0 B11R1.91 CC(=O)CCC1=CC=CC=C1 BBL011439 [0,0,0,0,0,0|1,0,2]=3 1 B11R1.91 CC(O)C#CC1=CC=CC=C1 BBL028011 [0,0,0,0,0,0|1,0,3]=4 2 B11R1.91 NC(=O)NCC1=CC=CC=C1 BBL013146 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.91 NC(=S)NNC1=CC=CC=C1 BBL010670 [0,0,0,0,0,0|3,1,0]=4 4 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 BBL011517 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 BBL011393 [0,0,0,0,0,0|1,0,0]=1 6 B11R1.91 O=C(O)CCC1=CC=CC=C1 BBL011572 [0,0,0,0,0,0|0,0,2]=2 7 B11R1.91 O=C(O)CNC1=CC=CC=C1 BBL012003 [0,0,0,0,0,0|1,0,1]=2 8 B11R1.91 O=C(O)CNC1=NC=CC=N1 BBL010935 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.91 O=C(O)COC1=CC=CC=C1 BBL015276 [0,0,0,0,0,0|1,0,1]=2 10 B11R1.91 O=C(O)COC1=CN=CC=C1 BBL009657 [0,0,0,0,0,0|2,0,1]=3 11 B11R1.91 O=C(O)CSC1=CC=CC=C1 BBL000591 [0,0,0,0,0,0|1,0,1]=2 12 B11R1.91 O=C(O)CSC1=CC=NC=C1 BBL001462 [0,0,0,0,0,0|2,0,1]=3 13 B11R1.91 O=C(O)CSC1=NC=CC=C1 BBL041076 [0,0,0,0,0,0|2,0,1]=3 14 B11R1.91 O=C(O)CSC1=NC=CC=N1 BBL012878 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 BBL036895 [0,0,0,0,0,0|0,0,0]=0 16 B10R1.17 ClC\C=C\C1=CC=CC=C1 BBL011410 [1,0,0,0,0,0|1,0,1]=3 17 B10R1.17 OCCNC1=CC=CC=C1 BBL011612 [1,0,0,0,0,0|1,0,2]=4 18 B10R1.17 OCCOC1=CC=CC=C1 BBL027410 [1,0,0,0,0,0|1,0,2]=4 19 B10R1.17 OC\C=C\C1=CC=CC=C1 BBL027413 [1,0,0,0,0,0|0,0,1]=2 20 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 BBL009822 [0,1,0,0,0,0|1,0,2]=4 21 B12R1.21 CC(=O)\C=C\C1=CC=[N+](C)C=C1 BBL028837 [0,1,0,0,0,0|2,0,0]=3 22 B12R1.21 CC1=CC=C(OCC(=O)Cl)C=C1 BBL013466 [0,1,0,0,0,0|2,0,1]=4 23 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 BBL014127 [0,1,0,0,0,0|1,0,1]=3 24 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 BBL000595 [0,1,0,0,0,0|1,0,1]=3 25 B12R1.21 CC1=CC=C(\C=C\C(=O)Cl)C=C1 BBL015035 [0,1,0,0,0,0|1,0,0]=2 26 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 BBL037011 [0,1,0,0,0,0|0,0,0]=1 27 B12R1.21 NC(=O)COC1=CC=C(N)C=C1 BBL012245 [0,1,0,0,0,0|2,0,1]=4 28 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 BBL002117 [0,1,0,0,0,0|0,0,2]=3 29 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 BBL013866 [0,1,0,0,0,0|1,0,1]=3 30 B12R1.21 O=C(Cl)COC1=CC=C(Br)C=C1 BBL014864 [0,1,0,0,0,0|2,0,1]=4 31 B12R1.21 O=C(Cl)COC1=CC=C(F)C=C1 BBL013921 [0,1,0,0,0,0|2,0,1]=4 32 B12R1.21 O=C(Cl)\C=C\C1=CC=C(Br)C=C1 BBL015034 [0,1,0,0,0,0|1,0,0]=2 33 B12R1.21 O=C(Cl)\C=C\C1=CC=C(F)C=C1 BBL015033 [0,1,0,0,0,0|1,0,0]=2 34 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 BBL025794 [0,1,0,0,0,0|0,0,2]=3 35 