0 B12R1.125 C=C(C)COC1=CC=CC=C1N SBB080151 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.125 CC(=O)NCC1=C(Br)C=CC=C1 SBB079113 [0,0,0,0,0,0|3,1,0]=4 2 B12R1.125 CC(C)COC1=C(N)C=CC=C1 SBB080113 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.125 CC(C)NCC1=C(F)C=CC=C1 SBB109026 [0,0,0,0,0,0|2,1,0]=3 4 B12R1.125 CC1=CC=CC=C1CCC(=O)O SBB067749 [0,0,0,0,0,0|4,0,0]=4 5 B12R1.125 N=C(N)COC1=CC=CC=C1Cl SBB055296 [0,0,0,0,0,0|4,0,0]=4 6 B12R1.125 NC(=O)COC1=CC=CC=C1Cl SBB116750 [0,0,0,0,0,0|4,0,0]=4 7 B12R1.125 NC(=S)COC1=CC=CC=C1Cl SBB092832 [0,0,0,0,0,0|4,0,0]=4 8 B12R1.125 O=C(O)CCC1=CC=CC=C1Br SBB064066 [0,0,0,0,0,0|3,1,0]=4 9 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl SBB069087 [0,0,0,0,0,0|3,0,0]=3 10 B12R1.125 O=C(O)CCC1=CC=CC=C1F SBB010203 [0,0,0,0,0,0|3,1,0]=4 11 B12R1.125 O=C(O)CCC1=CC=CC=C1O SBB063739 [0,0,0,0,0,0|4,0,0]=4 12 B12R1.125 O=C(O)CNC1=CC=CC=C1Cl SBB063875 [0,0,0,0,0,0|4,0,0]=4 13 B12R1.125 O=C(O)COC1=CC=CC=C1Cl SBB004546 [0,0,0,0,0,0|4,0,0]=4 14 B11R1.17 CCCOC1=CC=CC=C1C SBB060850 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.17 CCCOC1=CC=CC=C1N SBB027936 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.17 N#CCOC1=C(Cl)C=CC=C1 SBB088116 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.17 NCCCC1=CC=CC=C1Cl SBB010508 [1,0,0,0,0,0|2,0,0]=3 18 B11R1.17 NCCOC1=CC=CC=C1Cl SBB017899 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.91 CC(=O)CCC1=CC=CC=C1 SBB058827 [1,0,0,0,0,0|2,0,0]=3 20 B11R1.91 CC(=O)OCC1=CC=CC=C1 SBB058375 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.91 CC(C)=CCC1=CC=CC=C1 SBB007979 [1,0,0,0,0,0|1,0,1]=3 22 B11R1.91 CC(C)NCC1=CC=CC=C1 SBB048017 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.91 CC(N)CCC1=CC=CC=C1 SBB059846 [1,0,0,0,0,0|2,0,0]=3 24 B11R1.91 CC(N)COC1=CC=CC=C1 SBB084093 [1,0,0,0,0,0|3,0,0]=4 25 B11R1.91 CN(C)CCC1=NC=CC=C1 SBB086734 [1,0,0,0,0,0|1,0,0]=2 26 B11R1.91 CN(C)\C=N\C1=CC=CC=C1 SBB007927 [1,0,0,0,0,0|1,0,1]=3 27 B11R1.91 NC(=O)CCC1=CC=CC=C1 SBB058119 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 SBB058859 [1,0,0,0,0,0|3,0,0]=4 29 B11R1.91 O=C(O)CCC1=CC=CC=C1 SBB056662 [1,0,0,0,0,0|3,0,0]=4 30 B11R1.91 OB(O)CCC1=CC=CC=C1 SBB071100 [1,0,0,0,0,0|3,0,0]=4 31 B13R1.90 CC(C)COC1=CC=CC=C1C=O SBB009331 [0,1,0,0,0,0|3,0,0]=4 32 