0 B10R1.18 N=C(N)CC1=CC=CC=C1 BBL029167 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.18 NC(=S)NC1=CC=CC=C1 BBL013021 [0,0,0,0,0,0|2,1,0]=3 2 B10R1.18 O=C(Cl)CC1=CC=CC=C1 BBL011387 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.18 O=C(Cl)OC1=CC=CC=C1 BBL011406 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.18 O=C(O)CC1=CC=CN=C1 BBL001481 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.8 BrCCC1=CC=CC=C1 BBL027290 [1,0,0,0,0,0|1,0,1]=3 6 B9R1.8 CNCC1=NC=CC=C1 BBL029574 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.8 COCC1=CC=CC=C1 BBL011461 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.8 ClCCC1=CC=CC=C1 BBL027318 [1,0,0,0,0,0|1,0,1]=3 9 B9R1.8 NNCC1=CC=CC=C1 BBL029077 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.8 NOCC1=CC=CC=C1 BBL040921 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.8 O=C=NC1=CC=CC=C1 BBL013184 [1,0,0,0,0,0|1,0,1]=3 12 B9R1.8 OCCC1=CC=CC=C1 BBL036905 [1,0,0,0,0,0|0,0,1]=2 13 B9R1.8 OCCC1=NC=CC=C1 BBL027580 [1,0,0,0,0,0|1,0,1]=3 14 B9R1.8 S=C=NC1=CC=CC=C1 BBL027476 [1,0,0,0,0,0|1,1,1]=4 15 B11R1.20 CC(=O)NC1=CC=C(N)C=C1 BBL008068 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 BBL005229 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.20 CC1=CC=C(NC(=S)[S-])C=C1 BBL033930 [0,1,0,0,0,0|1,2,0]=4 18 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 BBL012281 [0,1,0,0,0,0|1,0,0]=2 19 B11R1.20 NC(=S)NC1=CC=C(O)C=C1 BBL027969 [0,1,0,0,0,0|2,1,0]=4 20 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 BBL018950 [0,1,0,0,0,0|0,0,0]=1 21 B11R1.20 NC1=CC=C(CC(O)=S)C=C1 BBL002831 [0,1,0,0,0,0|0,1,0]=2 22 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 BBL027456 [0,1,0,0,0,0|0,0,0]=1 23 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 BBL016492 [0,1,0,0,0,0|0,0,0]=1 24 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 BBL028097 [0,1,0,0,0,0|0,0,0]=1 25 B11R1.40 CNC(=S)NC1=CC=CC=C1 BBL023221 [0,1,0,0,0,0|2,1,0]=4 26 B11R1.40 COC(=O)CC1=CC=CC=C1 BBL010506 [0,1,0,0,0,0|0,0,0]=1 27 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 BBL012658 [0,1,0,0,0,0|1,0,1]=3 28 B11R1.40 NCC(=O)NC1=CC=NC=C1 BBL007617 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.40 NCC(=O)NC1=NC=CC=C1 BBL011243 [0,1,0,0,0,0|3,0,0]=4 30 B11R1.40 NNC(=O)CC1=CC=CC=C1 BBL008394 [0,1,0,0,0,0|1,0,0]=2 31 B11R1.40 NNC(=O)C[N+]1=CC=CC=C1 BBL018745 [0,1,0,0,0,0|2,0,0]=3 32 B11R1.40 NNC(=O)NC1=CC=CC=C1 BBL036427 [0,1,0,0,0,0|2,0,0]=3 33 B11R1.40 N\C(CC1=CC=CC=C1)=N/O BBL011916 [0,1,0,0,0,0|1,0,0]=2 34 B11R1.40 [C@H](N)(CO)CC1=CC=CC=C1 BBL010795 [0,1,0,0,0,0|1,0,1]=3 35 B11R1.86 CC(=O)NC1=CC=CC=C1N BBL002386 [0,1,0,0,0,0|2,0,0]=3 36 B11R1.86 CC1=CC=CC=C1NC(N)=S BBL027968 [0,1,0,0,0,0|2,1,0]=4 37 B11R1.86 NC(=O)CC1=CC=CC=C1O BBL003575 [0,1,0,0,0,0|1,0,0]=2 38 B11R1.86 NC(=S)NC1=CC=CC=C1O