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 BBL012597 [0,1,0,0,0,0|0,0,2]=3 36 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 BBL008613 [0,1,0,0,0,0|1,0,1]=3 37 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 BBL007585 [0,1,0,0,0,0|1,0,1]=3 38 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 BBL000180 [0,1,0,0,0,0|1,0,1]=3 39 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 BBL037328 [0,1,0,0,0,0|0,0,0]=1 40 B12R1.21 O=C(O)\C=C\C1=CC=C(I)C=C1 BBL035954 [0,1,0,0,0,0|0,0,0]=1 41 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 BBL012226 [0,1,0,0,0,0|0,0,0]=1 42 B12R1.21 OC(=O)\C=C\C1=CC=C(Cl)C=C1 BBL036957 [0,1,0,0,0,0|0,0,0]=1 43 B12R1.27 COC(=O)CNC1=CC=CC=C1 BBL034685 [0,1,0,0,0,0|1,0,1]=3 44 B12R1.27 NNC(=O)CCC1=CC=CC=C1 BBL015565 [0,1,0,0,0,0|1,0,2]=4 45 B12R1.27 NNC(=O)CNC1=CC=CC=C1 BBL023232 [0,1,0,0,0,0|2,0,1]=4 46 B12R1.27 NNC(=O)CSC1=CC=CC=C1 BBL025676 [0,1,0,0,0,0|2,0,1]=4 47 B12R1.27 N\C(COC1=CC=CC=C1)=N/O BBL029575 [0,1,0,0,0,0|2,0,1]=4 48 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 BBL034736 [0,1,0,0,0,0|2,0,1]=4 49 B12R1.43 CC(OC1=CC=CC=C1)C(=O)Cl BBL013950 [0,1,0,0,0,0|2,0,1]=4 50 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O BBL002385 [0,1,0,0,0,0|1,0,1]=3 51 B12R1.43 CC(OC1=CC=CN=C1)C(=O)O BBL025738 [0,1,0,0,0,0|2,0,1]=4 52 B12R1.43 CC(SC1=NC=CC=C1)C(=O)O BBL037432 [0,1,0,0,0,0|2,0,1]=4 53 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 BBL013314 [0,1,0,0,0,0|1,0,2]=4 54 B12R1.43 NC(CC1=CN=CC=C1)C(=O)O BBL036665 [0,1,0,0,0,0|1,0,2]=4 55 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 BBL005466 [0,1,0,0,0,0|1,0,0]=2 56 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 BBL005127 [0,1,0,0,0,0|0,0,2]=3 57 B12R1.125 CC1=C(NCC(=O)O)C=CC=C1 BBL038113 [0,1,0,0,0,0|1,0,1]=3 58 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 BBL023122 [0,1,0,0,0,0|1,0,1]=3 59 B12R1.125 CC1=CC=CC=C1OCC(=O)Cl BBL014862 [0,1,0,0,0,0|2,0,1]=4 60 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)Cl BBL015052 [0,1,0,0,0,0|1,0,0]=2 61 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)O BBL013455 [0,1,0,0,0,0|0,0,0]=1 62 B12R1.125 O=C(Cl)COC1=C(Cl)C=CC=C1 BBL014866 [0,1,0,0,0,0|2,0,1]=4 63 B12R1.125 O=C(Cl)COC1=CC=CC=C1Br BBL014872 [0,1,0,0,0,0|2,0,1]=4 64 B12R1.125 O=C(Cl)COC1=CC=CC=C1F BBL014493 [0,1,0,0,0,0|2,0,1]=4 65 B12R1.125 O=C(Cl)\C=C\C1=CC=CC=C1Br BBL015050 [0,1,0,0,0,0|1,0,0]=2 66 B12R1.125 O=C(Cl)\C=C\C1=CC=CC=C1F BBL015047 [0,1,0,0,0,0|1,0,0]=2 67 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 BBL012110 [0,1,0,0,0,0|0,0,2]=3 