0 B10R1.18 N=C(N)CC1=CC=CC=C1 BBL029167 [0,0,0,0,0,0|3,0,0]=3 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|2,0,0]=2 3 B10R1.18 O=C(Cl)OC1=CC=CC=C1 BBL011406 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.18 O=C(O)CC1=CC=CN=C1 BBL001481 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.8 BrCCC1=CC=CC=C1 BBL027290 [1,0,0,0,0,0|2,0,1]=4 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|2,0,1]=4 9 B9R1.8 NNCC1=CC=CC=C1 BBL029077 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.8 NOCC1=CC=CC=C1 BBL040921 [1,0,0,0,0,0|3,0,0]=4 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|1,0,2]=4 13 B9R1.8 S=C=NC1=CC=CC=C1 BBL027476 [1,0,0,0,0,0|1,1,1]=4 14 B11R1.20 CC(=O)NC1=CC=C(N)C=C1 BBL008068 [0,1,0,0,0,0|1,0,0]=2 15 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 BBL005229 [0,1,0,0,0,0|1,0,0]=2 16 B11R1.20 CC(C)OC1=CC=C(N)C=C1 BBL028078 [0,1,0,0,0,0|1,0,1]=3 17 B11R1.20 CC1=CC=C(NC(=S)[S-])C=C1 BBL033930 [0,1,0,0,0,0|2,1,0]=4 18 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 BBL012281 [0,1,0,0,0,0|2,0,0]=3 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|2,0,0]=3 21 B11R1.20 NC1=CC=C(CC(O)=S)C=C1 BBL002831 [0,1,0,0,0,0|2,0,1]=4 22 B11R1.20 NC1=CC=C(OC(F)F)C=C1 BBL038040 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 BBL027456 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 BBL016492 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 BBL028097 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.40 CNC(=S)NC1=CC=CC=C1 BBL023221 [0,1,0,0,0,0|1,1,0]=3 27 B11R1.40 COC(=O)CC1=CC=CC=C1 BBL010506 [0,1,0,0,0,0|1,0,0]=2 28 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 BBL012658 [0,1,0,0,0,0|1,0,0]=2 29 B11R1.40 NCC(=O)NC1=CC=NC=C1 BBL007617 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.40 NCC(=O)NC1=NC=CC=C1 BBL011243 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.40 NNC(=O)CC1=CC=CC=C1 BBL008394 [0,1,0,0,0,0|2,0,0]=3 32 B11R1.40 NNC(=O)C[N+]1=CC=CC=C1 BBL018745 [0,1,0,0,0,0|3,0,0]=4 33 B11R1.40 NNC(=O)NC1=CC=CC=C1 BBL036427 [0,1,0,0,0,0|2,0,0]=3 34 B11R1.40 N\C(CC1=CC=CC=C1)=N/O BBL011916 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.40 [C@H](N)(CO)CC1=CC=CC=C1 BBL010795 [0,1,0,0,0,0|2,0,1]=4 36 B11R1.86 CC(=O)NC1=CC=CC=C1N BBL002386 [0,1,0,0,0,0|1,0,0]=2 37 B11R1.86 CC(C)SC1=CC=CC=C1N BBL034974 [0,1,0,0,0,0|1,1,1]=4 38 B11R1.86 CC1=CC=CC=C1NC(N)=S BBL027968 [0,1,0,0,0,0|2,1,0]=4 39 B11R1.86 NC(=O)CC1=CC=CC=C1O BBL003575 [0,1,0,0,0,0|2,0,0]=3 40 B11R1.86 NC(=S)NC1=CC=CC=C1O BBL008029 [0,1,0,0,0,0|2,1,0]=4 