BBL008029 [0,1,0,0,0,0|2,1,0]=4 39 B11R1.86 O=C(O)CN1C=CC=CC1=O BBL010063 [0,1,0,0,0,0|1,0,0]=2 40 B11R1.157 CC(=O)NC1=CC(Br)=CC=C1 BBL037290 [0,1,0,0,0,0|2,0,0]=3 41 B11R1.157 CC(=O)NC1=CC=CC(N)=C1 BBL009447 [0,1,0,0,0,0|2,0,0]=3 42 B11R1.157 CC1=CC(NC(N)=S)=CC=C1 BBL023549 [0,1,0,0,0,0|2,1,0]=4 43 B11R1.157 NC(=O)CC1=CC=CC(N)=C1 BBL032017 [0,1,0,0,0,0|1,0,0]=2 44 B11R1.157 NC(=O)NC1=CC=CC(O)=C1 BBL007869 [0,1,0,0,0,0|2,0,0]=3 45 B11R1.157 NC(=S)NC1=CC(Cl)=CC=C1 BBL027871 [0,1,0,0,0,0|2,1,0]=4 46 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 BBL011462 [0,1,0,0,0,0|3,0,0]=4 47 B11R2.10 NC1=NC2=CC=CC=C2N1 BBL033933 [0,0,0,1,0,0|3,0,0]=4 48 B11R2.10 O=C1NC2=C(C=CC=C2)O1 BBL027537 [0,0,0,1,0,0|1,0,0]=2 49 B11R2.10 O=C1NC2=C(N=CC=C2)N1 BBL028669 [0,0,0,1,0,0|3,0,0]=4 50 B11R2.10 S=C1NC2=C(C=CC=C2)N1 BBL023512 [0,0,0,1,0,0|2,1,0]=4 51 B11R2.10 SC1=NC2=C(C=CC=C2)N1 BBL011714 [0,0,0,1,0,0|2,1,0]=4 52 B9R1.6 CC(=O)C1=NC=CN=C1 BBL037027 [0,0,0,0,1,0|3,0,0]=4 53 B9R1.6 N=C(N)C1=CC=CC=C1 BBL012141 [0,0,0,0,1,0|2,0,0]=3 54 B9R1.6 N=C(N)C1=CC=NC=C1 BBL013969 [0,0,0,0,1,0|3,0,0]=4 55 B9R1.6 N=C(N)C1=CN=CC=C1 BBL013274 [0,0,0,0,1,0|3,0,0]=4 56 B9R1.6 NC(=S)C1=NC=CC=C1 BBL100340 [0,0,0,0,1,0|2,1,0]=4 57 B9R1.6 O=C(Cl)C1=CC=CN=C1 BBL012969 [0,0,0,0,1,0|2,0,0]=3 58 B9R1.6 O=C(O)C1=CC=CN=C1 BBL037343 [0,0,0,0,1,0|1,0,0]=2 59 B9R1.6 O=C([O-])C1=NC=CC=C1 BBL033863 [0,0,0,0,1,0|1,0,1]=3 60 B9R1.6 [NH+]1=C(C(=O)Cl)C=CC=C1 BBL035642 [0,0,0,0,1,0|2,0,0]=3 61 B9R1.13 CC(=O)CN1C=CC=N1 BBL040015 [0,0,0,0,1,0|3,0,0]=4 62 B9R1.13 O=C(Cl)CC1=CC=CS1 BBL027527 [0,0,0,0,1,0|2,0,0]=3 63 B9R1.13 O=C(O)CC1=CSC=C1 BBL025878 [0,0,0,0,1,0|1,0,0]=2 64 B9R1.13 O=C(O)CN1C=CC=N1 BBL008568 [0,0,0,0,1,0|2,0,0]=3 65 B9R1.13 O=C(O)CN1C=CN=C1 BBL001468 [0,0,0,0,1,0|2,0,0]=3 66 B11R1.91 CC(=O)CCC1=CC=CC=C1 BBL011439 [0,0,0,0,0,1|1,0,0]=2 67 B11R1.91 CC(O)C#CC1=CC=CC=C1 BBL028011 [0,0,0,0,0,1|1,0,2]=4 68 B11R1.91 NC(=O)NCC1=CC=CC=C1 BBL013146 [0,0,0,0,0,1|1,0,0]=2 69 B11R1.91 NC(=S)NNC1=CC=CC=C1 BBL010670 [0,0,0,0,0,1|2,1,0]=4 70 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 BBL011517 [0,0,0,0,0,1|1,0,0]=2 71 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 BBL011393 [0,0,0,0,0,1|1,0,1]=3 72 B11R1.91 O=C(O)CCC1=CC=CC=C1 BBL011572 [0,0,0,0,0,1|0,0,0]=1 73 B11R1.91 O=C(O)CNC1=CC=CC=C1 BBL012003 [0,0,0,0,0,1|0,0,0]=1 74 B11R1.91 O=C(O)CNC1=NC=CC=N1 BBL010935 [0,0,0,0,0,1|2,0,0]=3 75 B11R1.91 O=C(O)COC1=CC=CC=C1 BBL015276 [0,0,0,0,0,1|0,0,0]=1 76 B11R1.91 O=C(O)COC1=CN=CC=C1 BBL009657 [0,0,0,0,0,1|1,0,0]=2 77 B11R1.91 O=C(O)CSC1=CC=CC=C1 BBL000591 [0,0,0,0,0,1|0,0,0]=1 78 B11R1.91 O=C(O)CSC1=CC=NC=C1 BBL001462 [0,0,0,0,0,1|1,0,0]=2 79 B11R1.91 O=C(O)CSC1=NC=CC=C1 BBL041076 [0,0,0,0,0,1|1,0,0]=2 80 B11R1.91 O=C(O)CSC1=NC=CC=N1 BBL012878 [0,0,0,0,0,1|2,0,0]=3 81 