68 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 BBL025641 [0,1,0,0,0,0|0,0,2]=3 69 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 BBL027394 [0,1,0,0,0,0|1,0,1]=3 70 B12R1.125 O=C(O)COC1=C(Br)C=CC=C1 BBL013547 [0,1,0,0,0,0|1,0,1]=3 71 B12R1.125 O=C(O)COC1=CC=CC=C1Cl BBL012541 [0,1,0,0,0,0|1,0,1]=3 72 B12R1.125 O=C(O)COC1=CC=CC=C1F BBL013906 [0,1,0,0,0,0|1,0,1]=3 73 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 BBL017155 [0,1,0,0,0,0|0,0,0]=1 74 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 BBL016304 [0,1,0,0,0,0|0,0,0]=1 75 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 BBL013048 [0,1,0,0,0,0|0,0,0]=1 76 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Cl BBL036324 [0,1,0,0,0,0|0,0,0]=1 77 B12R1.226 CC1=CC=CC(OCC(=O)Cl)=C1 BBL014168 [0,1,0,0,0,0|2,0,1]=4 78 B12R1.226 CC1=CC=CC(OCC(=O)O)=C1 BBL007979 [0,1,0,0,0,0|1,0,1]=3 79 B12R1.226 NC1=CC(OCC(=O)O)=CC=C1 BBL002631 [0,1,0,0,0,0|1,0,1]=3 80 B12R1.226 NC1=CC=CC(CCC(=O)[O-])=C1 BBL033495 [0,1,0,0,0,0|0,0,3]=4 81 B12R1.226 O=C(Cl)COC1=CC=CC(Br)=C1 BBL014964 [0,1,0,0,0,0|2,0,1]=4 82 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 BBL017173 [0,1,0,0,0,0|1,0,1]=3 83 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 BBL034639 [0,1,0,0,0,0|0,0,0]=1 84 B12R1.226 O=C(O)\C=C\C1=CC(O)=CC=C1 BBL013143 [0,1,0,0,0,0|0,0,0]=1 85 B12R2.24 ClC1=CC2=C(C=C1)N=CC=C2 BBL011738 [0,0,0,1,0,0|3,0,0]=4 86 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 BBL027621 [0,0,0,1,0,0|0,0,2]=3 87 B12R2.24 SC1=CC=C2C=CC=CC2=C1 BBL013183 [0,0,0,1,0,0|1,1,0]=3 88 B10R1.18 N=C(N)CC1=CC=CC=C1 BBL029167 [0,0,0,0,1,0|2,0,1]=4 89 B10R1.18 NC(=S)NC1=CC=CC=C1 BBL013021 [0,0,0,0,1,0|2,1,0]=4 90 B10R1.18 O=C(Cl)CC1=CC=CC=C1 BBL011387 [0,0,0,0,1,0|1,0,1]=3 91 B10R1.18 O=C(Cl)OC1=CC=CC=C1 BBL011406 [0,0,0,0,1,0|2,0,0]=3 92 B10R1.18 O=C(O)CC1=CC=CN=C1 BBL001481 [0,0,0,0,1,0|1,0,1]=3 93 B10R1.66 O=C(Cl)\C=C\C1=CC=CO1 BBL037199 [0,0,0,0,1,0|2,0,0]=3 94 B10R1.66 O=C(O)CCC1=CC=CO1 BBL027515 [0,0,0,0,1,0|1,0,2]=4 95 B10R1.66 O=C(O)CCN1C=CC=C1 BBL008565 [0,0,0,0,1,0|1,0,2]=4 96 B10R1.66 O=C(O)\C=C\C1=CC=CO1 BBL023478 [0,0,0,0,1,0|1,0,0]=2 97 B10R1.66 O=C(O)\C=C\C1=CC=CS1 BBL037013 [0,0,0,0,1,0|1,0,0]=2 98 B10R1.66 O=C(O)\C=C\C1=CNC=N1 BBL027507 [0,0,0,0,1,0|2,0,0]=3 99 B12R1.252 O=C(O)CCSC1=CC=CC=C1 BBL000175 [0,0,0,0,0,1|0,0,2]=3 100 B12R1.252 O=C(O)CSCC1=CC=CC=C1 BBL000319 [0,0,0,0,0,1|0,0,2]=3 101 B12R1.252 O=C([O-])\C=C\SC1=CC=CC=C1 BBL011032 [0,0,0,0,0,1|0,0,1]=2 102 B9R1.8 O=C=NC1=CC=CC=C1 BBL013184 [2,0,0,0,0,0|1,0,1]=4 103 