41 B11R1.86 O=C(O)CN1C=CC=CC1=O BBL010063 [0,1,0,0,0,0|3,0,0]=4 42 B11R1.157 CC(=O)NC1=CC(Br)=CC=C1 BBL037290 [0,1,0,0,0,0|1,0,0]=2 43 B11R1.157 CC(=O)NC1=CC=CC(N)=C1 BBL009447 [0,1,0,0,0,0|1,0,0]=2 44 B11R1.157 CC(=O)NC1=NC(Cl)=CN=C1 BBL029206 [0,1,0,0,0,0|3,0,0]=4 45 B11R1.157 CC(C)OC1=CC=CC(N)=C1 BBL036331 [0,1,0,0,0,0|1,0,1]=3 46 B11R1.157 CC1=CC(NC(N)=S)=CC=C1 BBL023549 [0,1,0,0,0,0|2,1,0]=4 47 B11R1.157 NC(=O)CC1=CC=CC(N)=C1 BBL032017 [0,1,0,0,0,0|2,0,0]=3 48 B11R1.157 NC(=O)NC1=CC=CC(O)=C1 BBL007869 [0,1,0,0,0,0|2,0,0]=3 49 B11R1.157 NC(=S)NC1=CC(Cl)=CC=C1 BBL027871 [0,1,0,0,0,0|2,1,0]=4 50 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 BBL011462 [0,1,0,0,0,0|3,0,0]=4 51 B11R2.10 NC1=NC2=CC=CC=C2N1 BBL033933 [0,0,0,1,0,0|3,0,0]=4 52 B11R2.10 O=C1NC2=C(C=CC=C2)O1 BBL027537 [0,0,0,1,0,0|1,0,0]=2 53 B11R2.10 O=C1NC2=C(N=CC=C2)N1 BBL028669 [0,0,0,1,0,0|3,0,0]=4 54 B11R2.10 S=C1NC2=C(C=CC=C2)N1 BBL023512 [0,0,0,1,0,0|2,1,0]=4 55 B11R2.10 SC1=NC2=C(C=CC=C2)N1 BBL011714 [0,0,0,1,0,0|2,1,0]=4 56 B9R1.6 CC(=O)C1=NC=CN=C1 BBL037027 [0,0,0,0,1,0|2,0,0]=3 57 B9R1.6 N=C(N)C1=CC=CC=C1 BBL012141 [0,0,0,0,1,0|2,0,0]=3 58 B9R1.6 N=C(N)C1=CC=NC=C1 BBL013969 [0,0,0,0,1,0|3,0,0]=4 59 B9R1.6 N=C(N)C1=CN=CC=C1 BBL013274 [0,0,0,0,1,0|3,0,0]=4 60 B9R1.6 NC(=S)C1=NC=CC=C1 BBL100340 [0,0,0,0,1,0|2,1,0]=4 61 B9R1.6 O=C(Cl)C1=CC=CN=C1 BBL012969 [0,0,0,0,1,0|2,0,0]=3 62 B9R1.6 O=C(O)C1=CC=CN=C1 BBL037343 [0,0,0,0,1,0|2,0,0]=3 63 B9R1.6 O=C([O-])C1=NC=CC=C1 BBL033863 [0,0,0,0,1,0|2,0,0]=3 64 B9R1.6 [NH+]1=C(C(=O)Cl)C=CC=C1 BBL035642 [0,0,0,0,1,0|2,0,0]=3 65 B9R1.13 CC(=O)CN1C=CC=N1 BBL040015 [0,0,0,0,1,0|3,0,0]=4 66 B9R1.13 CC(=O)NC1=CC=NN1 BBL011213 [0,0,0,0,1,0|3,0,0]=4 67 B9R1.13 O=C(Cl)CC1=CC=CS1 BBL027527 [0,0,0,0,1,0|3,0,0]=4 68 B9R1.13 O=C(O)CC1=CSC=C1 BBL025878 [0,0,0,0,1,0|3,0,0]=4 69 B11R1.91 CC(=O)CCC1=CC=CC=C1 BBL011439 [0,0,0,0,0,1|1,0,0]=2 70 B11R1.91 CC(O)C#CC1=CC=CC=C1 BBL028011 [0,0,0,0,0,1|1,0,2]=4 71 B11R1.91 NC(=O)NCC1=CC=CC=C1 BBL013146 [0,0,0,0,0,1|2,0,0]=3 72 B11R1.91 NC(=S)NNC1=CC=CC=C1 BBL010670 [0,0,0,0,0,1|2,1,0]=4 73 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 BBL011517 [0,0,0,0,0,1|1,0,0]=2 74 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 BBL011393 [0,0,0,0,0,1|2,0,0]=3 75 B11R1.91 O=C(O)CCC1=CC=CC=C1 BBL011572 [0,0,0,0,0,1|2,0,0]=3 76 B11R1.91 O=C(O)CNC1=CC=CC=C1 BBL012003 [0,0,0,0,0,1|2,0,0]=3 77 B11R1.91 O=C(O)COC1=CC=CC=C1 BBL015276 [0,0,0,0,0,1|1,0,0]=2 78 B11R1.91 O=C(O)COC1=CN=CC=C1 BBL009657 [0,0,0,0,0,1|2,0,0]=3 79 B11R1.91 O=C(O)CSC1=CC=CC=C1 