0 B11R2.10 NC1=NC2=CC=CC=C2N1 BBL033933 [0,0,0,0,0,0|2,0,0]=2 1 B11R2.10 O=C1NC2=C(C=CC=C2)O1 BBL027537 [0,0,0,0,0,0|1,0,1]=2 2 B11R2.10 O=C1NC2=C(N=CC=C2)N1 BBL028669 [0,0,0,0,0,0|3,0,1]=4 3 B11R2.10 S=C1NC2=C(C=CC=C2)N1 BBL023512 [0,0,0,0,0,0|2,0,1]=3 4 B11R2.10 SC1=NC2=C(C=CC=C2)N1 BBL011714 [0,0,0,0,0,0|2,0,0]=2 5 B10R2.7 C1=CC2=C(C=C1)NC=C2 BBL011739 [1,0,0,0,0,0|1,0,1]=3 6 B10R2.7 C1=CC2=N[Se]N=C2C=C1 BBL012553 [1,0,0,0,0,0|2,0,0]=3 7 B12R2.18 CN1C2=CC=CC=C2N=C1N BBL013458 [0,1,0,0,0,0|2,0,0]=3 8 B12R2.18 NC1C(=O)NC2=CC=CC=C21 BBL010068 [0,1,0,0,0,0|2,0,1]=4 9 B12R2.32 ClCC1=CN2C=CC=CC2=N1 BBL013637 [0,1,0,0,0,0|2,0,0]=3 10 B12R2.32 NCC1=NC2=CC=CC=C2N1 BBL007911 [0,1,0,0,0,0|1,0,0]=2 11 B12R2.32 NNC1=NC2=CC=CC=C2S1 BBL005529 [0,1,0,0,0,0|1,1,0]=3 12 B12R2.32 O=CC1=NC2=CC=CC=C2N1 BBL028429 [0,1,0,0,0,0|1,0,1]=3 13 B12R2.32 OCC1CC2=CC=CC=C2O1 BBL029876 [0,1,0,0,0,0|1,0,1]=3 14 B12R2.32 SCC1=NC2=CC=CC=C2N1 BBL012296 [0,1,0,0,0,0|1,0,0]=2 15 B12R2.202 CC1=CC=CC2=C1N=C(N)S2 BBL036206 [0,1,0,0,0,0|1,1,0]=3 16 B12R2.606 CC1=NC2=C(C=CC(N)=C2)N1 BBL012602 [0,1,0,0,0,0|1,0,0]=2 17 B12R2.606 NC1=CC2=C(C=C1)N=C(N)S2 BBL023480 [0,1,0,0,0,0|1,1,0]=3 18 B12R2.606 NC1=CC=C2NC(=O)NC2=C1 BBL028058 [0,1,0,0,0,0|2,0,1]=4 19 B12R2.606 NC1=CC=C2NC(=O)OC2=C1 BBL023173 [0,1,0,0,0,0|1,0,1]=3 20 B12R2.606 NC1=NC2=C(C=C(O)C=C2)S1 BBL009349 [0,1,0,0,0,0|1,1,0]=3 21 B12R2.606 NC1=NC2=CC=C(Br)C=C2S1 BBL013928 [0,1,0,0,0,0|1,1,0]=3 22 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)N1 BBL009871 [0,1,0,0,0,0|2,0,1]=4 23 B12R2.606 O=C1CC2=CC(F)=CC=C2N1 BBL012822 [0,1,0,0,0,0|2,0,1]=4 24 B12R2.606 O=C1OC2=C(C=CC(O)=C2)S1 BBL027543 [0,1,0,0,0,0|2,0,0]=3 25 B12R2.606 O=C1OC2=CC=C(O)C=C2S1 BBL013168 [0,1,0,0,0,0|2,0,0]=3 26 B12R2.606 SC1=NC2=C(C=CC(Cl)=C2)N1 BBL003399 [0,1,0,0,0,0|2,0,0]=3 27 B12R2.606 SC1=NC2=C(C=CC(Cl)=C2)O1 BBL025677 [0,1,0,0,0,0|1,0,0]=2 28 B10R1.4 C=CCC1=C(O)C=CC=C1 BBL027374 [0,0,1,0,0,0|1,0,1]=3 29 B10R1.4 FC1=CC=CC=C1N=C=S BBL027477 [0,0,1,0,0,0|2,0,1]=4 30 B10R1.4 O=C=NC1=CC=CC=C1Br BBL037642 [0,0,1,0,0,0|2,0,1]=4 