B9R1.8 OCCC1=CC=CC=C1 BBL036905 [2,0,0,0,0,0|0,0,2]=4 104 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 BBL012658 [1,1,0,0,0,0|0,0,0]=2 105 B11R1.40 N\C(CC1=CC=CC=C1)=N/O BBL011916 [1,1,0,0,0,0|1,0,1]=4 106 B11R1.20 CC(=O)NC1=CC=C(N)C=C1 BBL008068 [0,1,0,0,1,0|2,0,0]=4 107 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 BBL005229 [0,1,0,0,1,0|2,0,0]=4 108 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 BBL012281 [0,1,0,0,1,0|1,0,1]=4 109 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 BBL018950 [0,1,0,0,1,0|0,0,1]=3 110 B11R1.20 NC1=CC=C(CC(O)=S)C=C1 BBL002831 [0,1,0,0,1,0|0,1,1]=4 111 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 BBL027456 [0,1,0,0,1,0|0,0,1]=3 112 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 BBL016492 [0,1,0,0,1,0|0,0,1]=3 113 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 BBL028097 [0,1,0,0,1,0|0,0,1]=3 114 B11R1.86 CC(=O)NC1=CC=CC=C1N BBL002386 [0,1,0,0,1,0|2,0,0]=4 115 B11R1.86 NC(=O)CC1=CC=CC=C1O BBL003575 [0,1,0,0,1,0|1,0,1]=4 116 B11R1.86 O=C(O)CN1C=CC=CC1=O BBL010063 [0,1,0,0,1,0|1,0,1]=4 117 B11R1.157 CC(=O)NC1=CC(Br)=CC=C1 BBL037290 [0,1,0,0,1,0|2,0,0]=4 118 B11R1.157 CC(=O)NC1=CC=CC(N)=C1 BBL009447 [0,1,0,0,1,0|2,0,0]=4 119 B11R1.157 NC(=O)CC1=CC=CC(N)=C1 BBL032017 [0,1,0,0,1,0|1,0,1]=4 120 B11R1.157 NC(=O)NC1=CC=CC(O)=C1 BBL007869 [0,1,0,0,1,0|2,0,0]=4 121 B11R1.75 CC1=CC=C(\C=C\C(=O)Cl)O1 BBL037200 [0,1,0,0,1,0|2,0,0]=4 122 B11R1.75 CC1=CC=C(\C=C\C(=O)O)O1 BBL023058 [0,1,0,0,1,0|1,0,0]=3 123 B11R1.75 O=C(O)\C=C\C1=CC=C(Br)S1 BBL035957 [0,1,0,0,1,0|1,0,0]=3 124 B13R1.45 C\C(=N/NC(N)=O)C1=CC=CC=C1 BBL038121 [0,1,0,0,0,1|2,0,0]=4 125 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 BBL010613 [0,1,0,0,0,1|0,0,1]=3 126 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 BBL008217 [0,1,0,0,0,1|0,0,1]=3 127 B13R1.45 O=C(O)CNC(=O)C1=CN=CC=C1 BBL027892 [0,1,0,0,0,1|1,0,1]=4 128 B13R1.45 O=C(O)\C=C\C(=O)C1=CC=CC=C1 BBL007891 [0,1,0,0,0,1|0,0,0]=2 129 B13R1.149 CC1=CC=CC(CSCC(=O)O)=C1 BBL002111 [0,1,0,0,0,1|0,0,2]=4 130 B13R1.149 O=C(O)CSCC1=CC=CC(Cl)=C1 BBL005395 [0,1,0,0,0,1|0,0,2]=4 131 B13R1.158 CC1=C(CSCC(=O)O)C=CC=C1 BBL000513 [0,1,0,0,0,1|0,0,2]=4 132 B13R1.348 CN(CC(=O)O)CC1=CC=CC=C1 BBL008871 [0,1,0,0,0,1|0,0,2]=4 133 B13R1.351 CC(SCC1=CC=CC=C1)C(=O)O BBL000512 [0,1,0,0,0,1|0,0,2]=4 134 B13R1.513 CC1=CC=C(CSCC(=O)O)C=C1 BBL000503 [0,1,0,0,0,1|0,0,2]=4 135 B13R1.513 CC1=CC=C(SCCC(=O)O)C=C1 BBL002765 [0,1,0,0,0,1|0,0,2]=4 136 B13R1.513 O=C(O)CCSC1=CC=C(Cl)C=C1 BBL022671 [0,1,0,0,0,1|0,0,2]=4 137 B13R1.513 