BBL000591 [0,0,0,0,0,1|1,1,0]=3 80 B11R1.91 O=C(O)CSC1=CC=NC=C1 BBL001462 [0,0,0,0,0,1|2,1,0]=4 81 B11R1.91 O=C(O)CSC1=NC=CC=C1 BBL041076 [0,0,0,0,0,1|2,1,0]=4 82 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 BBL036895 [0,0,0,0,0,1|2,0,0]=3 83 B8R1.2 C=CC1=CC=CC=N1 BBL027578 [2,0,0,0,0,0|1,0,1]=4 84 B8R1.2 C=CC1=CC=NC=C1 BBL027584 [2,0,0,0,0,0|1,0,1]=4 85 B8R1.2 COC1=NC=CC=C1 BBL011495 [2,0,0,0,0,0|1,0,0]=3 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|0,0,2]=4 90 B8R1.2 [NH3+]CC1=CC=CC=C1 BBL002893 [2,0,0,0,0,0|1,0,1]=4 91 B10R1.1 COCC1=CC=C(N)C=C1 BBL030690 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.1 O=C=NC1=CC=C(Br)C=C1 BBL037653 [1,1,0,0,0,0|1,0,1]=4 93 B10R1.1 O=C=NC1=CC=C(Cl)C=C1 BBL012220 [1,1,0,0,0,0|1,0,1]=4 94 B10R1.4 C=CCC1=C(O)C=CC=C1 BBL027374 [1,1,0,0,0,0|1,0,1]=4 95 B10R1.4 O=C=NC1=CC=CC=C1Br BBL037642 [1,1,0,0,0,0|1,0,1]=4 96 B10R1.10 CNCC1=CC(N)=CC=C1 BBL011550 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.10 O=C=NC1=CC(Br)=CC=C1 BBL037667 [1,1,0,0,0,0|1,0,1]=4 98 B10R1.10 O=C=NC1=CC=CC(Cl)=C1 BBL013128 [1,1,0,0,0,0|1,0,1]=4 99 B10R1.15 CCC(=O)C1=CC=CC=C1 BBL027754 [1,1,0,0,0,0|1,0,1]=4 100 B10R1.15 COC(=O)C1=CC=CC=C1 BBL010502 [1,1,0,0,0,0|2,0,0]=4 101 B10R1.17 BrCCCC1=CC=CC=C1 BBL027292 [1,1,0,0,0,0|1,0,1]=4 102 B10R1.17 CCCNC1=CC=CC=C1 BBL012082 [1,1,0,0,0,0|1,0,1]=4 103 B10R1.17 ClC\C=C\C1=CC=CC=C1 BBL011410 [1,1,0,0,0,0|1,0,0]=3 104 B10R1.17 NCCOC1=CC=CC=C1 BBL028054 [1,1,0,0,0,0|0,0,1]=3 105 B10R1.17 OCCNC1=CC=CC=C1 BBL011612 [1,1,0,0,0,0|1,0,1]=4 106 B10R1.17 OCCOC1=CC=CC=C1 BBL027410 [1,1,0,0,0,0|0,0,1]=3 107 B10R1.17 OC\C=C\C1=CC=CC=C1 BBL027413 [1,1,0,0,0,0|1,0,0]=3 108 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 BBL013140 [0,1,0,0,1,0|0,0,0]=2 109 B10R1.13 CC(N)C1=CC=C(Br)C=C1 BBL034684 [0,1,0,0,1,0|1,0,1]=4 110 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 BBL017845 [0,1,0,0,1,0|1,0,1]=4 111 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 BBL027306 [0,1,0,0,1,0|1,0,0]=3 112 B10R1.13 CC1=CC=C(C(N)=O)C=N1 BBL100086 [0,1,0,0,1,0|2,0,0]=4 113 B10R1.13 N=C(N)C1=CC=C(F)C=C1 BBL013947 [0,1,0,0,1,0|2,0,0]=4 114 B10R1.13 N=C(N)C1=CC=C(N)C=C1 BBL007616 [0,1,0,0,1,0|2,0,0]=4 115 B10R1.13 NC(=O)C1=CC=C(N)C=C1 BBL011581 [0,1,0,0,1,0|1,0,0]=3 116 B10R1.13 NC(=S)C1=CC=C(O)C=C1 BBL010014 [0,1,0,0,1,0|1,1,0]=4 117 B10R1.13 NC1=NC=C(C(=O)O)C=C1 BBL018585 [0,1,0,0,1,0|2,0,0]=4 118 B10R1.13 O=C(Cl)C1=CC=C(Cl)C=C1 BBL011385 [0,1,0,0,1,0|1,0,0]=3 119 B10R1.13 O=C(O)C1=CC=C(O)C=C1 BBL011981 [0,1,0,0,1,0|1,0,0]=3 