0 B8R0.6 C#C[C@@H](O)CCCCC 51060 [0,0,0,0,0,0|0,0,4]=4 1 B8R0.6 C#C[C@@H](O)CCCCC T72294 [0,0,0,0,0,0|0,0,4]=4 2 B8R0.6 C=CC(=O)NCCCO C77634 [0,0,0,0,0,0|2,0,0]=2 3 B8R0.6 CNC(=O)OCCCN AT13711 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.6 COC(=O)NCCCN AT13710 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.1 C=CCCCCCCl I11994 [1,0,0,0,0,0|1,0,1]=3 6 B7R0.1 C=CCCCCCO F14745 [1,0,0,0,0,0|1,0,1]=3 7 B7R0.1 C=CC\C=C\CCC T72633 [1,0,0,0,0,0|0,0,3]=4 8 B7R0.1 C\C=C/CCCCC T72919 [1,0,0,0,0,0|0,0,1]=2 9 B7R0.1 O=CCCCCCCl 24359 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.3 CCCNC(=O)CN C78397 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.3 COC(=O)CCCN 32601 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.4 C=C(C)CC\C=C\C T72820 [1,0,0,0,0,0|1,0,2]=4 13 B7R0.4 CC(=O)NCCCN AR2174 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.4 CCCCCC(N)=S W19000 [1,0,0,0,0,0|1,1,0]=3 15 B7R0.4 CCNCCC(N)=O A11725 [1,0,0,0,0,0|2,0,0]=3 16 B7R0.4 CC\C=C/CC(=O)O F18341 [1,0,0,0,0,0|1,0,2]=4 17 B7R0.4 CNCCCC(N)=O AB11605 [1,0,0,0,0,0|2,0,0]=3 18 B7R0.4 CNCCNC(C)=O C77870 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.4 COCCC[N+](=O)[O-] E70181 [1,0,0,0,0,0|3,0,0]=4 20 B7R0.4 C[S@](=O)CCCCN 13216 [1,0,0,0,0,0|2,0,1]=4 21 B7R0.4 NC(=O)CCCCBr AC9465 [1,0,0,0,0,0|2,0,0]=3 22 B7R0.4 NC(=O)CCCCCl AC5718 [1,0,0,0,0,0|2,0,0]=3 23 B7R0.4 NCCCCC(N)=O AC3685 [1,0,0,0,0,0|2,0,0]=3 24 B7R0.4 NCCSCC(=O)O AT25571 [1,0,0,0,0,0|3,0,0]=4 25 B7R0.4 O=C(Cl)COCCCl AT18762 [1,0,0,0,0,0|3,0,0]=4 26 B9R0.5 CCOC(=O)CCCNC AB10379 [0,1,0,0,0,0|1,0,2]=4 27 B9R0.34 CCC[C@H](N)CC(=O)OC N15477 [0,1,0,0,0,0|1,0,1]=3 28 B9R0.46 CCOCCNC(=O)CCl A50975 [0,1,0,0,0,0|2,0,1]=4 29 B9R0.46 COC(=O)COCCCO 56926 [0,1,0,0,0,0|2,0,1]=4 30 B9R0.46 COCCCCC(=O)OC AC9127 [0,1,0,0,0,0|1,0,1]=3 31 B9R0.47 CCCCCC(=O)C(=O)O A11260 [0,1,0,0,0,0|1,0,0]=2 32 B9R0.47 CCCCOC(=O)C(O)O F17058 [0,1,0,0,0,0|2,0,1]=4 33 B9R0.47 CCCCOC(=O)[C@H](C)N F52316 [0,1,0,0,0,0|1,0,2]=4 34 B9R1.1 CC[C@H]1CNC(=O)CO1 90060 [0,0,0,1,0,0|2,0,1]=4 35 B9R1.1 CNC1CCC(=O)CC1 AB9600 [0,0,0,1,0,0|1,0,2]=4 36 B9R1.1 O=C1CCC(CBr)CC1 C77512 [0,0,0,1,0,0|1,0,2]=4 37 B9R1.3 O=C1CCCC(O)=C1F P17611 [0,0,0,1,0,0|2,0,1]=4 38 B9R1.5 CN1CCNCCC1=O AT20060 [0,0,0,1,0,0|2,0,1]=4 39 B9R1.5 O=C1CCCCC[C@@H]1Br AT20921 [0,0,0,1,0,0|1,0,1]=3 40 B9R1.5 