0 B11R1.28 C#CCNCC1=CC=CC=C1 SBB300092 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.28 CC#CCNC1=CC=CC=C1 SBB010305 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.28 CCCCCC1=CC=CC=C1 SBB057141 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.28 CCCCNC1=CC=CC=C1 SBB058812 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.28 CCCCOC1=CC=CC=C1 SBB060061 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.28 CCCNCC1=CC=CC=C1 SBB080024 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.28 CCCOCC1=CC=CC=C1 SBB061197 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.28 CNCCOC1=CC=CC=C1 SBB027283 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.28 COCCSC1=CC=CC=C1 SBB116878 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.28 ClCCCOC1=CC=CC=C1 SBB300461 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.28 ClCCNCC1=CC=CC=C1 SBB052393 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.28 N#CCCCC1=NC=CC=C1 SBB018559 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.28 N#CCCNC1=CC=CC=C1 SBB004106 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.28 NCCCCC1=NC=CC=C1 SBB018864 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.28 NCCCOC1=CC=CC=C1 SBB043657 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.28 NCCCSC1=CC=CC=C1 SBB071863 [0,0,0,0,0,0|3,0,1]=4 16 B11R1.28 NCCNCC1=CC=CC=C1 SBB028295 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.28 NCCOCC1=CC=CC=C1 SBB050278 [0,0,0,0,0,0|3,0,1]=4 18 B11R1.28 NCCOCC1=CC=CC=C1 SBB055150 [0,0,0,0,0,0|3,0,1]=4 19 B11R1.28 NCCSCC1=CC=CC=C1 SBB003512 [0,0,0,0,0,0|3,0,1]=4 20 B11R1.28 O=C=NCCC1=CC=CC=C1 SBB048864 [0,0,0,0,0,0|0,1,0]=1 21 B11R1.28 OCCNCC1=CC=CC=C1 SBB004062 [0,0,0,0,0,0|2,1,1]=4 22 B11R1.28 OCCOCC1=CC=CC=C1 SBB063066 [0,0,0,0,0,0|2,1,1]=4 23 B11R1.28 OCCSCC1=CC=CC=C1 SBB058901 [0,0,0,0,0,0|2,1,1]=4 24 B11R1.28 S=C=NCCC1=CC=CC=C1 SBB002732 [0,0,0,0,0,0|0,0,0]=0 25 B10R1.17 BrCCCC1=CN=CC=C1 SBB014930 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.17 