120 B10R1.13 O=C1C=CC(C(=O)O)=CN1 BBL001444 [0,1,0,0,1,0|2,0,0]=4 121 B10R1.13 O=C1C=CC(C(=O)O)=CO1 BBL009090 [0,1,0,0,1,0|2,0,0]=4 122 B10R1.13 O=[N+]([O-])C1=CC=C(Cl)C=C1 BBL013182 [0,1,0,0,1,0|2,0,0]=4 123 B10R1.13 O=[N+]([O-])C1=CC=C(F)C=C1 BBL027638 [0,1,0,0,1,0|2,0,0]=4 124 B10R1.61 CC(=O)C1=C(O)C=CC=C1 BBL012126 [0,1,0,0,1,0|0,0,0]=2 125 B10R1.61 CC(N)C1=C(Cl)C=CC=C1 BBL017883 [0,1,0,0,1,0|1,0,1]=4 126 B10R1.61 NC(=O)C1=C(O)C=CC=C1 BBL016007 [0,1,0,0,1,0|1,0,0]=3 127 B10R1.61 NC(=O)C1=C(O)C=CC=N1 BBL009297 [0,1,0,0,1,0|2,0,0]=4 128 B10R1.61 NC(=O)C1=CC=CC=C1N BBL012278 [0,1,0,0,1,0|1,0,0]=3 129 B10R1.61 NC(=S)C1=CC=CC=C1N BBL018382 [0,1,0,0,1,0|1,1,0]=4 130 B10R1.61 NC(C)C1=C(C)C=CC=C1 BBL036386 [0,1,0,0,1,0|1,0,1]=4 131 B10R1.61 NC1=CC=CC=C1C(=O)O BBL025605 [0,1,0,0,1,0|1,0,0]=3 132 B10R1.61 NC1=NC=CC=C1C(=O)O BBL001472 [0,1,0,0,1,0|2,0,0]=4 133 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 BBL025932 [0,1,0,0,1,0|1,0,0]=3 134 B10R1.61 O=C(O)C1=CC=CN=C1O BBL001459 [0,1,0,0,1,0|2,0,0]=4 135 B10R1.61 O=C(O)C1=CC=CN=C1S BBL005413 [0,1,0,0,1,0|2,0,0]=4 136 B10R1.61 O=C(O)C1=CC=CNC1=O BBL009636 [0,1,0,0,1,0|2,0,0]=4 137 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 BBL000698 [0,1,0,0,1,0|1,0,0]=3 138 B10R1.113 CC(=O)C1=CC=CC(O)=C1 BBL010535 [0,1,0,0,1,0|0,0,0]=2 139 B10R1.113 CC(N)C1=CC(O)=CC=C1 BBL023566 [0,1,0,0,1,0|1,0,1]=4 140 B10R1.113 CC(N)C1=CC=CC(Cl)=C1 BBL017910 [0,1,0,0,1,0|1,0,1]=4 141 B10R1.113 CC1=CC=CC(C(=O)O)=N1 BBL023748 [0,1,0,0,1,0|2,0,0]=4 142 B10R1.113 NC(=O)C1=CC(Cl)=NC=C1 BBL028416 [0,1,0,0,1,0|2,0,0]=4 143 B10R1.113 NC(=O)C1=CC(N)=CC=C1 BBL027669 [0,1,0,0,1,0|1,0,0]=3 144 B10R1.113 NC(=O)C1=NC(Cl)=CC=C1 BBL028889 [0,1,0,0,1,0|2,0,0]=4 145 B10R1.113 NC1=CC(C(=O)O)=CN=C1 BBL011806 [0,1,0,0,1,0|2,0,0]=4 146 B10R1.113 NC1=CC=CC(C(=O)O)=C1 BBL037339 [0,1,0,0,1,0|1,0,0]=3 147 B10R1.113 NC1=NC=CC(C(=O)O)=C1 BBL009435 [0,1,0,0,1,0|2,0,0]=4 148 B10R1.113 O=C(O)C1=CC(Br)=CC=C1 BBL025793 [0,1,0,0,1,0|1,0,0]=3 149 B10R1.113 O=C(O)C1=CC(O)=CC=C1 BBL011983 [0,1,0,0,1,0|1,0,0]=3 150 B10R1.113 O=C(O)C1=CC(O)=CN=C1 BBL010930 [0,1,0,0,1,0|2,0,0]=4 151 B10R1.113 O=C(O)C1=CC=C[N+]([O-])=C1 BBL012227 [0,1,0,0,1,0|2,0,0]=4 152 B10R1.113 O=C(O)C1=NC(O)=CC=C1 BBL010816 [0,1,0,0,1,0|2,0,0]=4 153 B10R1.27 CCC(=O)CC1=CC=CO1 BBL029638 [0,1,0,0,1,0|2,0,0]=4 154 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 BBL009822 [0,1,0,0,0,1|1,0,0]=3 155 B12R1.21 CC(=O)\C=C\C1=CC=[N+](C)C=C1 BBL028837 [0,1,0,0,0,1|2,0,0]=4 156 B12R1.21 CC1=CC=C(OCC(=O)Cl)C=C1 BBL013466 [0,1,0,0,0,1|1,0,0]=3 157 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 BBL014127 [0,1,0,0,0,1|1,0,0]=3 158 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 BBL000595 [0,1,0,0,0,1|1,1,0]=4 159 B12R1.21 CC1=CC=C(\C=C\C(=O)Cl)C=C1 BBL015035 [0,1,0,0,0,1|2,0,0]=4 160 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 BBL037011 [0,1,0,0,0,1|2,0,0]=4 161 B12R1.21 NC(=O)COC1=CC=C(N)C=C1 BBL012245 [0,1,0,0,0,1|1,0,0]=3 162 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 BBL002117 [0,1,0,0,0,1|2,0,0]=4 163 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 BBL013866 [0,1,0,0,0,1|1,0,0]=3 164 B12R1.21 O=C(Cl)COC1=CC=C(Br)C=C1 BBL014864 [0,1,0,0,0,1|1,0,0]=3 165 B12R1.21 O=C(Cl)COC1=CC=C(F)C=C1 BBL013921 [0,1,0,0,0,1|1,0,0]=3 166 B12R1.21 O=C(Cl)\C=C\C1=CC=C(Br)C=C1 BBL015034 [0,1,0,0,0,1|2,0,0]=4 167 B12R1.21 O=C(Cl)\C=C\C1=CC=C(F)C=C1 BBL015033 [0,1,0,0,0,1|2,0,0]=4 168 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 BBL025794 [0,1,0,0,0,1|2,0,0]=4 169 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 BBL012597 [0,1,0,0,0,1|2,0,0]=4 170 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 BBL008613 [0,1,0,0,0,1|2,0,0]=4 171 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 BBL007585 [0,1,0,0,0,1|1,0,0]=3 172 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 BBL000180 [0,1,0,0,0,1|1,1,0]=4 173 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 BBL037328 [0,1,0,0,0,1|2,0,0]=4 174 B12R1.21 O=C(O)\C=C\C1=CC=C(I)C=C1 BBL035954 [0,1,0,0,0,1|2,0,0]=4 175 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 BBL012226 [0,1,0,0,0,1|2,0,0]=4 176 B12R1.21 OC(=O)\C=C\C1=CC=C(Cl)C=C1 BBL036957 [0,1,0,0,0,1|2,0,0]=4 177 B12R1.27 COC(=O)CNC1=CC=CC=C1 BBL034685 [0,1,0,0,0,1|1,0,0]=3 178 B12R1.27 NNC(=O)CCC1=CC=CC=C1 BBL015565 [0,1,0,0,0,1|2,0,0]=4 179 B12R1.27 NNC(=O)CNC1=CC=CC=C1 BBL023232 [0,1,0,0,0,1|2,0,0]=4 180 B12R1.27 NNC(=O)CSC1=CC=CC=C1 BBL025676 [0,1,0,0,0,1|1,1,0]=4 181 B12R1.27 N\C(COC1=CC=CC=C1)=N/O BBL029575 [0,1,0,0,0,1|1,0,1]=4 182 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 BBL034736 [0,1,0,0,0,1|0,0,0]=2 183 B12R1.43 CC(OC1=CC=CC=C1)C(=O)Cl BBL013950 [0,1,0,0,0,1|1,0,0]=3 184 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O BBL002385 [0,1,0,0,0,1|1,0,0]=3 185 B12R1.43 CC(OC1=CC=CN=C1)C(=O)O BBL025738 [0,1,0,0,0,1|2,0,0]=4 186 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 BBL013314 [0,1,0,0,0,1|2,0,0]=4 187 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 BBL005466 [0,1,0,0,0,1|2,0,0]=4 188 B12R1.107 CC(=O)CC(O)C1=NC=CC=C1 