1,0,0]=3 505 B12R2.606 FC=1C=C2C(=NC1)NC(C2)=O ACF021143 [0,1,0,1,0,0|2,0,0]=4 506 B12R2.606 FC=1C=C2CC(NC2=CC1)=O ACF010211 [0,1,0,1,0,0|1,0,0]=3 507 B12R2.606 FC=1C=CC2=C(N=C(O2)N)C1 ACF022695 [0,1,0,1,0,0|2,0,0]=4 508 B12R2.18 N[C@H]1[C@H](CC2=CC=CC=C12)O ACS010828 [0,1,0,1,0,0|1,0,1]=4 509 B12R2.32 ClCC=1OC2=C(N1)C=CC=C2 ACS019240 [0,1,0,1,0,0|2,0,0]=4 510 B12R2.32 S1C(=NC2=C1C=CC=C2)C=O ACS023746 [0,1,0,1,0,0|1,1,0]=4 511 B12R2.95 C1C2=CC=CC=C2NS1(=O)=O ACS023733 [0,1,0,1,0,0|1,0,1]=4 512 B12R2.202 BrC1=CC=CC2=C1N=C(O2)C ACS019225 [0,1,0,1,0,0|2,0,0]=4 513 B12R2.202 BrC1=CC=CC=2N=C(OC21)C ACS019226 [0,1,0,1,0,0|2,0,0]=4 514 B12R2.202 FC1=C2C(=NC=C1)NC(C2)=O ACF021142 [0,1,0,1,0,0|2,0,0]=4 515 B12R2.202 FC1=CC=CC2=C1NC(O2)=O ACF017199 [0,1,0,1,0,0|1,0,0]=3 516 B12R2.202 FC1=CC=CC=2N=C(OC21)N ACF022697 [0,1,0,1,0,0|2,0,0]=4 517 B12R2.202 FC=1C=CC=C2CC(NC12)=O ACF015473 [0,1,0,1,0,0|1,0,0]=3 518 B8R1.7 C(C)(=O)C1=CSC=C1 ACS010766 [0,0,0,0,2,0|2,0,0]=4 519 B8R1.7 C(C)(=O)C=1OC=CC1 ACS015299 [0,0,0,0,2,0|2,0,0]=4 520 B8R1.7 N1C(=NC=C1)C(=O)O ACS024127 [0,0,0,0,2,0|2,0,0]=4 521 B8R1.7 N1N=C(C=C1)C(=O)O ACS023899 [0,0,0,0,2,0|2,0,0]=4 522 B8R1.7 O1C(=CC=C1)C(=O)O ACS015359 [0,0,0,0,2,0|1,0,0]=3 523 B8R1.7 O1C=NC(=C1)C(=O)O ACS017722 [0,0,0,0,2,0|2,0,0]=4 524 B8R1.7 O1N=C(C=C1)C(=O)O ACS023815 [0,0,0,0,2,0|2,0,0]=4 525 B8R1.7 S1C(=CC=C1)C(=O)O ACS015397 [0,0,0,0,2,0|1,0,0]=3 526 B8R1.7 S1C(=NC=C1)C(=O)O ACS019006 [0,0,0,0,2,0|2,0,0]=4 527 B12R1.252 C(C1=CC=CC=C1)OCC(=O)O ACS017159 [0,0,0,0,0,2|0,0,0]=2 528 B12R1.252 C(C1=CC=CC=C1)OC[C@@H](C)O ACS012310 [0,0,0,0,0,2|1,0,1]=4 529 B12R1.252 C(CC1=CC=CC=C1)OC(C)=O ACS012688 [0,0,0,0,0,2|1,0,0]=3 530 B12R1.252 CC(=CCSC1=CC=CC=C1)C ACS015597 [0,0,0,0,0,2|2,0,0]=4 531 B12R1.252 O(C1=CC=CC=C1)CCC(=O)O ACS015602 [0,0,0,0,0,2|0,0,0]=2