B13R1.164 O=C(O)CCC1=CC=C(Cl)C=C1Cl SBB052720 [0,1,0,0,0,0|3,0,0]=4 33 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1Cl SBB042795 [0,1,0,0,0,0|3,0,0]=4 34 B13R1.202 CC(CC1=C(Cl)C=CC=C1)C(=O)O SBB302222 [0,1,0,0,0,0|3,0,0]=4 35 B13R1.202 N[C@@H](CC1=CC=CC=C1Cl)C(=O)O SBB003552 [0,1,0,0,0,0|3,0,0]=4 36 B13R1.528 CCC(C)NCC1=C(C)C=CC=C1 SBB080106 [0,1,0,0,0,0|3,0,0]=4 37 B13R1.528 CCC(C)NCC1=C(Cl)C=CC=C1 SBB080109 [0,1,0,0,0,0|2,0,0]=3 38 B13R1.528 CNC(=O)CCC1=C(N)C=CC=C1 SBB080459 [0,1,0,0,0,0|3,0,0]=4 39 B13R1.528 COC(=O)COC1=CC=CC=C1Cl SBB072684 [0,1,0,0,0,0|3,0,0]=4 40 B13R1.528 O=C(CCl)NCC1=C(Cl)C=CC=C1 SBB037897 [0,1,0,0,0,0|3,0,0]=4 41 B13R2.222 CC1(C)CCC2=C(C=CC=C2)O1 SBB087638 [0,0,0,1,0,0|2,0,0]=3 42 B13R2.3587 FC1=C(CNC2CC2)C=CC=C1 SBB085355 [0,0,0,1,0,0|2,1,0]=4 43 B13R2.3587 OC1=C(CNC2CC2)C=CC=C1 SBB025290 [0,0,0,1,0,0|3,0,0]=4 44 B11R1.86 CC(=O)CC1=CC=CC=C1Cl SBB054187 [0,0,0,0,1,0|2,0,0]=3 45 B11R1.86 CC(=O)CC1=CC=CC=C1F SBB086844 [0,0,0,0,1,0|2,1,0]=4 46 B11R1.86 CC(=O)NC1=C(Cl)C=CC=C1 SBB084427 [0,0,0,0,1,0|3,0,0]=4 47 B11R1.86 CC(C)OC1=CC=CC=C1N SBB010329 [0,0,0,0,1,0|3,0,0]=4 48 B11R1.86 CC1=CC=CC=C1OC(C)C SBB079028 [0,0,0,0,1,0|3,0,0]=4 49 B11R1.86 CN(C)CC1=C(Br)C=CC=C1 SBB109891 [0,0,0,0,1,0|0,1,0]=2 50 B11R1.86 CN(C)CC1=C(O)C=CC=C1 SBB080144 [0,0,0,0,1,0|1,0,0]=2 51 B11R1.86 CN(C)CC1=C(O)C=CC=C1 SBB111386 [0,0,0,0,1,0|1,0,0]=2 52 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 SBB057750 [0,0,0,0,1,0|3,0,0]=4 53 B13R1.158 CC(O)CNCC1=C(F)C=CC=C1 SBB010700 [0,0,0,0,0,1|2,1,0]=4 54 B13R1.158 CN(C)CCOC1=C(N)C=CC=C1 SBB089707 [0,0,0,0,0,1|1,0,0]=2 55 B10R1.4 CCCC1=CC=CC=C1N SBB085906 [2,0,0,0,0,0|1,0,0]=3 56 B10R1.4 CCCN1C=CC=CC1=O SBB008029 [2,0,0,0,0,0|2,0,0]=4 57 B10R1.4 CCNC1=CC=CC=C1N SBB111820 [2,0,0,0,0,0|2,0,0]=4 58 B10R1.4 CCOC1=C(F)C=CC=C1 SBB086154 [2,0,0,0,0,0|1,1,0]=4 59 B10R1.4 CCOC1=CC=CC=C1C SBB060978 [2,0,0,0,0,0|2,0,0]=4 60 B10R1.4 CCOC1=CC=CC=C1Cl SBB061024 [2,0,0,0,0,0|1,0,0]=3 61 B10R1.4 CCOC1=CC=CC=C1O SBB060424 [2,0,0,0,0,0|2,0,0]=4 62 B10R1.4 CNCC1=C(Br)C=CC=C1 SBB092552 [2,0,0,0,0,0|0,1,0]=3 63 B10R1.4 CNCC1=CC=CC=C1Cl SBB010370 [2,0,0,0,0,0|0,0,0]=2 64 B10R1.4 CNCC1=CC=CC=C1F SBB086087 [2,0,0,0,0,0|0,1,0]=3 65 B10R1.4 FC1=C(CCBr)C=CC=C1 SBB018050 [2,0,0,0,0,0|1,1,0]=4 66 B10R1.4 N#CCC1=CC=CC=C1Cl