O=C(O)CNCC1=CC=C(Cl)C=C1 BBL030006 [0,1,0,0,0,1|0,0,2]=4 138 B13R1.513 O=C(O)CSCC1=CC=C(Cl)C=C1 BBL007211 [0,1,0,0,0,1|0,0,2]=4 139 B13R1.513 O=C(O)CSCC1=CC=C(F)C=C1 BBL000373 [0,1,0,0,0,1|0,0,2]=4 140 B13R1.718 COC(=O)CCNC1=CC=CC=C1 BBL009803 [0,1,0,0,0,1|0,0,2]=4 141 B13R1.3 CCC1=CC=C(OCC(=O)O)C=C1 BBL015073 [0,2,0,0,0,0|1,0,1]=4 142 B13R1.3 COC1=CC=C(CCC(=O)O)C=C1 BBL002159 [0,2,0,0,0,0|0,0,2]=4 143 B13R1.3 COC1=CC=C(OCC(=O)O)C=C1 BBL012098 [0,2,0,0,0,0|1,0,1]=4 144 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 BBL012085 [0,2,0,0,0,0|0,0,0]=2 145 B13R1.3 O=CC1=CC=C(OCC(=O)O)C=C1 BBL023166 [0,2,0,0,0,0|1,0,1]=4 146 B13R1.14 CNC(=O)\C=C\C1=CC=C(N)C=C1 BBL024599 [0,2,0,0,0,0|1,0,0]=3 147 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 BBL028749 [0,2,0,0,0,0|0,0,2]=4 148 B13R1.14 COC(=O)CNC1=CC=C(Cl)C=C1 BBL009680 [0,2,0,0,0,0|1,0,1]=4 149 B13R1.14 COC(=O)CNC1=CC=C(F)C=C1 BBL031851 [0,2,0,0,0,0|1,0,1]=4 150 B13R1.132 NC(CC(=O)O)C1=CC=C(Cl)C=C1 BBL005120 [0,2,0,0,0,0|0,0,2]=4 151 B13R1.132 NC(CC(=O)O)C1=CC=C(F)C=C1 BBL004561 [0,2,0,0,0,0|0,0,2]=4 152 B13R1.133 CC(OC1=CC=C(Br)C=C1)C(=O)O BBL016386 [0,2,0,0,0,0|1,0,1]=4 153 B13R1.133 CC(OC1=CC=C(Cl)C=C1)C(=O)O BBL002029 [0,2,0,0,0,0|1,0,1]=4 154 B13R1.133 CC1=CC=C(OC(C)C(=O)O)C=C1 BBL004012 [0,2,0,0,0,0|1,0,1]=4 155 B13R1.133 CC1=CC=C(SC(C)C(=O)O)C=C1 BBL000599 [0,2,0,0,0,0|1,0,1]=4 156 B13R1.133 NC(CC1=CC=C(Cl)C=C1)C(=O)O BBL027391 [0,2,0,0,0,0|0,0,2]=4 157 B13R1.133 NC(CC1=CC=C(O)C=C1)C(=O)O BBL007890 [0,2,0,0,0,0|0,0,2]=4 158 B13R1.133 O=C(O)C(=O)NC1=CC=C(F)C=C1 BBL000519 [0,2,0,0,0,0|1,0,0]=3 159 B13R1.164 CC1=C(OCC(=O)O)C=CC(Br)=C1 BBL023606 [0,2,0,0,0,0|1,0,1]=4 160 B13R1.164 CC1=C(OCC(=O)O)C=CC(Cl)=C1 BBL002969 [0,2,0,0,0,0|1,0,1]=4 161 B13R1.164 CC1=CC=C(OCC(=O)O)C(C)=C1 BBL014309 [0,2,0,0,0,0|1,0,1]=4 162 B13R1.164 O=C(Cl)\C=C\C1=CC=C(Cl)C=C1Cl BBL015041 [0,2,0,0,0,0|1,0,0]=3 163 B13R1.164 O=C(O)CCC1=CC=C(O)C=C1O BBL028276 [0,2,0,0,0,0|0,0,2]=4 164 B13R1.164 O=C(O)COC1=C(Cl)C=C(Br)C=C1 BBL014305 [0,2,0,0,0,0|1,0,1]=4 165 B13R1.164 O=C(O)COC1=C(Cl)C=C(Cl)C=C1 BBL007778 [0,2,0,0,0,0|1,0,1]=4 166 B13R1.164 O=C(O)COC1=C(Cl)C=C(F)C=C1 BBL013912 [0,2,0,0,0,0|1,0,1]=4 167 B13R1.164 O=C(O)COC1=C(F)C=C(F)C=C1 BBL013387 [0,2,0,0,0,0|1,0,1]=4 168 B13R1.164 O=C(O)COC1=CC=C(Br)C=C1Br BBL014289 [0,2,0,0,0,0|1,0,1]=4 169 B13R1.164 O=C(O)\C=C\C1=CC=C(Cl)C=C1Cl BBL036325 [0,2,0,0,0,0|0,0,0]=2 170 B13R1.511 CC1=C(C)C=C(\C=C\C(=O)O)C=C1 BBL018025 [0,2,0,0,0,0|0,0,0]=2 171 B13R1.511 CC1=CC(OCC(=O)O)=CC=C1Br BBL023735 [0,2,0,0,0,0|1,0,1]=4 172 