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 BBL036895 [0,0,0,0,0,1|0,0,1]=2 82 B8R1.2 C=CC1=CC=CC=N1 BBL027578 [2,0,0,0,0,0|1,0,1]=4 83 B8R1.2 C=CC1=CC=NC=C1 BBL027584 [2,0,0,0,0,0|1,0,1]=4 84 B8R1.2 ClCC1=CC=CC=N1 BBL009975 [2,0,0,0,0,0|2,0,0]=4 85 B8R1.2 NCC1=CC=CN=C1 BBL036897 [2,0,0,0,0,0|2,0,0]=4 86 B8R1.2 NNC1=CC=CC=C1 BBL011601 [2,0,0,0,0,0|2,0,0]=4 87 B8R1.2 O=CC1=CC=CC=N1 BBL027574 [2,0,0,0,0,0|1,0,0]=3 88 B8R1.2 O=CC1=CC=NC=C1 BBL025920 [2,0,0,0,0,0|1,0,0]=3 89 B8R1.2 OCC1=CC=CC=C1 BBL011938 [2,0,0,0,0,0|0,0,0]=2 90 B8R1.2 [NH3+]CC1=CC=CC=C1 BBL002893 [2,0,0,0,0,0|1,0,0]=3 91 B10R1.1 CC1=CC=C(CON)C=C1 BBL039158 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.1 COCC1=CC=C(N)C=C1 BBL030690 [1,1,0,0,0,0|2,0,0]=4 93 B10R1.1 NC1=CC=C(CCO)C=C1 BBL036337 [1,1,0,0,0,0|0,0,1]=3 94 B10R1.1 NCCC1=CC=C(F)C=C1 BBL013000 [1,1,0,0,0,0|1,0,1]=4 95 B10R1.1 NCCC1=CC=C(O)C=C1 BBL027695 [1,1,0,0,0,0|1,0,1]=4 96 B10R1.1 O=C=NC1=CC=C(Br)C=C1 BBL037653 [1,1,0,0,0,0|1,0,1]=4 97 B10R1.1 O=C=NC1=CC=C(Cl)C=C1 BBL012220 [1,1,0,0,0,0|1,0,1]=4 98 B10R1.4 C=CCC1=C(O)C=CC=C1 BBL027374 [1,1,0,0,0,0|1,0,0]=3 99 B10R1.4 O=C=NC1=CC=CC=C1Br BBL037642 [1,1,0,0,0,0|1,0,1]=4 100 B10R1.4 O\N=C\C1=C(O)C=CC=C1 BBL013317 [1,1,0,0,0,0|1,0,1]=4 101 B10R1.10 CNCC1=CC(N)=CC=C1 BBL011550 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.10 NCCC1=CC=CC(F)=C1 BBL012999 [1,1,0,0,0,0|1,0,1]=4 103 B10R1.10 O=C=NC1=CC(Br)=CC=C1 BBL037667 [1,1,0,0,0,0|1,0,1]=4 104 B10R1.10 O=C=NC1=CC=CC(Cl)=C1 BBL013128 [1,1,0,0,0,0|1,0,1]=4 105 B10R1.10 O\N=C\C1=CC(O)=CC=C1 BBL023045 [1,1,0,0,0,0|1,0,1]=4 106 B10R1.15 N\C(=N/O)C1=CC=CC=C1 BBL005528 [1,1,0,0,0,0|1,0,1]=4 107 B10R1.17 BrCCCC1=CC=CC=C1 BBL027292 [1,1,0,0,0,0|1,0,1]=4 108 B10R1.17 CCCNC1=CC=CC=C1 BBL012082 [1,1,0,0,0,0|1,0,1]=4 109 B10R1.17 ClC\C=C\C1=CC=CC=C1 BBL011410 [1,1,0,0,0,0|1,0,1]=4 110 B10R1.17 NCCOC1=CC=CC=C1 BBL028054 [1,1,0,0,0,0|1,0,1]=4 111 B10R1.17 OCCNC1=CC=CC=C1 BBL011612 [1,1,0,0,0,0|0,0,1]=3 112 B10R1.17 OCCOC1=CC=CC=C1 BBL027410 [1,1,0,0,0,0|0,0,1]=3 113 B10R1.17 OC\C=C\C1=CC=CC=C1 BBL027413 [1,1,0,0,0,0|0,0,1]=3 114 B10R1.17 S=C=NCC1=CC=CC=C1 BBL013129 [1,1,0,0,0,0|0,1,1]=4 115 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 BBL013140 [0,1,0,0,1,0|1,0,0]=3 116 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 BBL027306 [0,1,0,0,1,0|1,0,0]=3 117 B10R1.13 CC1=CC=C(C(N)=O)C=N1 BBL100086 [0,1,0,0,1,0|2,0,0]=4 118 B10R1.13 N=C(N)C1=CC=C(F)C=C1 BBL013947 [0,1,0,0,1,0|2,0,0]=4 119 B10R1.13 N=C(N)C1=CC=C(N)C=C1 BBL007616 [0,1,0,0,1,0|2,0,0]=4 120 B10R1.13 NC(=O)C1=CC=C(N)C=C1 BBL011581 [0,1,0,0,1,0|1,0,0]=3 121 B10R1.13 NC(=S)C1=CC=C(O)C=C1 BBL010014 [0,1,0,0,1,0|1,1,0]=4 122 B10R1.13 NC1=NC=C(C(=O)O)C=C1 BBL018585 [0,1,0,0,1,0|1,0,0]=3 123 B10R1.13 O=C(Cl)C1=CC=C(Cl)C=C1 BBL011385 [0,1,0,0,1,0|1,0,0]=3 124 