BrCCOC1=CC=CC=C1 SBB042586 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.17 BrCCSC1=CC=CC=C1 SBB059699 [1,0,0,0,0,0|2,0,1]=4 28 B10R1.17 C#CCNC1=CC=CC=C1 SBB010262 [1,0,0,0,0,0|2,0,1]=4 29 B10R1.17 C#CCOC1=CC=CC=C1 SBB008983 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.17 C(=O)CCC1=CC=CC=C1 SBB006730 [1,0,0,0,0,0|0,1,1]=3 31 B10R1.17 C=CCCC1=CC=CC=C1 SBB008476 [1,0,0,0,0,0|1,0,1]=3 32 B10R1.17 CCCNC1=CC=CC=C1 SBB059800 [1,0,0,0,0,0|2,0,1]=4 33 B10R1.17 CCCOC1=CC=CC=C1 SBB061098 [1,0,0,0,0,0|2,0,1]=4 34 B10R1.17 CCNCC1=CC=CC=C1 SBB058765 [1,0,0,0,0,0|1,0,2]=4 35 B10R1.17 CCOCC1=CC=CC=C1 SBB061196 [1,0,0,0,0,0|2,0,1]=4 36 B10R1.17 CCSCC1=CC=CC=C1 SBB061362 [1,0,0,0,0,0|2,0,1]=4 37 B10R1.17 CNCCC1=NC=CC=C1 SBB017551 [1,0,0,0,0,0|1,0,2]=4 38 B10R1.17 CNCCC1=NC=CC=C1 SBB040053 [1,0,0,0,0,0|1,0,2]=4 39 B10R1.17 ClCCCC1=CC=CC=C1 SBB061361 [1,0,0,0,0,0|1,0,1]=3 40 B10R1.17 ClCOCC1=CC=CC=C1 SBB064207 [1,0,0,0,0,0|2,0,1]=4 41 B10R1.17 ClCSCC1=CC=CC=C1 SBB055458 [1,0,0,0,0,0|2,0,1]=4 42 B10R1.17 N#CCCC1=NC=CC=C1 SBB018592 [1,0,0,0,0,0|2,0,1]=4 43 B10R1.17 N#CCOC1=CC=CC=C1 SBB016774 [1,0,0,0,0,0|2,0,1]=4 44 B10R1.17 N#CSCC1=CC=CC=C1 SBB056767 [1,0,0,0,0,0|2,0,1]=4 45 B10R1.17 N(CC=C)C1=CC=CC=C1 SBB004211 [1,0,0,0,0,0|2,0,1]=4 46 B10R1.17 NCCCC1=CC=CC=C1 SBB028248 [1,0,0,0,0,0|1,0,1]=3 47 B10R1.17 NCCCC1=CC=CC=N1 SBB012768 [1,0,0,0,0,0|2,0,1]=4 48 B10R1.17 NCCNC1=CC=CC=C1 SBB004200 [1,0,0,0,0,0|2,0,1]=4 49 B10R1.17 NCCOC1=CC=CC=C1 SBB085982 [1,0,0,0,0,0|2,0,1]=4 50 B10R1.17 NCCSC1=CC=CC=C1 SBB047720 [1,0,0,0,0,0|2,0,1]=4 51 B10R1.17 O=C=NCC1=CC=CC=C1 SBB048859 [1,0,0,0,0,0|0,1,0]=2 52 B10R1.17 O=COCC1=CC=CC=C1 SBB061238 [1,0,0,0,0,0|1,1,1]=4 53 B10R1.17 OCCCC1=CC=CC=C1 SBB061127 [1,0,0,0,0,0|0,1,1]=3 54 B10R1.17 OCCCC1=CC=NC=C1 SBB072686 [1,0,0,0,0,0|1,1,1]=4 55 B10R1.17 OCCOC1=CC=CC=C1 SBB060485 [1,0,0,0,0,0|1,1,1]=4 56 B10R1.17 S=C=NCC1=CC=CC=C1 SBB002731 [1,0,0,0,0,0|0,0,0]=1 57 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 SBB008183 [1,0,0,0,0,0|2,0,0]=3 58 B12R1.1 CCCCCC1=CC=C(N)C=C1 SBB008338 [0,1,0,0,0,0|2,0,1]=4 59 B12R1.1 CCCCCC1=CC=C(O)C=C1 SBB059154 [0,1,0,0,0,0|2,0,1]=4 60 B12R1.1 CCNCCC1=CC=C(C)C=C1 SBB052427 [0,1,0,0,0,0|1,0,2]=4 61 B12R1.8 BrCCCOCC1=CC=CC=C1 SBB055279 [0,1,0,0,0,0|2,0,1]=4 62 B12R1.8 CC#CCNCC1=CC=CC=C1 SBB300108 [0,1,0,0,0,0|2,0,1]=4 63 B12R1.8 CCCCCOC1=CC=CC=C1 SBB060062 [0,1,0,0,0,0|2,0,1]=4 64 B12R1.8 CCCCOCC1=CC=CC=C1 SBB061154 [0,1,0,0,0,0|2,0,1]=4 65 B12R1.8 N#CCCNCC1=CC=CC=C1 SBB056785 [0,1,0,0,0,0|2,0,1]=4 66 B12R1.8 N#CCCNCC1=CC=CC=C1 SBB080384 [0,1,0,0,0,0|2,0,1]=4 67 B12R1.8 N#CCCOCC1=CC=CC=C1 SBB072745 [0,1,0,0,0,0|2,0,1]=4 68 B12R1.8 N(CCCC)CC1=CC=CC=C1 SBB006552 [0,1,0,0,0,0|2,0,1]=4 69 B12R1.8 NCCCNCC1=CC=CC=C1 SBB015090 [0,1,0,0,0,0|2,0,1]=4 70 B12R1.8 NCCCOCC1=CC=CC=C1 SBB072321 [0,1,0,0,0,0|2,0,1]=4 71 B12R1.8 OCCCNCC1=CC=CC=C1 SBB055297 [0,1,0,0,0,0|1,1,1]=4 72 B12R1.27 NNC(=O)CCC1=CC=CC=C1 SBB000151 [0,1,0,0,0,0|3,0,0]=4 73 B12R1.30 CCCCC(O)C1=CC=CC=C1 SBB063387 [0,1,0,0,0,0|2,0,1]=4 74 B12R1.30 CNCCC(O)C1=CC=CC=C1 SBB063260 [0,1,0,0,0,0|3,0,0]=4 75 B12R1.252 CC(=O)NCCC1=CC=CC=C1 SBB058213 [0,1,0,0,0,0|0,1,2]=4 76 B12R1.252 CC(=O)OCCC1=CC=CC=C1 SBB061194 [0,1,0,0,0,0|1,1,1]=4 77 B12R1.252 CC(C)NCCC1=CC=CC=C1 SBB080102 [0,1,0,0,0,0|1,0,2]=4 78 B12R1.252 CC(N)CCCC1=CC=CC=C1 SBB010444 [0,1,0,0,0,0|2,0,1]=4 79 B12R1.252 N=C(N)NCCC1=CC=CC=C1 SBB102430 [0,1,0,0,0,0|1,0,2]=4 80 B12R1.252 NC(=O)CCCC1=CC=CC=C1 SBB051450 [0,1,0,0,0,0|1,1,1]=4 81 B12R1.252 NC(=S)NCCC1=CC=CC=C1 SBB017394 [0,1,0,0,0,0|0,0,2]=3 82 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 SBB040702 [0,1,0,0,0,0|1,1,1]=4 83 B12R1.252 O=C(O)CCCC1=CC=CC=C1 SBB008452 [0,1,0,0,0,0|1,1,1]=4 84 B12R2.2 C1=CC=C(C2CCCC2)C=C1 SBB060080 [0,0,0,1,0,0|2,0,1]=4 85 B12R2.2 C1=CC=C(C2CCCN2)C=C1 SBB056158 [0,0,0,1,0,0|2,0,1]=4 86 B12R2.2 C1=CC=C(C2CCNC2)C=C1 SBB010168 [0,0,0,1,0,0|1,0,2]=4 87 B12R2.27 OCC1CC1C2=CC=CC=C2 SBB084422 [0,0,0,1,0,0|1,1,1]=4 88 B12R2.41 C1=CC2=C(C=C1)CCNCC2 SBB086557 [0,0,0,1,0,0|1,0,2]=4 