B13R1.511 CC1=CC(OCC(=O)O)=CC=C1Cl BBL014307 [0,2,0,0,0,0|1,0,1]=4 173 B13R1.511 CC1=CC=C(OCC(=O)O)C=C1C BBL013883 [0,2,0,0,0,0|1,0,1]=4 174 B13R1.511 O=C(O)CCC1=CC(O)=C(O)C=C1 BBL027403 [0,2,0,0,0,0|0,0,2]=4 175 B13R1.511 O=C(O)COC1=CC(Cl)=C(F)C=C1 BBL013386 [0,2,0,0,0,0|1,0,1]=4 176 B13R1.511 O=C(O)\C=C\C1=CC=C(O)C(O)=C1 BBL012113 [0,2,0,0,0,0|0,0,0]=2 177 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 BBL035649 [0,2,0,0,0,0|0,0,2]=4 178 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 BBL009783 [0,2,0,0,0,0|0,0,2]=4 179 B13R1.148 CC(OC1=CC(Br)=CC=C1)C(=O)O BBL013633 [0,2,0,0,0,0|1,0,1]=4 180 B13R1.148 CC1=CC=CC(OC(C)C(=O)O)=C1 BBL002687 [0,2,0,0,0,0|1,0,1]=4 181 B13R1.148 O=C(O)C(=O)NC1=CC=CC(Cl)=C1 BBL000510 [0,2,0,0,0,0|1,0,0]=3 182 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 BBL027465 [0,2,0,0,0,0|0,0,2]=4 183 B13R1.202 CC(OC1=CC=CC=C1Br)C(=O)O BBL017174 [0,2,0,0,0,0|1,0,1]=4 184 B13R1.202 CC(OC1=CC=CC=C1Cl)C(=O)O BBL009420 [0,2,0,0,0,0|1,0,1]=4 185 B13R1.202 CC1=C(OC(C)C(=O)O)C=CC=C1 BBL002031 [0,2,0,0,0,0|1,0,1]=4 186 B13R1.418 CCC(OC1=CC=CC=C1)C(=O)O BBL005266 [0,2,0,0,0,0|1,0,1]=4 187 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O BBL013594 [0,2,0,0,0,0|1,0,1]=4 188 B13R1.147 NC(CC(=O)O)C1=CC(Br)=CC=C1 BBL022136 [0,2,0,0,0,0|0,0,2]=4 189 B13R1.147 NC(CC(=O)O)C1=CC(F)=CC=C1 BBL008180 [0,2,0,0,0,0|0,0,2]=4 190 B13R1.147 NC(CC(=O)O)C1=CC(I)=CC=C1 BBL008176 [0,2,0,0,0,0|0,0,2]=4 191 B13R1.147 NC(CC(=O)O)C1=CC(O)=CC=C1 BBL012151 [0,2,0,0,0,0|0,0,2]=4 192 B13R1.147 NC(CC(=O)O)C1=CC=CC(Cl)=C1 BBL013290 [0,2,0,0,0,0|0,0,2]=4 193 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1Br BBL008169 [0,2,0,0,0,0|0,0,2]=4 194 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1Cl BBL013281 [0,2,0,0,0,0|0,0,2]=4 195 B13R1.347 O=C(O)CS(=O)(=O)C1=CC=CC=C1 BBL008673 [0,2,0,0,0,0|1,0,1]=4 196 B13R1.713 CNC(CC(=O)O)C1=CC=CC=C1 BBL025899 [0,2,0,0,0,0|0,0,2]=4 197 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 BBL000576 [0,2,0,0,0,0|0,0,2]=4 198 B13R1.90 C(=O)C1=CC=CC=C1OCC(=O)O BBL009148 [0,2,0,0,0,0|1,0,1]=4 199 B13R1.90 COC1=C(NCC(=O)O)C=CC=C1 BBL012004 [0,2,0,0,0,0|1,0,1]=4 200 B13R1.90 COC1=CC=CC=C1OCC(=O)O BBL012084 [0,2,0,0,0,0|1,0,1]=4 201 B13R1.90 COC1=CC=CC=C1\C=C\C(=O)Cl BBL015045 [0,2,0,0,0,0|1,0,0]=3 202 B13R1.90 N#CC1=C(OCC(=O)O)C=CC=C1 BBL038188 [0,2,0,0,0,0|1,0,1]=4 203 B13R1.90 OC(=O)\C=C\C1=CC=CC=C1OC BBL013998 [0,2,0,0,0,0|0,0,0]=2 204 B13R1.150 CC1=C(C)C(OCC(=O)O)=CC=C1 BBL014208 [0,2,0,0,0,0|1,0,1]=4 205 B13R1.150 O=C(O)COC1=CC=CC(Cl)=C1Cl