31 B10R1.4 O\N=C\C1=C(O)C=CC=C1 BBL013317 [0,0,1,0,0,0|3,0,0]=4 32 B10R1.4 S=C=NC1=CC=CC=C1Cl BBL027478 [0,0,1,0,0,0|2,0,1]=4 33 B10R1.18 N=C(N)CC1=CC=CC=C1 BBL029167 [0,0,1,0,0,0|2,0,0]=3 34 B10R1.18 NC(=S)NC1=CC=CC=C1 BBL013021 [0,0,1,0,0,0|1,1,1]=4 35 B10R1.18 O=C(Cl)CC1=CC=CC=C1 BBL011387 [0,0,1,0,0,0|2,0,1]=4 36 B10R1.18 O=C(Cl)OC1=CC=CC=C1 BBL011406 [0,0,1,0,0,0|2,0,0]=3 37 B10R1.18 O=C(O)CC1=CC=CN=C1 BBL001481 [0,0,1,0,0,0|3,0,0]=4 38 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 BBL027621 [0,0,0,0,0,1|2,0,0]=3 39 B12R2.24 SC1=CC=C2C=CC=CC2=C1 BBL013183 [0,0,0,0,0,1|3,0,0]=4 40 B9R1.8 COCC1=CC=CC=C1 BBL011461 [1,0,1,0,0,0|2,0,0]=4 41 B9R1.8 O=C=NC1=CC=CC=C1 BBL013184 [1,0,1,0,0,0|0,0,2]=4 42 B9R1.8 OCCC1=CC=CC=C1 BBL036905 [1,0,1,0,0,0|1,0,1]=4 43 B9R1.8 S=C=NC1=CC=CC=C1 BBL027476 [1,0,1,0,0,0|0,1,1]=4 44 B9R1.15 COC1=NC=CC=C1N BBL029047 [1,0,1,0,0,0|1,0,1]=4 45 B11R1.17 C=CCOC1=CC=CC=C1N BBL023219 [0,1,1,0,0,0|0,0,2]=4 46 B11R1.17 CC1=CC=CC=C1OCCBr BBL028170 [0,1,1,0,0,0|1,0,1]=4 47 B11R1.17 CCCOC1=C(N)C=CC=C1 BBL035841 [0,1,1,0,0,0|0,0,2]=4 48 B11R1.17 ClC1=CC=CC=C1OCCBr BBL029543 [0,1,1,0,0,0|1,0,1]=4 49 B11R1.17 NC1=CC=CC=C1OCCO BBL013148 [0,1,1,0,0,0|0,0,2]=4 50 B11R1.17 NCCOC1=CC=CC=C1Cl BBL002953 [0,1,1,0,0,0|1,0,1]=4 51 B11R1.17 NCCOC1=CC=CC=C1F BBL002954 [0,1,1,0,0,0|1,0,1]=4 52 B11R1.41 CCOC1=CC=CC=C1NN BBL014418 [0,1,1,0,0,0|0,0,2]=4 53 B11R1.41 COC1=C(N=C=S)C=CC=C1 BBL027787 [0,1,1,0,0,0|1,0,1]=4 54 B11R1.41 COC1=CC=CC=C1N=C=O BBL027367 [0,1,1,0,0,0|1,0,1]=4 55 B11R1.81 CCOC1=C(Cl)C=C(N)C=C1 BBL034970 [0,1,1,0,0,0|1,0,1]=4 56 B11R1.81 CCOC1=C(N)C=C(Cl)C=C1 BBL034405 [0,1,1,0,0,0|0,0,2]=4 57 B11R1.86 CC(=O)NC1=CC=CC=C1N BBL002386 [0,1,1,0,0,0|1,0,1]=4 58 B11R1.86 NC(=O)CC1=CC=CC=C1O BBL003575 [0,1,1,0,0,0|2,0,0]=4 59 B11R1.86 NC(=S)NC1=CC=CC=C1O BBL008029 [0,1,1,0,0,0|1,0,1]=4 60 B11R1.182 CNCC1=C(O)C=CC(Br)=C1 BBL036631 [0,1,1,0,0,0|2,0,0]=4 61 B11R1.222 CCC(=O)C1=CC=CC=C1O BBL011846 [0,1,1,0,0,0|1,0,1]=4 62 B11R1.222 CNC(=O)C1=CC=CC=C1O BBL010949 [0,1,1,0,0,0|2,0,0]=4 63 