BBL028836 [0,1,0,0,0,1|2,0,0]=4 189 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 BBL005127 [0,1,0,0,0,1|2,0,0]=4 190 B12R1.125 CC1=C(NCC(=O)O)C=CC=C1 BBL038113 [0,1,0,0,0,1|2,0,0]=4 191 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 BBL023122 [0,1,0,0,0,1|1,0,0]=3 192 B12R1.125 CC1=CC=CC=C1OCC(=O)Cl BBL014862 [0,1,0,0,0,1|1,0,0]=3 193 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)Cl BBL015052 [0,1,0,0,0,1|2,0,0]=4 194 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)O BBL013455 [0,1,0,0,0,1|2,0,0]=4 195 B12R1.125 O=C(Cl)COC1=C(Cl)C=CC=C1 BBL014866 [0,1,0,0,0,1|1,0,0]=3 196 B12R1.125 O=C(Cl)COC1=CC=CC=C1Br BBL014872 [0,1,0,0,0,1|1,0,0]=3 197 B12R1.125 O=C(Cl)COC1=CC=CC=C1F BBL014493 [0,1,0,0,0,1|1,0,0]=3 198 B12R1.125 O=C(Cl)\C=C\C1=CC=CC=C1Br BBL015050 [0,1,0,0,0,1|2,0,0]=4 199 B12R1.125 O=C(Cl)\C=C\C1=CC=CC=C1F BBL015047 [0,1,0,0,0,1|2,0,0]=4 200 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 BBL012110 [0,1,0,0,0,1|2,0,0]=4 201 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 BBL025641 [0,1,0,0,0,1|2,0,0]=4 202 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 BBL027394 [0,1,0,0,0,1|2,0,0]=4 203 B12R1.125 O=C(O)COC1=C(Br)C=CC=C1 BBL013547 [0,1,0,0,0,1|1,0,0]=3 204 B12R1.125 O=C(O)COC1=CC=CC=C1Cl BBL012541 [0,1,0,0,0,1|1,0,0]=3 205 B12R1.125 O=C(O)COC1=CC=CC=C1F BBL013906 [0,1,0,0,0,1|1,0,0]=3 206 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 BBL017155 [0,1,0,0,0,1|2,0,0]=4 207 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 BBL016304 [0,1,0,0,0,1|2,0,0]=4 208 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 BBL013048 [0,1,0,0,0,1|2,0,0]=4 209 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Cl BBL036324 [0,1,0,0,0,1|2,0,0]=4 210 B12R1.226 CC1=CC=CC(OCC(=O)Cl)=C1 BBL014168 [0,1,0,0,0,1|1,0,0]=3 211 B12R1.226 CC1=CC=CC(OCC(=O)O)=C1 BBL007979 [0,1,0,0,0,1|1,0,0]=3 212 B12R1.226 NC1=CC(OCC(=O)O)=CC=C1 BBL002631 [0,1,0,0,0,1|1,0,0]=3 213 B12R1.226 NC1=CC=CC(CCC(=O)[O-])=C1 BBL033495 [0,1,0,0,0,1|2,0,0]=4 214 B12R1.226 O=C(Cl)COC1=CC=CC(Br)=C1 BBL014964 [0,1,0,0,0,1|1,0,0]=3 215 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 BBL017173 [0,1,0,0,0,1|1,0,0]=3 216 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 BBL034639 [0,1,0,0,0,1|2,0,0]=4 217 B12R1.226 O=C(O)\C=C\C1=CC(O)=CC=C1 BBL013143 [0,1,0,0,0,1|2,0,0]=4 218 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 BBL028041 [0,2,0,0,0,0|1,0,1]=4 219 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 BBL009361 [0,2,0,0,0,0|2,0,0]=4 220 