BBL037532 [0,2,0,0,0,0|1,0,1]=4 206 B13R1.893 CC1=CC(OCC(=O)O)=C(C)C=C1 BBL023636 [0,2,0,0,0,0|1,0,1]=4 207 B13R1.893 CC1=CC(OCC(=O)O)=C(Cl)C=C1 BBL013403 [0,2,0,0,0,0|1,0,1]=4 208 B13R1.893 O=C(O)COC1=C(Cl)C=CC(Cl)=C1 BBL015163 [0,2,0,0,0,0|1,0,1]=4 209 B13R1.3787 CC1=CC=CC(C)=C1OCC(=O)O BBL015280 [0,2,0,0,0,0|1,0,1]=4 210 B13R1.3787 O=C(Cl)\C=C\C1=C(Cl)C=CC=C1Cl BBL015043 [0,2,0,0,0,0|1,0,0]=3 211 B13R1.3787 O=C(Cl)\C=C\C1=C(F)C=CC=C1Cl BBL015044 [0,2,0,0,0,0|1,0,0]=3 212 B13R1.3787 O=C(O)\C=C\C1=C(Cl)C=CC=C1Cl BBL037342 [0,2,0,0,0,0|0,0,0]=2 213 B13R1.3787 O=C(O)\C=C\C1=C(F)C=CC=C1Cl BBL034247 [0,2,0,0,0,0|0,0,0]=2 214 B13R1.643 CCC1=CC=CC(OCC(=O)O)=C1 BBL023123 [0,2,0,0,0,0|1,0,1]=4 215 B13R1.643 COC1=CC(OCC(=O)O)=CC=C1 BBL037423 [0,2,0,0,0,0|1,0,1]=4 216 B13R1.643 COC1=CC(\C=C\C(=O)O)=CC=C1 BBL019132 [0,2,0,0,0,0|0,0,0]=2 217 B13R1.3420 CC1=CC(C)=CC(OCC(=O)O)=C1 BBL008038 [0,2,0,0,0,0|1,0,1]=4 218 B11R1.53 COC1=C(C(=O)O)C=CC=C1 BBL036896 [0,0,1,1,0,0|1,0,1]=4 219 B11R1.53 NNC1=CC=CC=C1C(=O)O BBL019027 [0,0,1,1,0,0|2,0,0]=4 220 B11R1.53 O=C(O)C1=C(CO)C=CC=C1 BBL018811 [0,0,1,1,0,0|1,0,1]=4 221 B11R1.53 O=CC1=CC=CC=C1C(=O)O BBL013693 [0,0,1,1,0,0|1,0,0]=3 222 B11R1.266 NCC1=CC=CC(C(=O)O)=C1 BBL010150 [0,0,1,1,0,0|1,0,1]=4 223 B11R1.266 O=C(O)C1=CC(CBr)=CC=C1 BBL104328 [0,0,1,1,0,0|1,0,1]=4 224 B11R1.167 CC1=CC=C(O)C(C(=O)O)=C1 BBL027383 [0,0,1,1,0,0|1,0,1]=4 225 B11R1.167 NC1=C(C(=O)O)C=C(O)C=C1 BBL027665 [0,0,1,1,0,0|2,0,0]=4 226 B11R1.167 NC1=CC(C(=O)O)=C(Cl)C=C1 BBL027662 [0,0,1,1,0,0|2,0,0]=4 227 B11R1.167 NC1=CC=C(F)C(C(=O)O)=C1 BBL028158 [0,0,1,1,0,0|2,0,0]=4 228 B11R1.167 NC1=CC=C(F)C=C1C(=O)O BBL010568 [0,0,1,1,0,0|2,0,0]=4 229 B11R1.167 NC1=CC=C(I)C=C1C(=O)O BBL027663 [0,0,1,1,0,0|2,0,0]=4 230 B11R1.167 NC1=CC=C(O)C(C(=O)O)=C1 BBL013046 [0,0,1,1,0,0|2,0,0]=4 231 B11R1.167 O=C(O)C1=CC(Br)=CC=C1O BBL007983 [0,0,1,1,0,0|2,0,0]=4 232 B11R1.167 O=C(O)C1=CC(Cl)=CC=C1F BBL100255 [0,0,1,1,0,0|2,0,0]=4 233 B11R1.167 O=C(O)C1=CC(I)=CC=C1I BBL035879 [0,0,1,1,0,0|2,0,0]=4 234 B11R1.167 O=C(O)C1=CC(O)=CC=C1O BBL013232 [0,0,1,1,0,0|2,0,0]=4 235 B11R2.20 C1=CC2=C(C=C1)N=CC=C2 BBL011390 [1,0,0,1,0,0|1,0,0]=3 236 B11R2.20 C1=CC2=CC=NC=C2C=C1 BBL011362 [1,0,0,1,0,0|2,0,0]=4 237 B11R2.20 C1=CC=C2N=CC=NC2=C1 BBL012266 [1,0,0,1,0,0|2,0,0]=4 238 B11R2.10 O=C1NC2=C(C=CC=C2)O1 BBL027537 [0,0,0,1,1,0|1,0,0]=3 239 B11R2.36 OC1=CC2=C(C=C1)NC=C2 BBL036782 [0,0,0,1,1,0|2,0,0]=4 240 B13R2.10 BrC1=NC(C2=CC=CC=C2)=CS1 BBL031439 [0,0,0,1,0,1|2,0,0]=4 241 B13R2.10 ClC1=NC(C2=CC=CC=C2)=CS1 BBL012941 [0,0,0,1,0,1|2,0,0]=4 