B10R1.13 O=C(O)C1=CC=C(O)C=C1 BBL011981 [0,1,0,0,1,0|0,0,0]=2 125 B10R1.13 O=C1C=CC(C(=O)O)=CN1 BBL001444 [0,1,0,0,1,0|1,0,0]=3 126 B10R1.13 O=C1C=CC(C(=O)O)=CO1 BBL009090 [0,1,0,0,1,0|1,0,0]=3 127 B10R1.13 O=C1C=CC(C(=O)O)=NN1 BBL015079 [0,1,0,0,1,0|2,0,0]=4 128 B10R1.13 O=[N+]([O-])C1=CC=C(Cl)C=C1 BBL013182 [0,1,0,0,1,0|1,0,1]=4 129 B10R1.13 O=[N+]([O-])C1=CC=C(F)C=C1 BBL027638 [0,1,0,0,1,0|1,0,1]=4 130 B10R1.61 CC(=O)C1=C(O)C=CC=C1 BBL012126 [0,1,0,0,1,0|1,0,0]=3 131 B10R1.61 NC(=O)C1=C(O)C=CC=C1 BBL016007 [0,1,0,0,1,0|1,0,0]=3 132 B10R1.61 NC(=O)C1=C(O)C=CC=N1 BBL009297 [0,1,0,0,1,0|2,0,0]=4 133 B10R1.61 NC(=O)C1=CC=CC=C1N BBL012278 [0,1,0,0,1,0|1,0,0]=3 134 B10R1.61 NC(=S)C1=CC=CC=C1N BBL018382 [0,1,0,0,1,0|1,1,0]=4 135 B10R1.61 NC1=C(C(=O)O)C=NC=N1 BBL028016 [0,1,0,0,1,0|2,0,0]=4 136 B10R1.61 NC1=CC=CC=C1C(=O)O BBL025605 [0,1,0,0,1,0|0,0,0]=2 137 B10R1.61 NC1=NC=CC=C1C(=O)O BBL001472 [0,1,0,0,1,0|1,0,0]=3 138 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 BBL025932 [0,1,0,0,1,0|0,0,0]=2 139 B10R1.61 O=C(O)C1=CC=CN=C1O BBL001459 [0,1,0,0,1,0|1,0,0]=3 140 B10R1.61 O=C(O)C1=CC=CN=C1S BBL005413 [0,1,0,0,1,0|1,0,0]=3 141 B10R1.61 O=C(O)C1=CC=CNC1=O BBL009636 [0,1,0,0,1,0|1,0,0]=3 142 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 BBL000698 [0,1,0,0,1,0|0,0,1]=3 143 B10R1.113 CC(=O)C1=CC=CC(O)=C1 BBL010535 [0,1,0,0,1,0|1,0,0]=3 144 B10R1.113 CC1=CC=CC(C(=O)O)=N1 BBL023748 [0,1,0,0,1,0|1,0,0]=3 145 B10R1.113 NC(=O)C1=CC(Cl)=NC=C1 BBL028416 [0,1,0,0,1,0|2,0,0]=4 146 B10R1.113 NC(=O)C1=CC(N)=CC=C1 BBL027669 [0,1,0,0,1,0|1,0,0]=3 147 B10R1.113 NC(=O)C1=NC(Cl)=CC=C1 BBL028889 [0,1,0,0,1,0|2,0,0]=4 148 B10R1.113 NC1=CC(C(=O)O)=CN=C1 BBL011806 [0,1,0,0,1,0|1,0,0]=3 149 B10R1.113 NC1=CC=CC(C(=O)O)=C1 BBL037339 [0,1,0,0,1,0|0,0,0]=2 150 B10R1.113 NC1=NC=CC(C(=O)O)=C1 BBL009435 [0,1,0,0,1,0|1,0,0]=3 151 B10R1.113 O=C(O)C1=CC(Br)=CC=C1 BBL025793 [0,1,0,0,1,0|0,0,0]=2 152 B10R1.113 O=C(O)C1=CC(O)=CC=C1 BBL011983 [0,1,0,0,1,0|0,0,0]=2 153 B10R1.113 O=C(O)C1=CC(O)=CN=C1 BBL010930 [0,1,0,0,1,0|1,0,0]=3 154 B10R1.113 O=C(O)C1=CC=C[N+]([O-])=C1 BBL012227 [0,1,0,0,1,0|1,0,0]=3 155 B10R1.113 O=C(O)C1=NC(O)=CC=C1 BBL010816 [0,1,0,0,1,0|1,0,0]=3 156 B10R1.23 NC(C(=O)O)C1=CC=CS1 BBL020456 [0,1,0,0,1,0|1,0,0]=3 157 B10R1.27 CCC(=O)CC1=CC=CO1 BBL029638 [0,1,0,0,1,0|2,0,0]=4 158 B10R1.27 COC(=O)CN1C=CC=N1 BBL029540 [0,1,0,0,1,0|2,0,0]=4 159 B10R1.27 COC(=O)CN1C=CN=C1 BBL031873 [0,1,0,0,1,0|2,0,0]=4 160 B10R1.27 NNC(=O)CC1=CC=CS1 BBL015543 [0,1,0,0,1,0|2,0,0]=4 161 B10R1.54 CC1=CN(CC(=O)O)N=C1 BBL029986 [0,1,0,0,1,0|2,0,0]=4 162 B10R1.54 CC1=NC(CC(=O)O)=CS1 BBL029738 [0,1,0,0,1,0|2,0,0]=4 163 B10R1.54 CC1=NN(CC(=O)O)C=C1 BBL013042 [0,1,0,0,1,0|2,0,0]=4 164 B10R1.54 NC1=CN(CC(=O)O)N=C1 BBL040383 [0,1,0,0,1,0|2,0,0]=4 165 B10R1.54 NC1=NC(CC(=O)O)=CS1 BBL008947 [0,1,0,0,1,0|2,0,0]=4 166 B10R1.54 NC1=NN(CC(=O)O)C=C1 BBL039926 [0,1,0,0,1,0|2,0,0]=4 167 B10R1.54 O=C(O)CC1=CC(=O)NN1 BBL034976 [0,1,0,0,1,0|2,0,0]=4 168 B10R1.54 O=C(O)CN1C=C(Br)C=N1 BBL008593 [0,1,0,0,1,0|2,0,0]=4 169 B10R1.54 O=C(O)CN1C=C(Cl)C=N1 BBL016031 [0,1,0,0,1,0|2,0,0]=4 170 B10R1.54 O=C(O)CN1C=C(I)C=N1 BBL036698 [0,1,0,0,1,0|2,0,0]=4 171 B10R1.64 CC1=CC=NN1CC(=O)O BBL016057 [0,1,0,0,1,0|2,0,0]=4 172 B10R1.64 CC1=NC=CN1CC(=O)O BBL013221 [0,1,0,0,1,0|2,0,0]=4 173 B10R1.64 N=C1SC=CN1CC(=O)O BBL028364 [0,1,0,0,1,0|2,0,0]=4 174 B10R1.64 O=C(O)CC1=CNN=C1O BBL031520 [0,1,0,0,1,0|2,0,0]=4 175 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 BBL009822 [0,1,0,0,0,1|1,0,0]=3 176 B12R1.21 CC1=CC=C(OCC(=O)Cl)C=C1 BBL013466 [0,1,0,0,0,1|1,0,0]=3 177 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 BBL014127 [0,1,0,0,0,1|0,0,0]=2 178 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 BBL000595 [0,1,0,0,0,1|0,0,0]=2 179 B12R1.21 CC1=CC=C(\C=C\C(=O)Cl)C=C1 BBL015035 [0,1,0,0,0,1|1,0,1]=4 180 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 BBL037011 [0,1,0,0,0,1|0,0,1]=3 181 B12R1.21 NC(=O)COC1=CC=C(N)C=C1 BBL012245 [0,1,0,0,0,1|1,0,0]=3 182 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 BBL002117 [0,1,0,0,0,1|0,0,0]=2 183 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 BBL013866 [0,1,0,0,0,1|0,0,0]=2 184 B12R1.21 O=C(Cl)COC1=CC=C(Br)C=C1 BBL014864 [0,1,0,0,0,1|1,0,0]=3 185 B12R1.21 O=C(Cl)COC1=CC=C(F)C=C1 BBL013921 [0,1,0,0,0,1|1,0,0]=3 186 B12R1.21 O=C(Cl)\C=C\C1=CC=C(Br)C=C1 BBL015034 [0,1,0,0,0,1|1,0,1]=4 187 B12R1.21 O=C(Cl)\C=C\C1=CC=C(F)C=C1 BBL015033 [0,1,0,0,0,1|1,0,1]=4 188 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 BBL025794 [0,1,0,0,0,1|0,0,0]=2 189 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 BBL012597 [0,1,0,0,0,1|0,0,0]=2 190 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 BBL008613 [0,1,0,0,0,1|0,0,0]=2 191 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 BBL007585 [0,1,0,0,0,1|0,0,0]=2 192 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 BBL000180 [0,1,0,0,0,1|0,0,0]=2 193 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 BBL037328 [0,1,0,0,0,1|0,0,1]=3 194 B12R1.21 O=C(O)\C=C\C1=CC=C(I)C=C1 BBL035954 [0,1,0,0,0,1|0,0,1]=3 195 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 BBL012226 [0,1,0,0,0,1|0,0,1]=3 196 B12R1.21 OC(=O)\C=C\C1=CC=C(Cl)C=C1 BBL036957 [0,1,0,0,0,1|0,0,1]=3 197 B12R1.27 COC(=O)CNC1=CC=CC=C1 BBL034685 [0,1,0,0,0,1|0,0,0]=2 198 B12R1.27 NNC(=O)CCC1=CC=CC=C1 BBL015565 [0,1,0,0,0,1|1,0,0]=3 199 B12R1.27 NNC(=O)CNC1=CC=CC=C1 BBL023232 [0,1,0,0,0,1|1,0,0]=3 200 B12R1.27 NNC(=O)CSC1=CC=CC=C1 BBL025676 [0,1,0,0,0,1|1,0,0]=3 201 B12R1.27 NNC(=O)CSC1=CC=CC=N1 BBL039495 [0,1,0,0,0,1|2,0,0]=4 202 B12R1.27 N\C(COC1=CC=CC=C1)=N/O BBL029575 [0,1,0,0,0,1|1,0,0]=3 203 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 BBL034736 [0,1,0,0,0,1|1,0,0]=3 204 B12R1.43 CC(OC1=CC=CC=C1)C(=O)Cl BBL013950 [0,1,0,0,0,1|1,0,0]=3 205 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O BBL002385 [0,1,0,0,0,1|0,0,0]=2 206 B12R1.43 CC(OC1=CC=CN=C1)C(=O)O BBL025738 [0,1,0,0,0,1|1,0,0]=3 207 B12R1.43 CC(SC1=NC=CC=C1)C(=O)O BBL037432 [0,1,0,0,0,1|1,0,0]=3 208 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 BBL013314 [0,1,0,0,0,1|1,0,0]=3 209 B12R1.43 NC(CC1=CN=CC=C1)C(=O)O BBL036665 [0,1,0,0,0,1|1,0,0]=3 210 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 BBL005466 [0,1,0,0,0,1|0,0,1]=3 211 B12R1.107 CC(=O)CC(O)C1=NC=CC=C1 BBL028836 [0,1,0,0,0,1|2,0,0]=4 212 B12R1.107 CN(CC(=O)O)C1=NC=CC=N1 BBL031420 [0,1,0,0,0,1|2,0,0]=4 213 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 BBL005127 [0,1,0,0,0,1|0,0,0]=2 214 B12R1.125 CC1=C(NCC(=O)O)C=CC=C1 BBL038113 [0,1,0,0,0,1|0,0,0]=2 215 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 BBL023122 [0,1,0,0,0,1|0,0,0]=2 216 B12R1.125 CC1=CC=CC=C1OCC(=O)Cl BBL014862 [0,1,0,0,0,1|1,0,0]=3 217 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)Cl BBL015052 [0,1,0,0,0,1|1,0,1]=4 218 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)O BBL013455 [0,1,0,0,0,1|0,0,1]=3 219 B12R1.125 NC(=S)NCC1=C(Cl)C=CC=C1 BBL031879 [0,1,0,0,0,1|1,1,0]=4 220 B12R1.125 O=C(Cl)COC1=C(Cl)C=CC=C1 BBL014866 [0,1,0,0,0,1|1,0,0]=3 221 B12R1.125 O=C(Cl)COC1=CC=CC=C1Br BBL014872 [0,1,0,0,0,1|1,0,0]=3 222 B12R1.125 O=C(Cl)COC1=CC=CC=C1F BBL014493 [0,1,0,0,0,1|1,0,0]=3 223 B12R1.125 O=C(Cl)\C=C\C1=CC=CC=C1Br BBL015050 [0,1,0,0,0,1|1,0,1]=4 224 B12R1.125 O=C(Cl)\C=C\C1=CC=CC=C1F BBL015047 [0,1,0,0,0,1|1,0,1]=4 225 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 BBL012110 [0,1,0,0,0,1|0,0,0]=2 226 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 BBL025641 [0,1,0,0,0,1|0,0,0]=2 227 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 BBL027394 [0,1,0,0,0,1|0,0,0]=2 228 B12R1.125 O=C(O)COC1=C(Br)C=CC=C1 BBL013547 [0,1,0,0,0,1|0,0,0]=2 229 B12R1.125 O=C(O)COC1=CC=CC=C1Cl BBL012541 [0,1,0,0,0,1|0,0,0]=2 230 B12R1.125 O=C(O)COC1=CC=CC=C1F BBL013906 [0,1,0,0,0,1|0,0,0]=2 231 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 BBL017155 [0,1,0,0,0,1|0,0,1]=3 232 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 BBL016304 [0,1,0,0,0,1|0,0,1]=3 233 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 BBL013048 [0,1,0,0,0,1|0,0,1]=3 234 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Cl BBL036324 [0,1,0,0,0,1|0,0,1]=3 235 B12R1.226 CC1=CC=CC(OCC(=O)Cl)=C1 BBL014168 [0,1,0,0,0,1|1,0,0]=3 236 B12R1.226 CC1=CC=CC(OCC(=O)O)=C1 BBL007979 [0,1,0,0,0,1|0,0,0]=2 237 B12R1.226 NC1=CC(OCC(=O)O)=CC=C1 BBL002631 [0,1,0,0,0,1|0,0,0]=2 238 B12R1.226 NC1=CC=CC(CCC(=O)[O-])=C1 