0 B12R1.125 C1=CC(=C(C=C1)Br)CCC(=O)O AK-32403 [0,0,0,0,0,0|3,1,0]=4 1 B12R1.125 CC(NCC1=CC=CC=C1O)=O AK596956 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl AK-40026 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.125 O=C(O)CCC1=CC=CC=C1F AK-43239 [0,0,0,0,0,0|3,1,0]=4 4 B11R1.17 CCCOC1=C(O)C=CC=C1 AK111500 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.17 N#CCCC1=CC=CC=C1Cl AK115012 [1,0,0,0,0,0|2,0,0]=3 6 B11R1.17 OCCCC1=CC=CC=C1Br AK-48306 [1,0,0,0,0,0|2,1,0]=4 7 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 AK109324 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.91 O=C(N)CCC1=CC=CC=C1 AK392491 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.91 O=C(O)CCC1=CC=CC=C1 AK-94756 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.91 OB(CCC1=CC=CC=C1)O AK-61775 [1,0,0,0,0,0|3,0,0]=4 11 B13R1.164 CC(C)COC1=NC=C(Br)C=C1Cl AK501412 [0,1,0,0,0,0|3,0,0]=4 12 B13R1.164 O=C(O)CCC1=CC=C(F)C=C1Cl AK-45828 [0,1,0,0,0,0|3,0,0]=4 13 B13R1.202 C1=C(C(=CC=C1)Cl)CC(C(O)=O)N AK-59197 [0,1,0,0,0,0|3,0,0]=4 14 B13R1.202 N[C@H](CC1=CC=CC=C1Cl)C(O)=O AK-44107 [0,1,0,0,0,0|3,0,0]=4 15 B13R1.202 O=C(O)[C@@H](N)CC1=CC=CC=C1Cl AK109418 [0,1,0,0,0,0|3,0,0]=4 16 B13R1.528 COC(=O)CCC1=CC=CC=C1Br AK-48437 [0,1,0,0,0,0|2,1,0]=4 17 B13R1.893 O=C(O)CCC1=CC(Cl)=CC=C1Cl AK548678 [0,1,0,0,0,0|3,0,0]=4 18 B13R2.5179 OC1=CC=CC2=C1CCN(C)C2 AK406693 [0,0,0,1,0,0|1,0,0]=2 19 B11R1.86 C1=C(CC(=O)C)C(=CC=C1)Br AK-47295 [0,0,0,0,1,0|2,1,0]=4 20 B11R1.86 C1=C(OC(C)C)C(=CC=C1)N AK-39887 [0,0,0,0,1,0|3,0,0]=4 21 B11R1.86 CC(C)OC1=CC=CC=C1Br AK-45390 [0,0,0,0,1,0|2,1,0]=4 22 B11R1.86 CC(CC1=CC=CC=C1F)=O AK117069 [0,0,0,0,1,0|2,1,0]=4 23 B11R1.86 OC1=CC=CN=C1CN(C)C AK-34123 [0,0,0,0,1,0|2,0,0]=3 24 B10R1.4 BrC1=CC=CC=C1CCO AK-70908 [2,0,0,0,0,0|1,1,0]=4 25 B10R1.4 CC1=CC=CC=C1CCO AK117334 [2,0,0,0,0,0|2,0,0]=4 26 B10R1.4 CC1=CC=CC=C1CNC AK-89673 [2,0,0,0,0,0|1,0,0]=3 27 B10R1.4 CNCC1=CC=CC=C1Br AK-16712 [2,0,0,0,0,0|0,1,0]=3 28 B10R1.4 CNCC1=CC=CC=C1F AK-16716 [2,0,0,0,0,0|0,1,0]=3 29 B10R1.4 ClC1=CC=CC=C1CCO AK-45697 [2,0,0,0,0,0|1,0,0]=3 30 B10R1.4 FC1=CC=CC=C1CCN AK-98141 [2,0,0,0,0,0|0,1,0]=3 31 