89 B12R2.1081 NC1CCCC2=C1C=CC=C2 SBB000241 [0,0,0,1,0,0|2,0,1]=4 90 B12R2.1081 NC1CCCC2=C1C=CC=C2 SBB028283 [0,0,0,1,0,0|2,0,1]=4 91 B12R2.1081 O=C1CCCC2=C1C=CC=C2 SBB066987 [0,0,0,1,0,0|1,1,1]=4 92 B12R2.1081 OC1CCCC2=CC=CC=C21 SBB056331 [0,0,0,1,0,0|1,1,1]=4 93 B9R1.8 BrCCC1=CC=CC=C1 SBB059945 [2,0,0,0,0,0|1,0,0]=3 94 B9R1.8 BrCCC1=NC=CC=C1 SBB014931 [2,0,0,0,0,0|2,0,0]=4 95 B9R1.8 CCCC1=CC=CC=C1 SBB061210 [2,0,0,0,0,0|0,0,1]=3 96 B9R1.8 CCNC1=CC=CC=C1 SBB058818 [2,0,0,0,0,0|1,0,1]=4 97 B9R1.8 CNCC1=CC=CC=C1 SBB073015 [2,0,0,0,0,0|0,0,2]=4 98 B9R1.8 COCC1=CC=CC=C1 SBB063549 [2,0,0,0,0,0|1,0,1]=4 99 B9R1.8 ClCCC1=NC=CC=C1 SBB014886 [2,0,0,0,0,0|2,0,0]=4 100 B9R1.8 N#CCC1=CC=CC=C1 SBB058386 [2,0,0,0,0,0|0,0,2]=4 101 B9R1.8 NCCC1=CC=CC=C1 SBB058801 [2,0,0,0,0,0|0,0,1]=3 102 B9R1.8 NCCC1=CC=CN=C1 SBB028204 [2,0,0,0,0,0|1,0,1]=4 103 B9R1.8 NCCC1=CC=CN=C1 SBB052465 [2,0,0,0,0,0|1,0,1]=4 104 B9R1.8 NCCC1=CC=NC=C1 SBB014221 [2,0,0,0,0,0|1,0,1]=4 105 B9R1.8 NCCC1=NC=CC=C1 SBB028206 [2,0,0,0,0,0|1,0,1]=4 106 B9R1.8 NNCC1=CC=CC=C1 SBB063024 [2,0,0,0,0,0|1,0,1]=4 107 B9R1.8 NOCC1=CC=CC=C1 SBB003971 [2,0,0,0,0,0|1,0,1]=4 108 B9R1.8 NOCC1=CC=CC=C1 SBB032957 [2,0,0,0,0,0|1,0,1]=4 109 B9R1.8 O=CCC1=CC=CC=C1 SBB061710 [2,0,0,0,0,0|0,1,1]=4 110 B9R1.8 O=S=NC1=CC=CC=C1 SBB007761 [2,0,0,0,0,0|1,1,0]=4 111 B9R1.8 OCCC1=CC=CC=C1 SBB040879 [2,0,0,0,0,0|0,1,0]=3 112 B9R1.8 S=C=NC1=CC=CC=C1 SBB040940 [2,0,0,0,0,0|0,0,0]=2 113 B9R1.8 SCCC1=CC=NC=C1 SBB065275 [2,0,0,0,0,0|1,0,1]=4 114 B11R1.1 C=CCCC1=CC=C(F)C=C1 SBB008824 [1,1,0,0,0,0|1,0,1]=4 115 B11R1.1 CCCCC1=CC=C(Cl)C=C1 SBB116909 [1,1,0,0,0,0|1,0,1]=4 116 B11R1.1 CCCCC1=CC=C(N)C=C1 SBB008298 [1,1,0,0,0,0|1,0,1]=4 117 B11R1.1 CCCCC1=CC=C(O)C=C1 SBB059153 [1,1,0,0,0,0|1,0,1]=4 118 B11R1.1 FC1=CC=C(CN=C=S)C=C1 SBB066522 [1,1,0,0,0,0|0,0,0]=2 119 B11R1.1 N#CCCC1=CC=C(O)C=C1 SBB055251 [1,1,0,0,0,0|1,0,1]=4 120 B11R1.1 NCCCC1=CC=C(Cl)C=C1 SBB010509 [1,1,0,0,0,0|1,0,1]=4 121 B11R1.1 OCCCC1=CC=C(Cl)C=C1 SBB055172 [1,1,0,0,0,0|0,1,1]=4 