0 B10R1.18 N=C(N)CC1=CC=CC=C1 BBL029167 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.18 NC(=S)NC1=CC=CC=C1 BBL013021 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.18 O=C(Cl)CC1=CC=CC=C1 BBL011387 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.18 O=C(Cl)OC1=CC=CC=C1 BBL011406 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.18 O=C(O)CC1=CC=CN=C1 BBL001481 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.8 BrCCC1=CC=CC=C1 BBL027290 [1,0,0,0,0,0|1,0,0]=2 6 B9R1.8 CNCC1=NC=CC=C1 BBL029574 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.8 COCC1=CC=CC=C1 BBL011461 [1,0,0,0,0,0|1,0,0]=2 8 B9R1.8 ClCCC1=CC=CC=C1 BBL027318 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.8 NNCC1=CC=CC=C1 BBL029077 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.8 NOCC1=CC=CC=C1 BBL040921 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.8 O=C=NC1=CC=CC=C1 BBL013184 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.8 OCCC1=CC=CC=C1 BBL036905 [1,0,0,0,0,0|1,0,0]=2 13 B9R1.8 OCCC1=NC=CC=C1 BBL027580 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.8 S=C=NC1=CC=CC=C1 BBL027476 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.20 CC(=O)NC1=CC=C(N)C=C1 BBL008068 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 BBL005229 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.20 CC(C)OC1=CC=C(N)C=C1 BBL028078 [0,1,0,0,0,0|2,0,0]=3 18 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 BBL012281 [0,1,0,0,0,0|1,0,1]=3 19 B11R1.20 NC(=S)NC1=CC=C(O)C=C1 BBL027969 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 BBL018950 [0,1,0,0,0,0|2,0,1]=4 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|3,0,0]=4 23 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 BBL027456 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 BBL016492 [0,1,0,0,0,0|2,0,1]=4 25 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 BBL028097 [0,1,0,0,0,0|2,0,1]=4 26 B11R1.40 CNC(=S)NC1=CC=CC=C1 BBL023221 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.40 COC(=O)CC1=CC=CC=C1 BBL010506 [0,1,0,0,0,0|1,0,1]=3 28 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 BBL012658 [0,1,0,0,0,0|1,0,2]=4 29 B11R1.40 NNC(=O)CC1=CC=CC=C1 BBL008394 [0,1,0,0,0,0|1,0,1]=3 30 B11R1.40 NNC(=O)C[N+]1=CC=CC=C1 BBL018745 [0,1,0,0,0,0|2,0,1]=4 31 B11R1.40 