BBL033495 [0,1,0,0,0,1|0,0,1]=3 239 B12R1.226 O=C(Cl)COC1=CC=CC(Br)=C1 BBL014964 [0,1,0,0,0,1|1,0,0]=3 240 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 BBL017173 [0,1,0,0,0,1|0,0,0]=2 241 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 BBL034639 [0,1,0,0,0,1|0,0,1]=3 242 B12R1.226 O=C(O)\C=C\C1=CC(O)=CC=C1 BBL013143 [0,1,0,0,0,1|0,0,1]=3 243 B12R1.891 CC(C)(O)CCC1=CC=CC=C1 BBL018826 [0,1,0,0,0,1|1,0,1]=4 244 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 BBL009361 [0,2,0,0,0,0|0,0,0]=2 245 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 BBL027728 [0,2,0,0,0,0|1,0,0]=3 246 B12R1.4 COC1=CC=C(NC(N)=O)C=C1 BBL000017 [0,2,0,0,0,0|2,0,0]=4 247 B12R1.19 CC(=O)NC1=CC=C(N)C(C)=C1 BBL034785 [0,2,0,0,0,0|2,0,0]=4 248 B12R1.19 CC1=C(C)C=C(CC(=O)O)C=C1 BBL020407 [0,2,0,0,0,0|0,0,0]=2 249 B12R1.20 CC(=O)N(C)C1=CC=C(N)C=C1 BBL023002 [0,2,0,0,0,0|2,0,0]=4 250 B12R1.20 NC(=O)C(N)C1=CC=C(O)C=C1 BBL032160 [0,2,0,0,0,0|1,0,0]=3 251 B12R1.20 NC(C(=O)O)C1=CC=C(I)C=C1 BBL022181 [0,2,0,0,0,0|0,0,0]=2 252 B12R1.20 NC(C(=O)O)C1=CC=C(O)C=C1 BBL014416 [0,2,0,0,0,0|0,0,0]=2 253 B12R1.49 CCC(=O)NC1=CC=C(N)C=C1 BBL000214 [0,2,0,0,0,0|2,0,0]=4 254 B12R1.49 CNC(=O)CC1=CC=C(N)C=C1 BBL023269 [0,2,0,0,0,0|1,0,0]=3 255 B12R1.49 NNC(=O)CC1=CC=C(Br)C=C1 BBL015374 [0,2,0,0,0,0|1,0,0]=3 256 B12R1.49 NNC(=O)CC1=CC=C(Cl)C=C1 BBL008411 [0,2,0,0,0,0|1,0,0]=3 257 B12R1.49 NNC(=O)CC1=CC=C(O)C=C1 BBL016572 [0,2,0,0,0,0|1,0,0]=3 258 B12R1.49 N\C(CC1=CC=C(Cl)C=C1)=N/O BBL005823 [0,2,0,0,0,0|1,0,0]=3 259 B12R1.49 O=C(CCl)NC1=CC=C(I)C=C1 BBL009401 [0,2,0,0,0,0|2,0,0]=4 260 B12R1.233 CC(=O)NC1=CC=C(C)C=C1N BBL002359 [0,2,0,0,0,0|2,0,0]=4 261 B12R1.233 CC(=O)NC1=CC=C(N)C=C1Cl BBL034240 [0,2,0,0,0,0|2,0,0]=4 262 B12R1.233 CC1=CC(C)=C(CC(=O)O)C=C1 BBL002053 [0,2,0,0,0,0|0,0,0]=2 263 B12R1.233 CC1=NC(O)=C(CC(=O)O)C=N1 BBL033153 [0,2,0,0,0,0|2,0,0]=4 264 B12R1.233 NC1=NC=C(CC(=O)O)C(O)=N1 BBL012834 [0,2,0,0,0,0|2,0,0]=4 265 B12R1.233 O=C(O)CN1C=CC(=O)NC1=O BBL001795 [0,2,0,0,0,0|2,0,0]=4 266 B12R1.34 CN(C(=O)CN)C1=CC=CC=C1 BBL011225 [0,2,0,0,0,0|2,0,0]=4 267 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 BBL027464 [0,2,0,0,0,0|0,0,0]=2 268 B12R1.124 CC1=C(C(N)C(=O)O)C=CC=C1 BBL022169 [0,2,0,0,0,0|0,0,0]=2 269 B12R1.124 NC(C(=O)O)C1=C(Cl)C=CC=C1 BBL022164 [0,2,0,0,0,0|0,0,0]=2 270 B12R1.124 NC(C(=O)O)C1=C(F)C=CC=C1 BBL022165 [0,2,0,0,0,0|0,0,0]=2 271 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 BBL012274 [0,2,0,0,0,0|0,0,0]=2 272 B12R1.478 O=C(O)C(CO)C1=CC=CC=C1 BBL010661 [0,2,0,0,0,0|0,0,0]=2 273 B12R1.32 NCCC(=O)NC1=CC=CC=C1 BBL029584 [0,2,0,0,0,0|2,0,0]=4 274 B12R1.50 CCC(=O)NC1=CC(N)=CC=C1 BBL000090 [0,2,0,0,0,0|2,0,0]=4 275 B12R1.50 CNC(=O)CC1=CC=CC(N)=C1 BBL031706 [0,2,0,0,0,0|1,0,0]=3 276 B12R1.50 NCC(=O)NC1=CC=CC(Cl)=C1 BBL011247 [0,2,0,0,0,0|2,0,0]=4 