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 BBL027728 [0,2,0,0,0,0|1,0,0]=3 221 B12R1.4 COC1=CC=C(NC(N)=O)C=C1 BBL000017 [0,2,0,0,0,0|2,0,0]=4 222 B12R1.19 CC(=O)NC1=CC=C(N)C(C)=C1 BBL034785 [0,2,0,0,0,0|1,0,0]=3 223 B12R1.19 CC1=C(C)C=C(CC(=O)O)C=C1 BBL020407 [0,2,0,0,0,0|2,0,0]=4 224 B12R1.20 CC(=O)N(C)C1=CC=C(N)C=C1 BBL023002 [0,2,0,0,0,0|1,0,0]=3 225 B12R1.20 NC(=O)C(N)C1=CC=C(O)C=C1 BBL032160 [0,2,0,0,0,0|2,0,0]=4 226 B12R1.20 NC(C(=O)O)C1=CC=C(I)C=C1 BBL022181 [0,2,0,0,0,0|2,0,0]=4 227 B12R1.20 NC(C(=O)O)C1=CC=C(O)C=C1 BBL014416 [0,2,0,0,0,0|2,0,0]=4 228 B12R1.49 CC1=CC=C(NC(=O)CCl)N=C1 BBL018042 [0,2,0,0,0,0|2,0,0]=4 229 B12R1.49 CCC(=O)NC1=CC=C(N)C=C1 BBL000214 [0,2,0,0,0,0|1,0,0]=3 230 B12R1.49 CNC(=O)CC1=CC=C(N)C=C1 BBL023269 [0,2,0,0,0,0|1,0,0]=3 231 B12R1.49 CNC(=S)NC1=CC=C(C)C=C1 BBL023901 [0,2,0,0,0,0|1,1,0]=4 232 B12R1.49 NNC(=O)CC1=CC=C(Br)C=C1 BBL015374 [0,2,0,0,0,0|2,0,0]=4 233 B12R1.49 NNC(=O)CC1=CC=C(Cl)C=C1 BBL008411 [0,2,0,0,0,0|2,0,0]=4 234 B12R1.49 NNC(=O)CC1=CC=C(O)C=C1 BBL016572 [0,2,0,0,0,0|2,0,0]=4 235 B12R1.49 O=C(CCl)NC1=CC=C(I)C=C1 BBL009401 [0,2,0,0,0,0|1,0,0]=3 236 B12R1.233 CC(=O)NC1=CC=C(C)C=C1N BBL002359 [0,2,0,0,0,0|1,0,0]=3 237 B12R1.233 CC(=O)NC1=CC=C(N)C=C1Cl BBL034240 [0,2,0,0,0,0|1,0,0]=3 238 B12R1.233 CC1=CC(C)=C(CC(=O)O)C=C1 BBL002053 [0,2,0,0,0,0|2,0,0]=4 239 B12R1.34 CN(C(=O)CN)C1=CC=CC=C1 BBL011225 [0,2,0,0,0,0|1,0,0]=3 240 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 BBL027464 [0,2,0,0,0,0|1,0,0]=3 241 B12R1.124 CC1=C(C(N)C(=O)O)C=CC=C1 BBL022169 [0,2,0,0,0,0|2,0,0]=4 242 B12R1.124 NC(C(=O)O)C1=C(Cl)C=CC=C1 BBL022164 [0,2,0,0,0,0|2,0,0]=4 243 B12R1.124 NC(C(=O)O)C1=C(F)C=CC=C1 BBL022165 [0,2,0,0,0,0|2,0,0]=4 244 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 BBL012274 [0,2,0,0,0,0|2,0,0]=4 245 B12R1.478 O=C(O)C(CO)C1=CC=CC=C1 BBL010661 [0,2,0,0,0,0|2,0,0]=4 246 B12R1.32 CNCC(=O)NC1=CC=CN=C1 BBL011128 [0,2,0,0,0,0|2,0,0]=4 247 B12R1.32 NCCC(=O)NC1=CC=CC=C1 BBL029584 [0,2,0,0,0,0|1,0,0]=3 248 B12R1.32 NCCC(=O)NC1=CC=NC=C1 BBL011278 [0,2,0,0,0,0|2,0,0]=4 249 B12R1.32 NCCC(=O)NC1=CN=CC=C1 BBL011272 [0,2,0,0,0,0|2,0,0]=4 250 B12R1.32 NCCC(=O)NC1=NC=CC=C1 BBL011235 [0,2,0,0,0,0|2,0,0]=4 251 B12R1.50 CCC(=O)NC1=CC(N)=CC=C1 BBL000090 [0,2,0,0,0,0|1,0,0]=3 252 B12R1.50 CNC(=O)CC1=CC=CC(N)=C1 BBL031706 [0,2,0,0,0,0|1,0,0]=3 253 B12R1.50 CNC(=S)NC1=CC=CC(C)=C1 BBL024222 [0,2,0,0,0,0|1,1,0]=4 254 B12R1.50 NCC(=O)NC1=CC=CC(Cl)=C1 BBL011247 [0,2,0,0,0,0|1,0,0]=3 255 B12R1.371 NCC(=O)NC1=CC=CC=C1Cl BBL011217 [0,2,0,0,0,0|1,0,0]=3 256 