SBB063987 [2,0,0,0,0,0|0,0,2]=4 67 B10R1.4 NC1=C(OCC)C=CC=C1 SBB006726 [2,0,0,0,0,0|2,0,0]=4 68 B10R1.4 NNCC1=CC=CC=C1Cl SBB010382 [2,0,0,0,0,0|1,0,0]=3 69 B10R1.4 OCCC1=C(F)C=CC=C1 SBB086155 [2,0,0,0,0,0|1,1,0]=4 70 B10R1.17 C(=O)CCC1=CC=CC=C1 SBB006730 [2,0,0,0,0,0|2,0,0]=4 71 B10R1.17 C=CCCC1=CC=CC=C1 SBB008476 [2,0,0,0,0,0|1,0,1]=4 72 B10R1.17 CCCNC1=CC=CC=C1 SBB059800 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.17 CCCOC1=CC=CC=C1 SBB061098 [2,0,0,0,0,0|2,0,0]=4 74 B10R1.17 CCNCC1=CC=CC=C1 SBB058765 [2,0,0,0,0,0|2,0,0]=4 75 B10R1.17 CCOCC1=CC=CC=C1 SBB061196 [2,0,0,0,0,0|2,0,0]=4 76 B10R1.17 CCSCC1=CC=CC=C1 SBB061362 [2,0,0,0,0,0|2,0,0]=4 77 B10R1.17 CNCCC1=NC=CC=C1 SBB017551 [2,0,0,0,0,0|1,0,0]=3 78 B10R1.17 CNCCC1=NC=CC=C1 SBB040053 [2,0,0,0,0,0|1,0,0]=3 79 B10R1.17 ClCCCC1=CC=CC=C1 SBB061361 [2,0,0,0,0,0|2,0,0]=4 80 B10R1.17 NCCCC1=CC=CC=C1 SBB028248 [2,0,0,0,0,0|2,0,0]=4 81 B10R1.17 OCCCC1=CC=CC=C1 SBB061127 [2,0,0,0,0,0|2,0,0]=4 82 B12R1.267 CCCCOC1=C(N)C=CC=C1 SBB001578 [1,1,0,0,0,0|2,0,0]=4 83 B12R1.267 CNCCOC1=C(C)C=CC=C1 SBB080543 [1,1,0,0,0,0|1,0,0]=3 84 B12R1.267 CNCCOC1=C(F)C=CC=C1 SBB085380 [1,1,0,0,0,0|0,1,0]=3 85 B12R1.267 COCCOC1=C(N)C=CC=C1 SBB085487 [1,1,0,0,0,0|2,0,0]=4 86 B12R1.267 NCCOCC1=CC=CC=C1Cl SBB005406 [1,1,0,0,0,0|2,0,0]=4 87 B12R1.267 NCCSCC1=CC=CC=C1Cl SBB076799 [1,1,0,0,0,0|2,0,0]=4 88 B12R1.267 OCCNCC1=C(Cl)C=CC=C1 SBB010731 [1,1,0,0,0,0|2,0,0]=4 89 B12R1.308 NC(CCO)C1=CC=CC=C1Cl SBB301633 [1,1,0,0,0,0|2,0,0]=4 90 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 SBB056768 [1,1,0,0,0,0|2,0,0]=4 91 B12R1.21 CC(C)COC1=CC=C(N)C=C1 SBB079898 [1,1,0,0,0,0|2,0,0]=4 92 B12R1.21 CC(C)NCC1=CC=C(F)C=C1 SBB109028 [1,1,0,0,0,0|2,0,0]=4 93 B12R1.21 CC(N)CCC1=CC=C(Cl)C=C1 SBB010707 [1,1,0,0,0,0|2,0,0]=4 94 B12R1.21 CC(N)CCC1=CC=C(F)C=C1 SBB010486 [1,1,0,0,0,0|2,0,0]=4 95 B12R1.21 CN(C)\N=C\C1=CC=C(Cl)C=C1 SBB089967 [1,1,0,0,0,0|1,0,1]=4 96 B12R1.27 CC(CO)NCC1=CC=CC=C1 SBB010465 [1,1,0,0,0,0|2,0,0]=4 97 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 SBB014560 [1,1,0,0,0,0|2,0,0]=4 98 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 SBB058215 [1,1,0,0,0,0|1,0,1]=4 99 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 SBB063237 [1,1,0,0,0,0|1,0,1]=4 100 B12R1.107 N(C(C)C)[C@H](C)C1=CC=CC=C1 