B10R1.4 NC1=CC=CC=C1CCN AK-88349 [2,0,0,0,0,0|1,0,0]=3 32 B10R1.4 NCCC1=C(Cl)C=CC=C1 AK-57465 [2,0,0,0,0,0|0,0,0]=2 33 B10R1.4 NCCC1=CC=CC=C1Br AK-47292 [2,0,0,0,0,0|0,1,0]=3 34 B10R1.4 NNCC1=CC=CC=C1F AK-35444 [2,0,0,0,0,0|1,1,0]=4 35 B10R1.4 NOCC1=CC=CC=C1F AK-69176 [2,0,0,0,0,0|1,1,0]=4 36 B10R1.4 OC1=CC=CC=C1CCN AK114741 [2,0,0,0,0,0|1,0,0]=3 37 B10R1.4 OC1=CC=CC=C1COC AK151421 [2,0,0,0,0,0|2,0,0]=4 38 B10R1.4 OC1=CC=CC=C1OCC AK-94233 [2,0,0,0,0,0|2,0,0]=4 39 B10R1.4 OCCC1=CC=CC=C1I AK149280 [2,0,0,0,0,0|1,1,0]=4 40 B10R1.4 OCCC1=CC=CC=C1N AK-35531 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.17 CCCC[N+]1=CC=CC=C1 AK107641 [2,0,0,0,0,0|2,0,0]=4 42 B10R1.17 CCCC[N+]1=CC=CC=C1 AK676172 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.17 CCCOC1=CC=CC=C1 AK544046 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.17 CNCCC1=CC=CN=C1 AK-33941 [2,0,0,0,0,0|1,0,0]=3 45 B10R1.17 CNCCC1=NC=CC=C1 AK163686 [2,0,0,0,0,0|1,0,0]=3 46 B10R1.17 NOCCC1=CC=CC=C1 AK-58452 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.17 O=CCCC1=CC=CC=C1 AK-41238 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.17 OCCCC1=CC=CC=C1 AK114527 [2,0,0,0,0,0|2,0,0]=4 49 B12R1.69 OC1=CC=C(CCCC)C(O)=C1 AK-81459 [1,1,0,0,0,0|2,0,0]=4 50 B12R1.308 CCC[C@H](C1=CC=CC=C1C)N AK683690 [1,1,0,0,0,0|2,0,0]=4 51 B12R1.371 O=C(OC)CC1=CC=CC=C1Cl AK-40007 [1,1,0,0,0,0|1,0,1]=4 52 B12R1.371 OCC(N)CC1=CC=CC=C1Cl AK158852 [1,1,0,0,0,0|2,0,0]=4 53 B12R1.21 CC(CCC1=CC=C(O)C=C1)=O AK114178 [1,1,0,0,0,0|2,0,0]=4 54 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 AK111281 [1,1,0,0,0,0|0,0,0]=2 55 B12R1.27 C1=C(CCC(OC)=O)C=CC=C1 AK-41212 [1,1,0,0,0,0|2,0,0]=4 56 B12R1.27 C[C@H](NCC1=CC=CC=C1)CO AK112680 [1,1,0,0,0,0|2,0,0]=4 57 B12R1.27 O=C(CCC1=CC=CC=C1)CBr AK-40603 [1,1,0,0,0,0|2,0,0]=4 58 B12R1.43 CC(CC1=CC=CC=C1)C(C)=O AK-89817 [1,1,0,0,0,0|2,0,0]=4 59 B12R1.127 CC(OC1=CC(Br)=CC=C1Cl)C AK167908 [0,1,0,0,1,0|2,0,0]=4 60 B12R1.233 CC(OC1=CC=C(Br)C=C1Cl)C AK-61659 [0,1,0,0,1,0|2,0,0]=4 61 B14R1.160 CC(NCC(O)C1=CC=CC=C1Cl)C AK-54925 [0,1,0,0,0,1|1,0,0]=3 62 B12R1.54 O=C(C1=CC=CS1)CCN(C)C AK115467 [0,0,1,1,0,0|2,0,0]=4 63 