0 B11R2.20 C1=CC2=C(C=C1)CCCC2 075145 [0,0,0,0,0,0|2,0,0]=2 1 B11R2.20 C1=CC2=C(C=C1)CNCC2 040081 [0,0,0,0,0,0|3,0,0]=3 2 B11R2.20 C1=CC2=C(C=C1)NCCC2 040080 [0,0,0,0,0,0|3,0,0]=3 3 B11R2.20 C1=CC2=C(C=N1)CCCC2 304059 [0,0,0,0,0,0|3,0,0]=3 4 B11R2.20 C1=CC2=C(CCCC2)N=C1 044802 [0,0,0,0,0,0|1,0,0]=1 5 B11R2.20 C1=CC2=NC=CN=C2N=C1 069188 [0,0,0,0,0,0|1,0,3]=4 6 B11R2.20 C1=CC=C2COCCC2=C1 237176 [0,0,0,0,0,0|3,0,0]=3 7 B11R2.20 C1=CC=C2N=CC=NC2=C1 079216 [0,0,0,0,0,0|0,0,4]=4 8 B11R2.20 C1=CC=C2OCCNC2=C1 075546 [0,0,0,0,0,0|4,0,0]=4 9 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 077414 [0,1,0,0,0,0|3,0,0]=4 10 B12R2.24 BrC1=CC2=C(C=C1)CNCC2 076472 [0,1,0,0,0,0|3,0,0]=4 11 B12R2.24 CC1=CC=C2NCCCC2=C1 431465 [0,1,0,0,0,0|3,0,0]=4 12 B12R2.24 ClC1=CC2=C(C=C1)CCCN2 231154 [0,1,0,0,0,0|3,0,0]=4 13 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 012252 [0,1,0,0,0,0|2,0,1]=4 14 B12R2.24 OC1=CC=C2CCCCC2=C1 078989 [0,1,0,0,0,0|2,0,0]=3 15 B12R2.1081 CC1NCCC2=C1C=CC=C2 077277 [0,1,0,0,0,0|3,0,0]=4 16 B12R2.1081 NC1CCCC2=C1C=CC=C2 219818 [0,1,0,0,0,0|2,0,0]=3 17 B12R2.1081 NC1CCCC2=CC=CC=C21 048220 [0,1,0,0,0,0|2,0,0]=3 18 B12R2.1081 NC1COCC2=C1C=CC=C2 091889 [0,1,0,0,0,0|3,0,0]=4 19 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 048221 [0,1,0,0,0,0|2,0,0]=3 20 B12R2.1081 O=C1CCCC2=C1C=CC=C2 208977 [0,1,0,0,0,0|2,0,1]=4 21 B12R2.1081 O=C1CCCC2=CC=CN=C12 040148 [0,1,0,0,0,0|1,0,1]=3 22 B12R2.1081 OC1=C2CCCCC2=CC=C1 242836 [0,1,0,0,0,0|2,0,0]=3 23 B12R2.1081 OC1=CC=CC2=C1NCCC2 025404 [0,1,0,0,0,0|3,0,0]=4 24 B12R2.1081 OC1CCCC2=C1N=CC=C2 040155 [0,1,0,0,0,0|1,0,0]=2 25 B12R2.1081 OC1CCCC2=CC=CC=C21 069137 [0,1,0,0,0,0|2,0,0]=3 26 B12R2.1081 OC1CCOC2=CC=CC=C21 104541 [0,1,0,0,0,0|3,0,0]=4 27 B12R2.1081 O[C@@H]1CCCC2=C1C=CC=C2 219879 [0,1,0,0,0,0|2,0,0]=3 28 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 