277 B12R1.118 COC(CC1=CC=CC=C1)OC BBL011496 [0,2,0,0,0,0|0,0,2]=4 278 B12R1.371 NCC(=O)NC1=CC=CC=C1Cl BBL011217 [0,2,0,0,0,0|2,0,0]=4 279 B12R1.371 NNC(=O)CC1=CC=CC=C1Cl BBL017353 [0,2,0,0,0,0|1,0,0]=3 280 B12R1.371 O=C(CCl)NC1=CC=CC=C1Br BBL013421 [0,2,0,0,0,0|2,0,0]=4 281 B12R1.371 O=C(CCl)NC1=CC=CC=C1I BBL029683 [0,2,0,0,0,0|2,0,0]=4 282 B12R1.75 COC1=CC=CC=C1CC(C)=O BBL027726 [0,2,0,0,0,0|1,0,0]=3 283 B12R1.127 CC(=O)NC1=C(Cl)C=CC(N)=C1 BBL031068 [0,2,0,0,0,0|2,0,0]=4 284 B12R1.127 CC(=O)NC1=CC(N)=CC=C1C BBL023483 [0,2,0,0,0,0|2,0,0]=4 285 B12R1.127 CC(=O)NC1=CC(N)=CC=C1O BBL032135 [0,2,0,0,0,0|2,0,0]=4 286 B12R1.127 CC1=CC=C(Cl)C(CC(=O)O)=C1 BBL020349 [0,2,0,0,0,0|0,0,0]=2 287 B12R1.127 O=C(O)CN1N=C(Cl)C=CC1=O BBL030490 [0,2,0,0,0,0|2,0,0]=4 288 B12R1.127 O=C(O)CN1NC(=O)C=CC1=O BBL029094 [0,2,0,0,0,0|2,0,0]=4 289 B12R1.151 O=S(=O)(Cl)CC1=C(Cl)C=CC=C1 BBL017942 [0,2,0,0,0,0|1,0,1]=4 290 B12R1.224 CC1=C(Cl)C=CC=C1NC(N)=O BBL004957 [0,2,0,0,0,0|2,0,0]=4 291 B12R1.101 CC1=CC(CC(=O)O)=CC(F)=C1 BBL021843 [0,2,0,0,0,0|0,0,0]=2 292 B12R1.101 O=C(O)CC1=CC(F)=CC(F)=C1 BBL027779 [0,2,0,0,0,0|0,0,0]=2 293 B10R1.66 O=C(O)CCC1=CC=CO1 BBL027515 [0,0,1,1,0,0|1,0,1]=4 294 B10R1.66 O=C(O)CCN1C=CC=C1 BBL008565 [0,0,1,1,0,0|1,0,1]=4 295 B10R1.66 O=C(O)\C=C\C1=CC=CO1 BBL023478 [0,0,1,1,0,0|1,0,1]=4 296 B10R1.66 O=C(O)\C=C\C1=CC=CS1 BBL037013 [0,0,1,1,0,0|1,0,1]=4 297 B10R2.7 C1=CC2=C(C=C1)NC=C2 BBL011739 [1,0,0,1,0,0|1,0,1]=4 298 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 BBL027621 [0,0,0,1,0,1|0,0,0]=2 299 B12R2.606 NC1=CC=C2NC(=O)NC2=C1 BBL028058 [0,1,0,1,0,0|2,0,0]=4 300 B12R2.606 NC1=CC=C2NC(=O)OC2=C1 BBL023173 [0,1,0,1,0,0|1,0,0]=3 301 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)N1 BBL009871 [0,1,0,1,0,0|1,0,0]=3 302 B12R2.606 O=C1CC2=CC(F)=CC=C2N1 BBL012822 [0,1,0,1,0,0|1,0,0]=3 303 B12R2.606 O=C1OC2=C(C=CC(O)=C2)S1 BBL027543 [0,1,0,1,0,0|1,0,0]=3 304 B12R2.606 O=C1OC2=CC=C(O)C=C2S1 BBL013168 [0,1,0,1,0,0|1,0,0]=3 305 B12R2.606 SC1=NC2=C(C=CC(Cl)=C2)O1 BBL025677 [0,1,0,1,0,0|1,1,0]=4 306 B12R2.18 NC1C(=O)NC2=CC=CC=C21 BBL010068 [0,1,0,1,0,0|1,0,0]=3 307 B12R2.32 O=CC1=NC2=CC=CC=C2N1 BBL028429 [0,1,0,1,0,0|2,0,0]=4 308 B12R2.32 OCC1CC2=CC=CC=C2O1 BBL029876 [0,1,0,1,0,0|0,0,2]=4 309 B8R1.7 CC(=O)C1=CC=CN1 BBL010104 [0,0,0,0,2,0|2,0,0]=4 310 B8R1.7 O=C(Cl)C1=CC=CS1 BBL011388 [0,0,0,0,2,0|2,0,0]=4 311 B8R1.7 O=C(O)C1=CC=CO1 BBL009679 [0,0,0,0,2,0|1,0,0]=3 312 B8R1.7 O=C(O)C1=CNN=C1 BBL104304 [0,0,0,0,2,0|2,0,0]=4 313 B8R1.7 O=C(O)C1=COC=C1 BBL025800 [0,0,0,0,2,0|1,0,0]=3 314 B12R1.252 O=C(O)CCNC1=NC=CC=N1 BBL010936 [0,0,0,0,0,2|2,0,0]=4 315 B12R1.252 O=C(O)CCSC1=CC=CC=C1 BBL000175 [0,0,0,0,0,2|0,0,0]=2 316 B12R1.252 O=C(O)CSCC1=CC=CC=C1 BBL000319 [0,0,0,0,0,2|0,0,0]=2 317 B12R1.252 O=C([O-])\C=C\SC1=CC=CC=C1 BBL011032 [0,0,0,0,0,2|0,0,2]=4