B11R1.222 COC(=O)C1=CC=CC=C1O BBL010504 [0,1,1,0,0,0|2,0,0]=4 64 B11R1.75 CC1=CC=C(\C=C\C(=O)Cl)O1 BBL037200 [0,1,1,0,0,0|2,0,0]=4 65 B11R1.75 CC1=CC=C(\C=C\C(=O)O)O1 BBL023058 [0,1,1,0,0,0|2,0,0]=4 66 B11R1.20 CC(=O)NC1=CC=C(N)C=C1 BBL008068 [0,1,1,0,0,0|0,0,2]=4 67 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 BBL005229 [0,1,1,0,0,0|0,0,2]=4 68 B11R1.20 CC(C)OC1=CC=C(N)C=C1 BBL028078 [0,1,1,0,0,0|1,0,1]=4 69 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 BBL018950 [0,1,1,0,0,0|2,0,0]=4 70 B11R1.20 NC1=CC=C(CC(O)=S)C=C1 BBL002831 [0,1,1,0,0,0|2,0,0]=4 71 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 BBL027456 [0,1,1,0,0,0|2,0,0]=4 72 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 BBL016492 [0,1,1,0,0,0|2,0,0]=4 73 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 BBL028097 [0,1,1,0,0,0|2,0,0]=4 74 B11R1.40 CNC(=S)NC1=CC=CC=C1 BBL023221 [0,1,1,0,0,0|0,1,1]=4 75 B11R1.40 COC(=O)CC1=CC=CC=C1 BBL010506 [0,1,1,0,0,0|1,0,1]=4 76 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 BBL012658 [0,1,1,0,0,0|1,0,1]=4 77 B11R1.40 N\C(CC1=CC=CC=C1)=N/O BBL011916 [0,1,1,0,0,0|2,0,0]=4 78 B11R1.157 CC(=O)NC1=CC(Br)=CC=C1 BBL037290 [0,1,1,0,0,0|0,0,2]=4 79 B11R1.157 CC(=O)NC1=CC=CC(N)=C1 BBL009447 [0,1,1,0,0,0|0,0,2]=4 80 B11R1.157 CC(C)OC1=CC=CC(N)=C1 BBL036331 [0,1,1,0,0,0|1,0,1]=4 81 B11R2.36 BrC1=CC=C2C=CNC2=C1 BBL011018 [1,1,0,0,0,0|1,0,1]=4 82 B11R2.36 BrC1=CC=C2NC=CC2=C1 BBL013012 [1,1,0,0,0,0|1,0,1]=4 83 B11R2.36 BrC1=CC=C2NC=NC2=C1 BBL100312 [1,1,0,0,0,0|1,0,0]=3 84 B11R2.36 CC1=CC2=C(C=C1)NC=C2 BBL011007 [1,1,0,0,0,0|1,0,1]=4 85 B11R2.36 ClC1=CC2=C(C=C1)NC=C2 BBL037749 [1,1,0,0,0,0|1,0,1]=4 86 B11R2.36 FC1=CC=C2C=CNC2=C1 BBL011020 [1,1,0,0,0,0|1,0,1]=4 87 B11R2.36 OC1=CC2=C(C=C1)NC=C2 BBL036782 [1,1,0,0,0,0|1,0,1]=4 88 B11R2.36 OC1=CC2=C(C=C1)OCO2 BBL027539 [1,1,0,0,0,0|1,0,1]=4 89 B11R2.36 OC1=CC2=NSN=C2C=C1 BBL011754 [1,1,0,0,0,0|2,0,0]=4 90 B11R2.106 CC1=CC=CC2=C1C=CN2 BBL027536 [1,1,0,0,0,0|1,0,1]=4 91 B11R2.106 ClC1=CC=CC2=C1C=CN2 BBL027535 [1,1,0,0,0,0|1,0,1]=4 92 B11R2.106 