219880 [0,1,0,0,0,0|2,0,0]=3 29 B10R1.4 CC1=C(CCN)C=CC=C1 018849 [0,0,1,0,0,0|3,0,0]=4 30 B10R1.4 CC1=C(CCN)C=CC=C1 094128 [0,0,1,0,0,0|3,0,0]=4 31 B10R1.4 CC1=CC=CC=C1CCO 243106 [0,0,1,0,0,0|3,0,0]=4 32 B10R1.4 CC1=CC=CN=C1CCO 032581 [0,0,1,0,0,0|2,0,0]=3 33 B10R1.4 CCCC1=CC=NC=C1C 032545 [0,0,1,0,0,0|3,0,0]=4 34 B10R1.4 CCNC1=CC=CC=C1C 243028 [0,0,1,0,0,0|3,0,0]=4 35 B10R1.4 CCOC1=C(C)C=CC=C1 095339 [0,0,1,0,0,0|3,0,0]=4 36 B10R1.17 BrCCCC1=CC=CC=C1 113800 [0,0,1,0,0,0|3,0,0]=4 37 B10R1.17 CCCCC1=CC=CC=C1 240933 [0,0,1,0,0,0|2,0,0]=3 38 B10R1.17 CCCC[N+]1=CC=CC=C1 237751 [0,0,1,0,0,0|3,0,0]=4 39 B10R1.17 CCCNC1=CC=CC=C1 324115 [0,0,1,0,0,0|3,0,0]=4 40 B10R1.17 CCCSC1=CC=CC=C1 094618 [0,0,1,0,0,0|3,0,0]=4 41 B10R1.17 CCCSC1=NC=CC=C1 097642 [0,0,1,0,0,0|2,0,0]=3 42 B10R1.17 CCNCC1=CC=CC=C1 239060 [0,0,1,0,0,0|3,0,0]=4 43 B10R1.17 CCNCC1=CC=CN=C1 046110 [0,0,1,0,0,0|2,0,0]=3 44 B10R1.17 CCOCC1=CC=CC=C1 240434 [0,0,1,0,0,0|3,0,0]=4 45 B10R1.17 CCSCC1=CC=CC=C1 094637 [0,0,1,0,0,0|3,0,0]=4 46 B10R1.17 CNCCC1=CC=CC=C1 046956 [0,0,1,0,0,0|3,0,0]=4 47 B10R1.17 CNCCC1=NC=CC=C1 065480 [0,0,1,0,0,0|2,0,0]=3 48 B10R1.17 ClCCCC1=CC=CC=C1 320132 [0,0,1,0,0,0|3,0,0]=4 49 B10R1.17 NCCCC1=CC=CC=C1 008890 [0,0,1,0,0,0|3,0,0]=4 50 B10R1.17 OCCCC1=CC=CC=C1 241187 [0,0,1,0,0,0|3,0,0]=4 51 B10R1.17 OCCCC1=CC=CN=C1 032639 [0,0,1,0,0,0|2,0,0]=3 52 B10R1.17 OCCCC1=NC=CC=C1 234266 [0,0,1,0,0,0|2,0,0]=3 53 B10R1.17 OCCNC1=NC=CC=C1 034929 [0,0,1,0,0,0|3,0,0]=4 54 B10R1.17 OCCNC1=NC=CC=C1 061534 [0,0,1,0,0,0|3,0,0]=4 55 B10R1.20 CCC1=C(CO)C=CC=C1 456420 [0,0,1,0,0,0|3,0,0]=4 56 B10R1.20 CCC1=C(SC)C=CC=C1 094763 [0,0,1,0,0,0|3,0,0]=4 57 B10R1.20 CCC1=NC=CN=C1OC 002748 [0,0,1,0,0,0|1,0,0]=2 58 B10R1.20 CCC1=NC=CN=C1SC 002752 [0,0,1,0,0,0|1,0,0]=2 59 B10R2.7 C1=CC2=C(C=C1)CCC2 046831 [0,0,0,0,1,0|2,0,0]=3 60 B10R2.7 