122 B11R1.16 CC(CCN)C1=CC=CC=C1 SBB085501 [1,1,0,0,0,0|1,0,1]=4 123 B11R1.16 CC(N=C=O)C1=CC=CC=C1 SBB023344 [1,1,0,0,0,0|0,1,0]=3 124 B11R1.16 CC(N=C=S)C1=CC=CC=C1 SBB029868 [1,1,0,0,0,0|0,0,0]=2 125 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 SBB070021 [1,1,0,0,0,0|1,0,1]=4 126 B11R1.16 CNCC(C)C1=CC=CC=C1 SBB028094 [1,1,0,0,0,0|0,0,2]=4 127 B11R1.16 O=C(N=C=S)C1=CC=CC=C1 SBB068862 [1,1,0,0,0,0|0,0,1]=3 128 B11R1.16 O=C=NC(=O)C1=CC=CC=C1 SBB067603 [1,1,0,0,0,0|0,1,1]=4 129 B11R1.17 NCCCC1=CC=CC=C1Cl SBB010508 [1,1,0,0,0,0|1,0,1]=4 130 B11R1.24 N#CCCC1=CC(Br)=CC=C1 SBB058929 [1,1,0,0,0,0|1,0,1]=4 131 B11R1.40 N\C(CC1=CC=CC=C1)=N/O SBB055188 [1,1,0,0,0,0|0,1,1]=4 132 B11R1.91 CC(=O)CCC1=CC=CC=C1 SBB058827 [1,1,0,0,0,0|0,1,1]=4 133 B11R1.91 CC(N)CCC1=CC=CC=C1 SBB059846 [1,1,0,0,0,0|1,0,1]=4 134 B11R1.91 NC(=O)CCC1=CC=CC=C1 SBB058119 [1,1,0,0,0,0|0,1,1]=4 135 B11R1.91 NC(=S)CCC1=NC=CC=C1 SBB019122 [1,1,0,0,0,0|1,0,1]=4 136 B11R1.91 NC(=S)COC1=CC=CC=C1 SBB016514 [1,1,0,0,0,0|1,0,1]=4 137 B11R1.91 NC(=S)NCC1=CC=CC=C1 SBB088032 [1,1,0,0,0,0|0,0,2]=4 138 B11R1.91 NC(N)=NCC1=CC=CC=C1 SBB055108 [1,1,0,0,0,0|1,0,1]=4 139 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 SBB058859 [1,1,0,0,0,0|0,1,1]=4 140 B11R1.91 O=C(O)CCC1=CC=CC=C1 SBB056662 [1,1,0,0,0,0|0,1,1]=4 141 B11R1.91 OB(O)CCC1=CC=CC=C1 SBB071100 [1,1,0,0,0,0|1,1,0]=4 142 B13R1.718 NNC(=S)NCCC1=CC=CC=C1 SBB017740 [0,2,0,0,0,0|0,0,2]=4 143 B11R2.1 NC1=NCC2=C1C=CC=C2 SBB003870 [1,0,0,1,0,0|1,0,1]=4 144 B11R2.1 NC1=NCC2=C1C=CC=C2 SBB003871 [1,0,0,1,0,0|1,0,1]=4 145 B11R2.1 NC1CCC2=C1C=CC=C2 SBB004212 [1,0,0,1,0,0|1,0,1]=4 146 B11R2.1 O=C1CCC2=CC=CC=C12 SBB056339 [1,0,0,1,0,0|0,1,1]=4 147 B11R2.20 C1=CC2=C(C=C1)CCCC2 SBB060619 [1,0,0,1,0,0|1,0,1]=4 148 B11R2.20 C1=CC2=C(C=C1)CNCC2 SBB027303 [1,0,0,1,0,0|0,0,2]=4 149 B11R2.20 C1=CC=C2NCCCC2=C1 SBB040463 [1,0,0,1,0,0|1,0,1]=4 150 B11R2.988 N#CC1CC2=CC=CC=C21 SBB056297 [1,0,0,1,0,0|1,0,1]=4 151 B9R1.12 S=C=NCC1=CC=CO1 SBB017397 [1,0,0,0,1,0|1,0,0]=3