SBB059587 [1,1,0,0,0,0|2,0,0]=4 101 B12R1.226 CC(=O)CCC1=CC(Br)=CC=C1 SBB055142 [1,1,0,0,0,0|2,0,0]=4 102 B12R1.226 CC(C)COC1=CC(N)=CC=C1 SBB027489 [1,1,0,0,0,0|2,0,0]=4 103 B12R1.226 CC(C)NCC1=CC(F)=CC=C1 SBB109027 [1,1,0,0,0,0|2,0,0]=4 104 B12R1.891 CC(C)(C)NCC1=CC=CC=C1 SBB072754 [1,1,0,0,0,0|2,0,0]=4 105 B12R1.75 CN(C)CC1=C(CN)C=CC=C1 SBB108986 [0,1,0,0,1,0|1,0,0]=3 106 B12R1.124 CN(C)C(=O)C1=CC=CC=C1N SBB079890 [0,1,0,0,1,0|1,0,1]=4 107 B12R1.124 CN(C)C(=O)C1=CC=CN=C1Cl SBB047067 [0,1,0,0,1,0|1,0,1]=4 108 B12R1.127 CN(C)CC1=C(O)C=CC(F)=C1 SBB088301 [0,1,0,0,1,0|1,0,0]=3 109 B12R1.233 CC(C)OC1=C(Cl)C=C(F)C=C1 SBB090862 [0,1,0,0,1,0|2,0,0]=4 110 B12R1.233 CC(C)OC1=C(Cl)C=C(N)C=C1 SBB085428 [0,1,0,0,1,0|2,0,0]=4 111 B14R1.96 CC(C)CCOC1=CC=CC=C1C=O SBB020836 [0,1,0,0,0,1|2,0,0]=4 112 B14R1.96 CN(C)CCOC1=C(C=O)C=CC=C1 SBB085271 [0,1,0,0,0,1|1,0,0]=3 113 B14R1.161 CN(C)C(=O)CCC1=C(N)C=CC=C1 SBB080440 [0,1,0,0,0,1|1,0,0]=3 114 B14R1.4464 CC1=CC=C(OCCN(C)C)C(N)=C1 SBB302521 [0,1,0,0,0,1|1,0,0]=3 115 B12R1.54 CN(C)CCC(=O)C1=CC=CS1 SBB090070 [0,0,1,1,0,0|2,0,0]=4 116 B12R2.24 CC1CCC2=CC=CC=C2N1 SBB039108 [1,0,0,1,0,0|2,0,0]=4 117 B12R2.41 C1=CC2=C(C=C1)CCNCC2 SBB086557 [1,0,0,1,0,0|1,0,0]=3 118 B12R2.1081 NC1=C2CCCCC2=CC=C1 SBB004091 [1,0,0,1,0,0|2,0,0]=4 119 B12R2.1081 OC1=C2CCCCC2=CC=C1 SBB059308 [1,0,0,1,0,0|2,0,0]=4 120 B12R2.95 CC1(C)CC2=CC=CC=C2O1 SBB049505 [0,0,0,1,1,0|2,0,0]=4 121 B14R2.2 N1C=C(CN(C)C)C2=C1C=CC=C2 SBB003799 [0,1,0,1,0,0|1,0,1]=4 122 B14R2.4687 NC1=CC=C(OCC2CC2)C(Cl)=C1 SBB024410 [0,1,0,1,0,0|2,0,0]=4 123 B14R2.29496 CC1(C)CC(N)C2=CC=CC=C2O1 SBB303147 [0,1,0,1,0,0|2,0,0]=4 124 B14R2.29496 CC1CC(C)(C)NC2=CC=CC=C21 SBB012707 [0,1,0,1,0,0|2,0,0]=4 125 B10R1.18 CC(C)NC1=CC=CC=C1 SBB007921 [1,0,0,0,1,0|2,0,0]=4 126 B10R1.18 CN(C)CC1=CC=CC=C1 SBB060233 [1,0,0,0,1,0|0,0,0]=2 127 B10R1.61 CC(=O)C1=CC=CC=C1Cl SBB040259 [0,0,0,0,2,0|2,0,0]=4 128 B10R1.61 CC(C)C1=C(Br)C=CC=C1 SBB092412 [0,0,0,0,2,0|1,1,0]=4 129 B10R1.61 CC(C)C1=C(N)C=CC=C1 SBB040455 [0,0,0,0,2,0|2,0,0]=4 130 B10R1.61 CC(N)C1=C(Cl)C=CC=C1 SBB046790 [0,0,0,0,2,0|2,0,0]=4 131 B10R1.61 CN(C)C1=C(N)C=NC=C1 SBB050376 [0,0,0,0,2,0|2,0,0]=4 132 B10R1.61 C[C@H](O)C1=CC=CC=C1Cl SBB064728 [0,0,0,0,2,0|2,0,0]=4 133 B14R1.159 CN(C)CCNCC1=C(F)C=CC=C1 SBB085464 [0,0,0,0,0,2|0,1,0]=3