242 B13R2.10 NC1=NC(C2=CC=CC=C2)=CN1 BBL022358 [0,0,0,1,0,1|2,0,0]=4 243 B13R2.10 NC1=NN(C2=CC=CC=C2)C=C1 BBL104243 [0,0,0,1,0,1|2,0,0]=4 244 B13R2.10 O=C1NN=C(C2=CC=NC=C2)O1 BBL029537 [0,0,0,1,0,1|2,0,0]=4 245 B13R2.10 OC1=CC(C2=CC=CC=C2)=NN1 BBL038005 [0,0,0,1,0,1|2,0,0]=4 246 B13R2.10 SC1=NC(C2=CC=CC=C2)=CS1 BBL000524 [0,0,0,1,0,1|1,1,0]=4 247 B13R2.10 SC1=NC=C(C2=CC=CC=C2)N1 BBL028658 [0,0,0,1,0,1|1,1,0]=4 248 B13R2.72 O=C(O)C1=C2N=CC=CN2N=C1 BBL038204 [0,0,0,1,0,1|2,0,0]=4 249 B13R2.155 NC1=CC=C2C=CC(O)=CC2=C1 BBL018005 [0,1,0,1,0,0|1,0,0]=3 250 B13R2.155 O=C1C=CC2=CC=C(O)C=C2O1 BBL027620 [0,1,0,1,0,0|0,0,0]=2 251 B13R2.32 NC1=C2C=CC=CC2=CC=C1O BBL012066 [0,1,0,1,0,0|1,0,0]=3 252 B13R2.32 O=C1C=CC2=C(C=CC=C2)C1=O BBL027354 [0,1,0,1,0,0|0,0,1]=3 253 B13R2.32 OC1=C(Cl)C2=CC=CC=C2C=C1 BBL034800 [0,1,0,1,0,0|1,0,0]=3 254 B13R2.57 COC1=CC2=CC=CN=C2C=C1 BBL027610 [0,1,0,1,0,0|2,0,0]=4 255 B13R2.57 NCC1=NC2=CC=CC=C2C=C1 BBL040738 [0,1,0,1,0,0|2,0,0]=4 256 B13R2.57 O=CC1=NC2=C(C=CC=C2)N=C1 BBL011757 [0,1,0,1,0,0|2,0,0]=4 257 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 BBL018112 [0,1,0,1,0,0|0,0,0]=2 258 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 BBL040922 [0,1,0,1,0,0|1,0,0]=3 259 B13R2.435 O=C(O)C1=NN2C=CC=NC2=C1 BBL039387 [0,1,0,1,0,0|2,0,0]=4 260 B13R2.435 O=C(O)C1OC2=CC=CC=C2O1 BBL030174 [0,1,0,1,0,0|1,0,1]=4 261 B13R2.328 CC1=CC(Cl)=NC2=CC=CC=C12 BBL010332 [0,1,0,1,0,0|2,0,0]=4 262 B13R2.328 CC1=NC2=CC=CC=C2C(S)=C1 BBL029187 [0,1,0,1,0,0|2,0,0]=4 263 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)O1 BBL027616 [0,1,0,1,0,0|0,0,0]=2 264 B13R2.328 O=C1C=C(O)N=C2C=CC=CN12 BBL028642 [0,1,0,1,0,0|2,0,0]=4 265 B13R2.328 O=C1NC2=CC=CC=C2C(=O)O1 BBL009904 [0,1,0,1,0,0|2,0,0]=4 266 B13R2.328 OC1=NC2=CC=CC=C2C(O)=N1 BBL025915 [0,1,0,1,0,0|2,0,0]=4 267 B13R2.5179 CC1=CC=C2C(C)=CC=CC2=C1 BBL019900 [0,1,0,1,0,0|2,0,0]=4 268 B13R2.3683 CC1=CC2=C(C=C1)N=C(C)C=C2 BBL034645 [0,1,0,1,0,0|2,0,0]=4 269 B13R2.3683 CC1=NC2=C(C=C1)C=C(N)C=C2 BBL012761 [0,1,0,1,0,0|2,0,0]=4 270 B13R2.3683 OC1=CC=C2C=C(O)C=CC2=C1 BBL025841 [0,1,0,1,0,0|1,0,0]=3 271 B9R1.6 N=C(N)C1=CC=CC=C1 BBL012141 [0,0,0,0,2,0|2,0,0]=4 272 B9R1.6 O=C(Cl)C1=CC=CN=C1 BBL012969 [0,0,0,0,2,0|2,0,0]=4 273 B9R1.6 O=C(O)C1=CC=CN=C1 BBL037343 [0,0,0,0,2,0|1,0,0]=3 274 B9R1.6 O=C([O-])C1=NC=CC=C1 BBL033863 [0,0,0,0,2,0|1,0,1]=4 275 B9R1.6 [NH+]1=C(C(=O)Cl)C=CC=C1 BBL035642 [0,0,0,0,2,0|2,0,0]=4 276 B9R1.13 O=C(O)CC1=CSC=C1 BBL025878 [0,0,0,0,2,0|1,0,1]=4 277 B13R1.337 O=C(O)CCSCC1=CC=CC=C1 BBL022628 [0,0,0,0,0,2|0,0,2]=4