NNC(=O)NC1=CC=CC=C1 BBL036427 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.40 N\C(CC1=CC=CC=C1)=N/O BBL011916 [0,1,0,0,0,0|1,0,1]=3 33 B11R1.40 [C@H](N)(CO)CC1=CC=CC=C1 BBL010795 [0,1,0,0,0,0|0,0,0]=1 34 B11R1.86 CC(=O)NC1=CC=CC=C1N BBL002386 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.86 CC(C)SC1=CC=CC=C1N BBL034974 [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|2,0,1]=4 37 B11R1.86 NC(=O)CC1=CC=CC=C1O BBL003575 [0,1,0,0,0,0|1,0,1]=3 38 B11R1.86 NC(=S)NC1=CC=CC=C1O BBL008029 [0,1,0,0,0,0|2,0,1]=4 39 B11R1.157 CC(=O)NC1=CC(Br)=CC=C1 BBL037290 [0,1,0,0,0,0|2,0,1]=4 40 B11R1.157 CC(=O)NC1=CC=CC(N)=C1 BBL009447 [0,1,0,0,0,0|2,0,1]=4 41 B11R1.157 CC(C)OC1=CC=CC(N)=C1 BBL036331 [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|2,0,1]=4 43 B11R1.157 NC(=O)CC1=CC=CC(N)=C1 BBL032017 [0,1,0,0,0,0|1,0,1]=3 44 B11R1.157 NC(=O)NC1=CC=CC(O)=C1 BBL007869 [0,1,0,0,0,0|2,0,1]=4 45 B11R1.157 NC(=S)NC1=CC(Cl)=CC=C1 BBL027871 [0,1,0,0,0,0|2,0,1]=4 46 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 BBL011462 [0,1,0,0,0,0|2,0,0]=3 47 B11R2.10 NC1=NC2=CC=CC=C2N1 BBL033933 [0,0,0,1,0,0|2,0,1]=4 48 B11R2.10 O=C1NC2=C(C=CC=C2)O1 BBL027537 [0,0,0,1,0,0|2,0,1]=4 49 B11R2.10 S=C1NC2=C(C=CC=C2)N1 BBL023512 [0,0,0,1,0,0|2,0,1]=4 50 B11R2.10 SC1=NC2=C(C=CC=C2)N1 BBL011714 [0,0,0,1,0,0|2,0,1]=4 51 B9R1.6 N=C(N)C1=CC=CC=C1 BBL012141 [0,0,0,0,1,0|1,0,1]=3 52 B9R1.6 N=C(N)C1=CC=NC=C1 BBL013969 [0,0,0,0,1,0|2,0,1]=4 53 B9R1.6 N=C(N)C1=CN=CC=C1 BBL013274 [0,0,0,0,1,0|2,0,1]=4 54 B9R1.6 NC(=S)C1=NC=CC=C1 BBL100340 [0,0,0,0,1,0|2,0,1]=4 55 B9R1.13 CC(N)CC1=CC=CO1 BBL030348 [0,0,0,0,1,0|1,0,0]=2 56 B9R1.13 CC(N)CN1C=CC=N1 BBL040014 [0,0,0,0,1,0|2,0,0]=3 57 B11R1.91 CC(=O)CCC1=CC=CC=C1 BBL011439 [0,0,0,0,0,1|1,0,1]=3 58 B11R1.91 CC(O)C#CC1=CC=CC=C1 BBL028011 [0,0,0,0,0,1|1,0,1]=3 59 B11R1.91 NC(=O)NCC1=CC=CC=C1 BBL013146 [0,0,0,0,0,1|1,0,1]=3 60 B11R1.91 NC(=S)NNC1=CC=CC=C1 BBL010670 [0,0,0,0,0,1|2,0,1]=4 61 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 BBL011517 [0,0,0,0,0,1|2,0,1]=4 62 B11R1.91 O=C(O)CCC1=CC=CC=C1 BBL011572 [0,0,0,0,0,1|2,0,1]=4 63 B11R1.91 O=C(O)CNC1=CC=CC=C1 BBL012003 [0,0,0,0,0,1|2,0,1]=4 64 B11R1.91 O=C(O)COC1=CC=CC=C1 BBL015276 [0,0,0,0,0,1|2,0,1]=4 65 B11R1.91 O=C(O)CSC1=CC=CC=C1 BBL000591 [0,0,0,0,0,1|2,0,1]=4 66 B8R1.2 COC1=NC=CC=C1 BBL011495 [2,0,0,0,0,0|2,0,0]=4 67 B8R1.2 ClCC1=CC=CC=N1 BBL009975 [2,0,0,0,0,0|2,0,0]=4 68 B8R1.2 NCC1=CC=CN=C1 BBL036897 [2,0,0,0,0,0|1,0,0]=3 69 B8R1.2 NNC1=CC=CC=C1 BBL011601 [2,0,0,0,0,0|1,0,0]=3 70 B8R1.2 NNC1=NC=CC=C1 BBL027570 [2,0,0,0,0,0|2,0,0]=4 71 B8R1.2 OCC1=CC=CC=C1 BBL011938 [2,0,0,0,0,0|1,0,0]=3 72 B8R1.2 [NH3+]CC1=CC=CC=C1 BBL002893 [2,0,0,0,0,0|0,0,1]=3 73 B10R1.1 CC1=CC=C(CON)C=C1 BBL039158 [1,1,0,0,0,0|1,0,0]=3 74 B10R1.1 COCC1=CC=C(N)C=C1 BBL030690 [1,1,0,0,0,0|1,0,0]=3 75 B10R1.1 NC1=CC=C(CCO)C=C1 BBL036337 [1,1,0,0,0,0|1,0,0]=3 76 B10R1.1 NCCC1=CC=C(F)C=C1 BBL013000 [1,1,0,0,0,0|0,0,0]=2 77 B10R1.1 NCCC1=CC=C(O)C=C1 BBL027695 [1,1,0,0,0,0|0,0,0]=2 78 B10R1.4 C=CCC1=C(O)C=CC=C1 BBL027374 [1,1,0,0,0,0|0,0,2]=4 79 B10R1.4 CNCC1=CC=CN=C1Cl BBL036539 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.10 CNCC1=CC(N)=CC=C1 BBL011550 [1,1,0,0,0,0|1,0,0]=3 81 B10R1.10 NCCC1=CC=CC(F)=C1 BBL012999 [1,1,0,0,0,0|0,0,0]=2 82 B10R1.15 CCC(=O)C1=CC=CC=C1 BBL027754 [1,1,0,0,0,0|0,0,1]=3 83 B10R1.15 COC(=O)C1=CC=CC=C1 BBL010502 [1,1,0,0,0,0|1,0,1]=4 84 B10R1.15 NCC(=O)C1=CC=CC=C1 BBL028098 [1,1,0,0,0,0|0,0,1]=3 85 B10R1.15 NNC(=O)C1=CC=CC=C1 BBL019079 [1,1,0,0,0,0|1,0,1]=4 86 B10R1.17 BrCCCC1=CC=CC=C1 BBL027292 [1,1,0,0,0,0|0,0,0]=2 87 B10R1.17 CCCNC1=CC=CC=C1 BBL012082 [1,1,0,0,0,0|0,0,0]=2 88 B10R1.17 CNCCC1=NC=CC=C1 BBL004908 [1,1,0,0,0,0|1,0,0]=3 89 B10R1.17 ClC\C=C\C1=CC=CC=C1 BBL011410 [1,1,0,0,0,0|0,0,2]=4 90 B10R1.17 NCCNC1=NC=CC=N1 BBL010886 [1,1,0,0,0,0|2,0,0]=4 91 B10R1.17 NCCOC1=CC=CC=C1 BBL028054 [1,1,0,0,0,0|0,0,0]=2 92 B10R1.17 OCCNC1=CC=CC=C1 BBL011612 [1,1,0,0,0,0|1,0,0]=3 93 B10R1.17 OCCOC1=CC=CC=C1 BBL027410 [1,1,0,0,0,0|1,0,0]=3 94 B10R1.17 OC\C=C\C1=CC=CC=C1 BBL027413 [1,1,0,0,0,0|0,0,2]=4 95 B10R1.17 S=C=NCC1=CC=CC=C1 BBL013129 [1,1,0,0,0,0|1,0,1]=4 96 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 BBL013140 [0,1,0,0,1,0|1,0,1]=4 97 B10R1.13 CC(N)C1=CC=C(Br)C=C1 BBL034684 [0,1,0,0,1,0|0,0,0]=2 98 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 BBL017845 [0,1,0,0,1,0|0,0,0]=2 99 B10R1.13 N=C(N)C1=CC=C(F)C=C1 BBL013947 [0,1,0,0,1,0|1,0,1]=4 100 B10R1.13 N=C(N)C1=CC=C(N)C=C1 BBL007616 [0,1,0,0,1,0|1,0,1]=4 101 B10R1.13 NC(=O)C1=CC=C(N)C=C1 BBL011581 [0,1,0,0,1,0|1,0,1]=4 102 B10R1.13 NC(=S)C1=CC=C(O)C=C1 BBL010014 [0,1,0,0,1,0|1,0,1]=4 103 