NC1=C2C=CNC2=CC=C1 BBL100183 [1,1,0,0,0,0|1,0,1]=4 93 B11R2.106 OC1=C2C=CNC2=CC=C1 BBL011019 [1,1,0,0,0,0|1,0,1]=4 94 B11R2.106 OC1=CC=CC2=NSN=C12 BBL029357 [1,1,0,0,0,0|2,0,0]=4 95 B13R2.57 NCC1=NC2=CC=CC=C2C=C1 BBL040738 [0,1,0,0,0,1|1,0,0]=3 96 B13R2.57 NCC1COC2=C(C=CC=C2)O1 BBL020222 [0,1,0,0,0,1|1,0,1]=4 97 B13R2.57 O=CC1=NC2=C(C=CC=C2)N=C1 BBL011757 [0,1,0,0,0,1|1,0,1]=4 98 B13R2.155 NC1=CC=C2OCC(=O)NC2=C1 BBL007894 [0,1,0,0,0,1|1,0,1]=4 99 B13R2.155 O=C1C=CC2=CC=C(O)C=C2O1 BBL027620 [0,1,0,0,0,1|2,0,0]=4 100 B13R2.328 CC1=CC(Cl)=NC2=CC=CC=C12 BBL010332 [0,1,0,0,0,1|2,0,0]=4 101 B13R2.328 CC1=NC2=CC=CC=C2C(S)=C1 BBL029187 [0,1,0,0,0,1|1,0,0]=3 102 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)O1 BBL027616 [0,1,0,0,0,1|2,0,0]=4 103 B13R2.328 O=C1N=C(S)SC2=CC=CC=C12 BBL030462 [0,1,0,0,0,1|1,1,0]=4 104 B13R2.328 O=C1NC2=CC=CC=C2C(=O)O1 BBL009904 [0,1,0,0,0,1|1,0,1]=4 105 B13R2.328 OC1=NC2=CC=CC=C2C(O)=N1 BBL025915 [0,1,0,0,0,1|2,0,0]=4 106 B13R2.369 CC1=NC2=CC=CC=C2N=C1Cl BBL009921 [0,1,0,0,0,1|1,0,0]=3 107 B13R2.369 ClC1=NC2=C(C=CC=C2)N=C1Cl BBL004257 [0,1,0,0,0,1|2,0,0]=4 108 B13R2.369 SC1=C(S)N=C2C=CC=CC2=N1 BBL023005 [0,1,0,0,0,1|2,0,0]=4 109 B13R2.3683 CC1=CC2=C(C=C1)N=C(C)C=C2 BBL034645 [0,1,0,0,0,1|1,0,0]=3 110 B13R2.3683 CC1=NC2=C(C=C1)C=C(N)C=C2 BBL012761 [0,1,0,0,0,1|1,0,0]=3 111 B13R2.3683 NC1=CC=C2NC(=O)COC2=C1 BBL011145 [0,1,0,0,0,1|1,0,1]=4 112 B13R2.5179 CC1=CC=C2C(C)=CC=CC2=C1 BBL019900 [0,1,0,0,0,1|2,0,0]=4 113 B13R2.45 CN1C2=CC=CC=C2N=C1C=O BBL028274 [0,2,0,0,0,0|1,0,1]=4 114 B13R2.45 NNC1=NC2=CC=CC=C2N1C BBL028997 [0,2,0,0,0,0|2,0,0]=4 115 B13R2.359 CC1=NC2=CC=CC=C2C1(C)C BBL027538 [0,2,0,0,0,0|1,0,0]=3 116 B13R2.5190 CC1=CC2=CC(N)=CC=C2N1C BBL025898 [0,2,0,0,0,0|1,0,1]=4 117 B13R2.26 CNCC1=CN2C=CC=CC2=N1 BBL038778 [0,2,0,0,0,0|2,0,0]=4 118 B13R2.26 NCCC1=CN2C=CC=CC2=N1 BBL030636 [0,2,0,0,0,0|2,0,0]=4 119 B13R2.26 NCCC1=NC2=C(C=CC=C2)N1 BBL011955 [0,2,0,0,0,0|1,0,0]=3 120 B13R2.43 CC1=CC2=C(C=C1)N=C(NN)S2 BBL025662 [0,2,0,0,0,0|1,1,0]=4 121 B13R2.43 CC1=CC=C2N=C(CN)NC2=C1 BBL009840 [0,2,0,0,0,0|1,0,0]=3 122 B13R2.43 NC1=CC2=C(C=C1)NC(CO)=N2 BBL012603 [0,2,0,0,0,0|1,0,0]=3 123 B13R2.43 NCC1=NC2=CC(F)=CC=C2N1 BBL031218 [0,2,0,0,0,0|1,0,0]=3 124 B13R2.43 NNC1=NC2=CC(Cl)=CC=C2S1 BBL028848 [0,2,0,0,0,0|1,1,0]=4 125 B13R2.54 NNC1=NC2=C(Cl)C=CC=C2S1 BBL009497 [0,2,0,0,0,0|1,1,0]=4 126 B13R2.435 CC(Cl)C1=NC2=CC=CC=C2N1 BBL009917 [0,2,0,0,0,0|1,0,0]=3 127 B13R2.435 CC(N)C1=NC2=CC=CC=C2N1 BBL029596 [0,2,0,0,0,0|1,0,0]=3 128 B13R2.435 CC(O)C1=NC2=CC=CC=C2N1 BBL013198 [0,2,0,0,0,0|1,0,0]=3 129 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 BBL018112 [0,2,0,0,0,0|1,0,1]=4 130 B13R2.4826 CC1(C)CC2=C(O1)C(O)=CC=C2 BBL028151 [0,2,0,0,0,0|1,0,1]=4 131 B13R2.3050 CC1=C2N=C(N)SC2=CC=C1Cl BBL035882 [0,2,0,0,0,0|1,1,0]=4 132 B13R2.5397 CC1=CC(N)=C2N=C(N)SC2=C1 BBL002764 [0,2,0,0,0,0|1,1,0]=4 133 B13R2.5397 CC1=NC2=CC(N)=CC(C)=C2O1 BBL033049 [0,2,0,0,0,0|0,0,0]=2 134 B13R2.5397 NC1=CC(Cl)=C2N=C(N)SC2=C1 BBL031919 [0,2,0,0,0,0|1,1,0]=4 135 B13R2.2121 CCC1=CC=C2N=C(N)SC2=C1 BBL020284 [0,2,0,0,0,0|1,1,0]=4 136 B13R2.2121 N#CC1=CC=C2N=C(N)SC2=C1 BBL029734 [0,2,0,0,0,0|1,1,0]=4 137 B11R2.20 C1=CC2=C(C=C1)N=CC=C2 BBL011390 [0,0,1,1,0,0|1,0,1]=4 138 B11R2.20 C1=CC=C2N=CC=NC2=C1 BBL012266 [0,0,1,1,0,0|1,0,1]=4 139 B9R1.6 N=C(N)C1=CC=CC=C1 BBL012141 [0,0,1,0,1,0|1,0,0]=3 140 B9R1.6 N=C(N)C1=CC=NC=C1 BBL013969 [0,0,1,0,1,0|2,0,0]=4 141 B9R1.6 N=C(N)C1=CN=CC=C1 BBL013274 [0,0,1,0,1,0|2,0,0]=4 142 B9R1.6 O=C(O)C1=CC=CN=C1 BBL037343 [0,0,1,0,1,0|2,0,0]=4 143 B11R1.91 CC(=O)CCC1=CC=CC=C1 BBL011439 [0,0,1,0,0,1|1,0,1]=4 144 B11R1.91 CC(O)C#CC1=CC=CC=C1 BBL028011 [0,0,1,0,0,1|1,0,1]=4 145 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 BBL011517 [0,0,1,0,0,1|2,0,0]=4 146 B11R1.91 O=C(O)CCC1=CC=CC=C1 BBL011572 [0,0,1,0,0,1|2,0,0]=4 147 B11R1.91 O=C(O)CNC1=CC=CC=C1 BBL012003 [0,0,1,0,0,1|1,0,1]=4 148 B11R1.91 O=C(O)COC1=CC=CC=C1 BBL015276 [0,0,1,0,0,1|2,0,0]=4 149 B11R1.91 O=C(O)CSC1=CC=CC=C1 BBL000591 [0,0,1,0,0,1|2,0,0]=4 150 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 BBL036895 [0,0,1,0,0,1|2,0,0]=4