C1=CC2=C(CCNC2)S1 040314 [0,0,0,0,1,0|2,0,0]=3 61 B10R2.7 C1=CC=C2CNCC2=C1 041927 [0,0,0,0,1,0|3,0,0]=4 62 B10R2.7 C1=CC=C2NCCC2=C1 068790 [0,0,0,0,1,0|3,0,0]=4 63 B10R2.7 C1=CC=C2OCCC2=C1 017117 [0,0,0,0,1,0|3,0,0]=4 64 B10R2.7 C1=CN=C2CCCC2=C1 075302 [0,0,0,0,1,0|1,0,0]=2 65 B10R2.7 C1=NNC2=C1CCCC2 324948 [0,0,0,0,1,0|1,0,1]=3 66 B12R2.41 C1=CC2=C(C=C1)CCNCC2 046252 [0,0,0,0,0,1|2,0,0]=3 67 B12R2.41 C1=CC=C2NCCCCC2=C1 036434 [0,0,0,0,0,1|2,0,0]=3 68 B9R1.8 CCCC1=CC=CC=C1 095067 [1,0,1,0,0,0|2,0,0]=4 69 B9R1.8 CCCC1=NC=CC=C1 242850 [1,0,1,0,0,0|1,0,0]=3 70 B9R1.8 CCCC1=NC=CN=C1 002735 [1,0,1,0,0,0|0,0,0]=2 71 B9R1.8 CCOC1=NC=CC=C1 049694 [1,0,1,0,0,0|2,0,0]=4 72 B9R1.8 CCSC1=NC=CC=C1 095363 [1,0,1,0,0,0|2,0,0]=4 73 B9R1.8 ClCCC1=CC=CC=N1 070463 [1,0,1,0,0,0|2,0,0]=4 74 B9R1.8 NCCC1=CC=CN=C1 010689 [1,0,1,0,0,0|2,0,0]=4 75 B9R1.8 NCCC1=CC=CN=C1 033239 [1,0,1,0,0,0|2,0,0]=4 76 B9R1.8 NCCC1=CC=CN=C1 065473 [1,0,1,0,0,0|2,0,0]=4 77 B9R1.8 NCCC1=NC=CC=C1 013702 [1,0,1,0,0,0|2,0,0]=4 78 B9R1.8 OCCC1=CC=CN=C1 017523 [1,0,1,0,0,0|2,0,0]=4 79 B9R1.8 OCCC1=NC=CC=C1 223718 [1,0,1,0,0,0|2,0,0]=4 80 B9R1.15 CC1=CC=CN=C1CCl 234089 [1,0,1,0,0,0|2,0,0]=4 81 B9R1.15 CC1=CC=CN=C1CN 020197 [1,0,1,0,0,0|2,0,0]=4 82 B11R1.1 CCCCC1=CC=C(Br)C=C1 002481 [0,1,1,0,0,0|2,0,0]=4 83 B11R1.1 CCCCC1=CC=C(I)C=C1 241341 [0,1,1,0,0,0|2,0,0]=4 84 B11R1.1 CCCCC1=CC=C(N)C=C1 037413 [0,1,1,0,0,0|2,0,0]=4 85 B11R1.1 CCCCC1=CC=C(O)C=C1 358059 [0,1,1,0,0,0|2,0,0]=4 86 B11R1.16 CCC[C@@H](O)C1=CC=CC=C1 355875 [0,1,1,0,0,0|2,0,0]=4 87 B11R1.16 CCC[C@H](O)C1=CC=CC=C1 488025 [0,1,1,0,0,0|2,0,0]=4 88 B11R1.16 CCOC(=O)C1=NC=CN=C1 216407 [0,1,1,0,0,0|1,0,1]=4 89 B11R1.24 CC1=CC=CC(CCCO)=N1 032551 [0,1,1,0,0,0|2,0,0]=4 90 B11R1.24 CCCCC1=CC(N)=CC=C1 037562 [0,1,1,0,0,0|2,0,0]=4 91 B11R1.24 CCCCC1=CC=CC(Br)=C1 037560 [0,1,1,0,0,0|2,0,0]=4 92 B11R1.24 CCCCC1=CC=CC(I)=C1 