B12R1.371 NNC(=O)CC1=CC=CC=C1Cl BBL017353 [0,2,0,0,0,0|2,0,0]=4 257 B12R1.371 O=C(CCl)NC1=CC=CC=C1Br BBL013421 [0,2,0,0,0,0|1,0,0]=3 258 B12R1.371 O=C(CCl)NC1=CC=CC=C1I BBL029683 [0,2,0,0,0,0|1,0,0]=3 259 B12R1.75 CC(C)OC1=C(C=O)C=CC=C1 BBL023174 [0,2,0,0,0,0|1,0,1]=4 260 B12R1.75 CC(C)OC1=CC=CC=C1CN BBL011262 [0,2,0,0,0,0|1,0,1]=4 261 B12R1.75 COC1=CC=CC=C1CC(C)=O BBL027726 [0,2,0,0,0,0|1,0,0]=3 262 B12R1.127 CC(=O)NC1=C(Cl)C=CC(N)=C1 BBL031068 [0,2,0,0,0,0|1,0,0]=3 263 B12R1.127 CC(=O)NC1=CC(N)=CC=C1C BBL023483 [0,2,0,0,0,0|1,0,0]=3 264 B12R1.127 CC(=O)NC1=CC(N)=CC=C1O BBL032135 [0,2,0,0,0,0|1,0,0]=3 265 B12R1.127 CC1=CC=C(Cl)C(CC(=O)O)=C1 BBL020349 [0,2,0,0,0,0|2,0,0]=4 266 B12R1.224 CC1=C(Cl)C=CC=C1NC(N)=O BBL004957 [0,2,0,0,0,0|2,0,0]=4 267 B12R1.101 CC1=CC(CC(=O)O)=CC(F)=C1 BBL021843 [0,2,0,0,0,0|2,0,0]=4 268 B12R1.101 O=C(O)CC1=CC(F)=CC(F)=C1 BBL027779 [0,2,0,0,0,0|2,0,0]=4 269 B12R1.438 CC(C)OC1=CC=CC(CN)=C1 BBL023365 [0,2,0,0,0,0|1,0,1]=4 270 B10R2.7 C1=CC2=C(C=C1)NC=C2 BBL011739 [1,0,0,1,0,0|1,0,1]=4 271 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 BBL027621 [0,0,0,1,0,1|2,0,0]=4 272 B12R2.606 CC1=NC2=C(C=CC(N)=C2)N1 BBL012602 [0,1,0,1,0,0|2,0,0]=4 273 B12R2.606 NC1=CC=C2NC(=O)NC2=C1 BBL028058 [0,1,0,1,0,0|2,0,0]=4 274 B12R2.606 NC1=CC=C2NC(=O)OC2=C1 BBL023173 [0,1,0,1,0,0|1,0,0]=3 275 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)N1 BBL009871 [0,1,0,1,0,0|1,0,0]=3 276 B12R2.606 O=C1CC2=CC(F)=CC=C2N1 BBL012822 [0,1,0,1,0,0|1,0,0]=3 277 B12R2.606 O=C1OC2=C(C=CC(O)=C2)S1 BBL027543 [0,1,0,1,0,0|1,0,0]=3 278 B12R2.606 O=C1OC2=CC=C(O)C=C2S1 BBL013168 [0,1,0,1,0,0|1,0,0]=3 279 B12R2.606 SC1=NC2=C(C=CC(Cl)=C2)O1 BBL025677 [0,1,0,1,0,0|1,1,0]=4 280 B12R2.18 CN1C2=CC=CC=C2N=C1N BBL013458 [0,1,0,1,0,0|2,0,0]=4 281 B12R2.18 NC1C(=O)NC2=CC=CC=C21 BBL010068 [0,1,0,1,0,0|1,0,0]=3 282 B12R2.32 NCC1=NC2=CC=CC=C2N1 BBL007911 [0,1,0,1,0,0|2,0,0]=4 283 B12R2.32 O=CC1=NC2=CC=CC=C2N1 BBL028429 [0,1,0,1,0,0|2,0,0]=4 284 B12R2.32 OCC1CC2=CC=CC=C2O1 BBL029876 [0,1,0,1,0,0|0,0,2]=4 285 B12R2.32 SCC1=NC2=CC=CC=C2N1 BBL012296 [0,1,0,1,0,0|2,0,0]=4 286 B8R1.7 CC(=O)C1=CC=CN1 BBL010104 [0,0,0,0,2,0|1,0,0]=3 287 B8R1.7 O=C(Cl)C1=CC=CS1 BBL011388 [0,0,0,0,2,0|2,0,0]=4 288 B8R1.7 O=C(O)C1=CC=CO1 BBL009679 [0,0,0,0,2,0|2,0,0]=4 289 B8R1.7 O=C(O)C1=COC=C1 BBL025800 [0,0,0,0,2,0|2,0,0]=4 290 B12R1.252 O=C(O)CCSC1=CC=CC=C1 BBL000175 [0,0,0,0,0,2|1,1,0]=4 291 B12R1.252 O=C(O)CSCC1=CC=CC=C1 BBL000319 [0,0,0,0,0,2|1,1,0]=4 292 B12R1.252 O=C([O-])\C=C\SC1=CC=CC=C1 BBL011032 [0,0,0,0,0,2|1,1,0]=4