B10R1.61 CC(=O)C1=C(O)C=CC=C1 BBL012126 [0,1,0,0,1,0|1,0,1]=4 104 B10R1.61 CC(N)C1=C(Cl)C=CC=C1 BBL017883 [0,1,0,0,1,0|0,0,0]=2 105 B10R1.61 NC(=O)C1=C(O)C=CC=C1 BBL016007 [0,1,0,0,1,0|1,0,1]=4 106 B10R1.61 NC(=O)C1=CC=CC=C1N BBL012278 [0,1,0,0,1,0|1,0,1]=4 107 B10R1.61 NC(=S)C1=CC=CC=C1N BBL018382 [0,1,0,0,1,0|1,0,1]=4 108 B10R1.61 NC(C)C1=C(C)C=CC=C1 BBL036386 [0,1,0,0,1,0|0,0,0]=2 109 B10R1.113 CC(=O)C1=CC=CC(O)=C1 BBL010535 [0,1,0,0,1,0|1,0,1]=4 110 B10R1.113 CC(N)C1=CC(O)=CC=C1 BBL023566 [0,1,0,0,1,0|0,0,0]=2 111 B10R1.113 CC(N)C1=CC=CC(Cl)=C1 BBL017910 [0,1,0,0,1,0|0,0,0]=2 112 B10R1.113 NC(=O)C1=CC(N)=CC=C1 BBL027669 [0,1,0,0,1,0|1,0,1]=4 113 B10R1.27 CC(CN)CN1C=CC=N1 BBL040267 [0,1,0,0,1,0|2,0,0]=4 114 B10R1.54 CC1=CN(CC(C)N)N=C1 BBL038055 [0,1,0,0,1,0|2,0,0]=4 115 B10R1.54 CC1=NN(CC(C)N)C=C1 BBL038054 [0,1,0,0,1,0|2,0,0]=4 116 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 BBL009822 [0,1,0,0,0,1|1,0,1]=4 117 B12R1.21 CC(C)NCC1=CC=C(Cl)C=C1 BBL025760 [0,1,0,0,0,1|1,0,0]=3 118 B12R1.21 NC(=O)COC1=CC=C(N)C=C1 BBL012245 [0,1,0,0,0,1|1,0,1]=4 119 B12R1.27 CCC(C)NCC1=NC=CC=C1 BBL000288 [0,1,0,0,0,1|2,0,0]=4 120 B12R1.27 COC(=O)CNC1=CC=CC=C1 BBL034685 [0,1,0,0,0,1|1,0,1]=4 121 B12R1.27 N(CC1=CC=CN=C1)C(C)CC BBL000150 [0,1,0,0,0,1|2,0,0]=4 122 B12R1.27 N(CC1=CC=NC=C1)C(C)CC BBL000054 [0,1,0,0,0,1|2,0,0]=4 123 B12R1.27 NNC(=O)CCC1=CC=CC=C1 BBL015565 [0,1,0,0,0,1|1,0,1]=4 124 B12R1.27 NNC(=O)CNC1=CC=CC=C1 BBL023232 [0,1,0,0,0,1|1,0,1]=4 125 B12R1.27 NNC(=O)CSC1=CC=CC=C1 BBL025676 [0,1,0,0,0,1|1,0,1]=4 126 B12R1.27 N\C(COC1=CC=CC=C1)=N/O BBL029575 [0,1,0,0,0,1|1,0,1]=4 127 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 BBL034736 [0,1,0,0,0,1|1,0,1]=4 128 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 BBL013314 [0,1,0,0,0,1|1,0,1]=4 129 B12R1.125 CC(C)NCC1=CC=CN=C1Cl BBL036520 [0,1,0,0,0,1|2,0,0]=4 130 B12R1.125 NC(=S)NCC1=C(Cl)C=CC=C1 BBL031879 [0,1,0,0,0,1|1,0,1]=4 131 B12R1.891 CC(C)(O)C#CC1=CC=CC=C1 BBL018606 [0,1,0,0,0,1|1,0,1]=4 132 B12R1.891 CC(C)(O)CCC1=CC=CC=C1 BBL018826 [0,1,0,0,0,1|1,0,0]=3 133 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 BBL028041 [0,2,0,0,0,0|2,0,0]=4 134 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 BBL027728 [0,2,0,0,0,0|1,0,1]=4 135 B12R1.20 NC(=O)C(N)C1=CC=C(O)C=C1 BBL032160 [0,2,0,0,0,0|1,0,1]=4 