037561 [0,1,1,0,0,0|2,0,0]=4 93 B11R1.28 BrCCCCC1=CC=CC=C1 008935 [0,1,1,0,0,0|2,0,0]=4 94 B11R1.28 CCCCNC1=CC=CC=C1 236771 [0,1,1,0,0,0|2,0,0]=4 95 B11R1.28 CCCCNC1=NC=CC=C1 102648 [0,1,1,0,0,0|1,0,0]=3 96 B11R1.28 CCCCOC1=CC=CC=C1 001072 [0,1,1,0,0,0|2,0,0]=4 97 B11R1.28 COCCSC1=NC=CC=C1 097658 [0,1,1,0,0,0|2,0,0]=4 98 B11R1.28 OCCCCC1=CC=CC=C1 003411 [0,1,1,0,0,0|2,0,0]=4 99 B11R1.28 OCCNCC1=CC=CN=C1 025443 [0,1,1,0,0,0|2,0,0]=4 100 B11R1.40 CCC(O)CC1=CC=CC=C1 103563 [0,1,1,0,0,0|2,0,0]=4 101 B11R1.91 CC(O)CCC1=CC=CC=C1 328963 [0,1,1,0,0,0|2,0,0]=4 102 B11R1.91 CN(C)CCC1=NC=CC=C1 098956 [0,1,1,0,0,0|2,0,0]=4 103 B11R1.53 CCC1=NC=CN=C1C(C)=O 002743 [0,1,1,0,0,0|0,0,1]=3 104 B11R2.1 NC1CCC2=C1C=CC=C2 219954 [0,1,0,0,1,0|2,0,0]=4 105 B11R2.1 OC1CCC2=CC=CC=C21 008845 [0,1,0,0,1,0|2,0,0]=4 106 B11R2.1 O[C@@H]1CCC2=CC=CC=C21 454961 [0,1,0,0,1,0|2,0,0]=4 107 B11R2.1 O[C@H]1CCC2=CC=CC=C21 106570 [0,1,0,0,1,0|2,0,0]=4 108 B11R2.10 NC1=NC2=C(CCCC2)S1 014152 [0,1,0,0,1,0|1,0,0]=3 109 B11R2.10 NC1CC2=C(C=CC=C2)C1 046718 [0,1,0,0,1,0|2,0,0]=4 110 B11R2.10 NC1CC2=C(C=CC=C2)C1 048090 [0,1,0,0,1,0|2,0,0]=4 111 B11R2.10 OC1CC2=C(C=CC=C2)C1 216695 [0,1,0,0,1,0|2,0,0]=4 112 B11R2.36 NC1=CC2=C(C=C1)CCC2 225604 [0,1,0,0,1,0|2,0,0]=4 113 B11R2.36 OC1=CC=C2CCCC2=C1 008833 [0,1,0,0,1,0|2,0,0]=4 114 B11R2.106 O=C1CCCC2=C1C=CN2 208821 [0,1,0,0,1,0|0,0,2]=4 115 B11R2.106 O=C1CCCC2=C1C=CS2 049580 [0,1,0,0,1,0|1,0,1]=4 116 B13R2.328 NC1=NC2=C(CCCC2)C(N)=N1 180297 [0,2,0,0,0,0|2,0,0]=4 117 B13R2.3122 CC1(O)CCCC2=CC=CC=C21 373877 [0,2,0,0,0,0|2,0,0]=4 118 B9R0.45 CCCC\C=C\C=C\C=O 106729 [0,0,2,0,0,0|2,0,0]=4 119 B9R1.33 CC1=C(CCO)SC=N1 067726 [0,0,1,0,1,0|2,0,0]=4 120 B9R1.12 CCCCN1C=CN=C1 078630 [0,0,1,0,1,0|1,0,0]=3 121 B9R1.12 NCCCN1C=CN=C1 046713 [0,0,1,0,1,0|2,0,0]=4 122 B9R1.12 OCCCN1C=CN=C1 034932 [0,0,1,0,1,0|2,0,0]=4