B12R1.252 CN(C)CCOC1=CC=CC=C1 AK-58292 [0,0,1,1,0,0|2,0,0]=4 64 B12R2.24 CC1CCC2=CC=CC=C2N1 AK-33768 [1,0,0,1,0,0|2,0,0]=4 65 B12R2.32 CNC1CC2=C(C=CC=C2)C1 AK119636 [1,0,0,1,0,0|1,0,0]=3 66 B12R2.41 N1CCCCC2=C1C=CC=C2 AK-21952 [1,0,0,1,0,0|2,0,0]=4 67 B12R2.196 ClC1=C2C(=CC=C1)C(CC2)=O AK-28796 [1,0,0,1,0,0|2,0,0]=4 68 B12R2.196 NC1CCC2=C1C=CC=C2Cl AK164257 [1,0,0,1,0,0|2,0,0]=4 69 B12R2.1081 BrC1=CC=CC2=C1CCNC2 AK-30487 [1,0,0,1,0,0|0,1,0]=3 70 B12R2.1081 BrC1=CC=CC2=C1CCNC2 AK-31737 [1,0,0,1,0,0|0,1,0]=3 71 B12R2.1081 ClC1=C2C(=CC=C1)NCCC2 AK-39782 [1,0,0,1,0,0|2,0,0]=4 72 B12R2.1081 ClC1=CC=CC2=C1CNCC2 AK-74292 [1,0,0,1,0,0|2,0,0]=4 73 B12R2.1081 ClC1=CC=CC2=C1NCCC2 AK151548 [1,0,0,1,0,0|2,0,0]=4 74 B12R2.1081 FC1=CC=CC2=C1CCNC2 AK-30479 [1,0,0,1,0,0|0,1,0]=3 75 B12R2.1081 NC1=CC=CC2=C1CCNC2 AK101759 [1,0,0,1,0,0|1,0,0]=3 76 B12R2.22 NC1CC(C2=CC=CC=C2)C1 AK186081 [1,0,0,1,0,0|2,0,0]=4 77 B12R2.2403 CC1(C)CNC2=C1C=CC=C2 AK139225 [1,0,0,1,0,0|2,0,0]=4 78 B12R2.202 O=C1CC2=C(C(Cl)=CC=C2)C1 AK113491 [0,0,0,1,1,0|2,0,0]=4 79 B14R2.6175 O=C1C(C)(C)CCC2=C1C=CC=C2 AK375145 [0,1,0,1,0,0|2,0,0]=4 80 B14R2.29496 CC1CC(C)(C)NC2=C1C=CC=C2 AK100273 [0,1,0,1,0,0|2,0,0]=4 81 B14R2.4634 ClC1=CC=CC=C1COC2CNC2 AK-71896 [0,1,0,1,0,0|2,0,0]=4 82 B10R1.18 CC(C)OC1=CC=CC=C1 AK110874 [1,0,0,0,1,0|2,0,0]=4 83 B10R1.18 C\C(C)=C/C1=CC=CC=C1 AK113914 [1,0,0,0,1,0|1,0,1]=4 84 B10R1.61 C1=CC(=C(C=C1)N(C)C)N AK-65098 [0,0,0,0,2,0|1,0,0]=3 85 B10R1.61 CC(C1=CC=CC=C1Br)C AK-80369 [0,0,0,0,2,0|1,1,0]=4 86 B10R1.61 CC(C1=CC=CC=C1I)C AK113600 [0,0,0,0,2,0|1,1,0]=4 87 B10R1.61 CC(N)C1=CC=CC=C1Cl AK-78769 [0,0,0,0,2,0|2,0,0]=4 88 B10R1.61 CC(N)C1=CC=CC=C1Cl AK133214 [0,0,0,0,2,0|2,0,0]=4 89 B10R1.61 CN(C)C1=C(Br)C=NC=C1 AK113556 [0,0,0,0,2,0|1,1,0]=4 90 B10R1.61 CN(C)C1=C(O)C=CC=C1 AK-49738 [0,0,0,0,2,0|1,0,0]=3 91 B10R1.61 CN(C)C1=CC=CC=C1Br AK-86039 [0,0,0,0,2,0|0,1,0]=3 92 B10R1.61 CN(C)C1=NC=CN=C1Cl AK124994 [0,0,0,0,2,0|2,0,0]=4 93 B10R1.61 C[C@@H](N)C1=CC=CC=C1Cl AK-42131 [0,0,0,0,2,0|2,0,0]=4 94 B10R1.61 C[C@@H](O)C1=CC=CC=C1Cl AK-49059 [0,0,0,0,2,0|2,0,0]=4 95 B10R1.61 C[C@H](O)C1=CC=CC=C1Cl AK-57726 [0,0,0,0,2,0|2,0,0]=4