136 B12R1.49 CNC(=O)CC1=CC=C(N)C=C1 BBL023269 [0,2,0,0,0,0|1,0,1]=4 137 B12R1.49 NNC(=O)CC1=CC=C(Br)C=C1 BBL015374 [0,2,0,0,0,0|1,0,1]=4 138 B12R1.49 NNC(=O)CC1=CC=C(Cl)C=C1 BBL008411 [0,2,0,0,0,0|1,0,1]=4 139 B12R1.49 NNC(=O)CC1=CC=C(O)C=C1 BBL016572 [0,2,0,0,0,0|1,0,1]=4 140 B12R1.49 N\C(CC1=CC=C(Cl)C=C1)=N/O BBL005823 [0,2,0,0,0,0|1,0,1]=4 141 B12R1.34 CNC(C)C(O)C1=CC=CC=C1 BBL010298 [0,2,0,0,0,0|0,0,0]=2 142 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 BBL027464 [0,2,0,0,0,0|1,0,1]=4 143 B12R1.478 CN(C)C(CN)C1=CC=CC=C1 BBL029432 [0,2,0,0,0,0|2,0,0]=4 144 B12R1.50 CNC(=O)CC1=CC=CC(N)=C1 BBL031706 [0,2,0,0,0,0|1,0,1]=4 145 B12R1.118 COC(CC1=CC=CC=C1)OC BBL011496 [0,2,0,0,0,0|1,0,0]=3 146 B12R1.194 CC(C)(CN)NC1=CC=CC=C1 BBL029473 [0,2,0,0,0,0|1,0,0]=3 147 B12R1.371 NNC(=O)CC1=CC=CC=C1Cl BBL017353 [0,2,0,0,0,0|1,0,1]=4 148 B12R1.75 CC(C)OC1=C(C=O)C=CC=C1 BBL023174 [0,2,0,0,0,0|2,0,0]=4 149 B12R1.75 CC(C)OC1=CC=CC=C1CN BBL011262 [0,2,0,0,0,0|2,0,0]=4 150 B12R1.75 COC1=CC=CC=C1CC(C)=O BBL027726 [0,2,0,0,0,0|1,0,1]=4 151 B12R1.438 CC(C)OC1=CC=CC(CN)=C1 BBL023365 [0,2,0,0,0,0|2,0,0]=4 152 B10R1.66 CC(N)CCC1=CC=CO1 BBL028734 [0,0,1,1,0,0|1,0,1]=4 153 B10R2.7 C1=CC2=C(C=C1)NC=C2 BBL011739 [1,0,0,1,0,0|0,0,2]=4 154 B12R2.92 ClC1(Cl)CC1C2=CC=CC=C2 BBL011095 [0,0,0,1,0,1|2,0,0]=4 155 B12R2.2057 C1=CN=C(CNC2CC2)C=C1 BBL030107 [0,0,0,1,0,1|2,0,0]=4 156 B12R2.2057 C1=CN=CC(CNC2CC2)=C1 BBL007852 [0,0,0,1,0,1|2,0,0]=4 157 B12R2.606 CC1=NC2=C(C=CC(N)=C2)N1 BBL012602 [0,1,0,1,0,0|1,0,1]=4 158 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)N1 BBL009871 [0,1,0,1,0,0|1,0,1]=4 159 B12R2.606 O=C1CC2=CC(F)=CC=C2N1 BBL012822 [0,1,0,1,0,0|1,0,1]=4 160 B12R2.18 CN1C2=CC=CC=C2N=C1N BBL013458 [0,1,0,1,0,0|1,0,1]=4 161 B12R2.18 NC1C(=O)NC2=CC=CC=C21 BBL010068 [0,1,0,1,0,0|1,0,1]=4 162 B12R2.2075 O=C(C1=CC=CC=C1)C2CC2 BBL027331 [0,1,0,1,0,0|1,0,1]=4 163 B12R2.32 NCC1=NC2=CC=CC=C2N1 BBL007911 [0,1,0,1,0,0|1,0,1]=4 164 B12R2.32 OCC1CC2=CC=CC=C2O1 BBL029876 [0,1,0,1,0,0|1,0,0]=3 165 B12R2.32 SCC1=NC2=CC=CC=C2N1 BBL012296 [0,1,0,1,0,0|1,0,1]=4 166 B8R1.8 NCCC1=CC=CS1 BBL001466 [1,0,0,0,1,0|1,0,0]=3 167 B8R1.8 NCCC1=CNC=N1 BBL004932 [1,0,0,0,1,0|2,0,0]=4 168 B12R1.252 CC(C)NCCC1=CC=CC=C1 BBL023458 [0,0,0,0,0,2|1,0,0]=3 169 B12R1.252 N(CC1=CC=CC=C1)CC(C)C BBL022517 [0,0,0,0,0,2|1,0,0]=3