O=C1CCCCC[C@@H]1Cl T71318 [0,0,0,1,0,0|1,0,1]=3 41 B9R1.5 O=C1CCNCC[C@@H]1Br C90706 [0,0,0,1,0,0|2,0,1]=4 42 B9R1.5 O=C1NCCCC[C@@H]1Br F50955 [0,0,0,1,0,0|2,0,1]=4 43 B9R1.7 CCCN1C=CC(O)=N1 AC6302 [0,0,0,1,0,0|2,0,1]=4 44 B9R1.11 C#CC(=O)C1CCCC1 88682 [0,0,0,1,0,0|0,0,2]=3 45 B9R1.11 C=C[C@@H](O)C1CCCC1 F52271 [0,0,0,1,0,0|0,0,2]=3 46 B9R1.11 CCC(=O)C1CCCC1 F53464 [0,0,0,1,0,0|0,0,2]=3 47 B9R1.11 CNC(=O)[C@@H]1CCCN1 C78390 [0,0,0,1,0,0|2,0,1]=4 48 B9R1.11 CNC(=O)[C@@H]1CCCN1 C78509 [0,0,0,1,0,0|2,0,1]=4 49 B9R1.11 CNC(=O)[C@H]1CCNC1 AT18760 [0,0,0,1,0,0|2,0,1]=4 50 B9R1.11 CNC(=O)[C@H]1CCNC1 AT18761 [0,0,0,1,0,0|2,0,1]=4 51 B9R1.11 COC(=O)[C@H]1CCNC1 C15796 [0,0,0,1,0,0|2,0,1]=4 52 B9R1.11 O=C(CBr)N1CCCC1 T71443 [0,0,0,1,0,0|2,0,1]=4 53 B9R1.79 CNC(=O)C[C@H]1CCN1 F50337 [0,0,0,1,0,0|2,0,1]=4 54 B9R1.79 NCC(=O)NC1CCC1 98117 [0,0,0,1,0,0|2,0,1]=4 55 B9R1.81 COC(=O)C1CCC1N P20420 [0,0,0,1,0,0|2,0,1]=4 56 B9R1.81 COC(=O)[C@H]1CC[C@@H]1N AT10518 [0,0,0,1,0,0|2,0,1]=4 57 B9R1.88 COC(=O)C1CC1CO D73969 [0,0,0,1,0,0|2,0,1]=4 58 B9R1.89 O=CC1CCCCCC1 AT13628 [0,0,0,1,0,0|2,0,1]=4 59 B6R0.6 C=CCCCC=C T72268 [2,0,0,0,0,0|0,0,2]=4 60 B6R0.6 C=CCSCCN AT25545 [2,0,0,0,0,0|2,0,0]=4 61 B6R0.6 C\C=C/CCCCl T71143 [2,0,0,0,0,0|1,0,1]=4 62 B6R0.6 O=CNCCCO AC9004 [2,0,0,0,0,0|2,0,0]=4 63 B6R0.6 [2H]OCCCCC D99155 [2,0,0,0,0,0|2,0,0]=4 64 B6R0.1 C=C[C@@H](C)CCC T72328 [2,0,0,0,0,0|1,0,1]=4 65 B6R0.4 C=C(C)CCCO 71061 [2,0,0,0,0,0|2,0,0]=4 66 B6R0.4 CCNCC(=O)O T72729 [2,0,0,0,0,0|2,0,0]=4 67 B6R0.4 CNCCC(N)=O C78256 [2,0,0,0,0,0|2,0,0]=4 68 B6R0.4 NC(=O)CCCO AT20755 [2,0,0,0,0,0|2,0,0]=4 69 B6R0.4 NCCCC(=O)O T70552 [2,0,0,0,0,0|2,0,0]=4 70 B6R0.4 NCCCC(N)=O AC5898 [2,0,0,0,0,0|2,0,0]=4 71 B8R0.4 C=CCCNCCOC E72576 [1,1,0,0,0,0|1,0,1]=4 72 B8R0.3 CCC[C@H](N)C(=O)OC F20626 [1,1,0,0,0,0|1,0,1]=4 73 B8R0.8 C=C(C)C(=O)OCCBr T70933 [1,1,0,0,0,0|2,0,0]=4 74 B8R0.8 CCCCC(=O)[C@H](C)N D78735 [1,1,0,0,0,0|0,0,2]=4 75 B8R0.9 C=CC(=O)NC[C@H](C)O AC9846 [1,1,0,0,0,0|1,0,0]=3 76 B8R0.19 CC[C@H](N)CC(=O)OC F16995 [1,1,0,0,0,0|1,0,1]=4 77 B8R0.19 CC[C@H](O)CC(=O)OC C15994 [1,1,0,0,0,0|1,0,1]=4 78 B8R0.5 CCC[C@H](C)OC(C)=O 73904 [1,1,0,0,0,0|1,0,1]=4 79 B8R0.5 CCC[C@H](N)CC(=O)O N15479 [1,1,0,0,0,0|1,0,0]=3 80 B8R0.5 CCC[C@H](N)CC(=O)O N15480 [1,1,0,0,0,0|1,0,0]=3 81 B8R0.28 C=C(C)CCCC(C)C T70747 [1,1,0,0,0,0|1,0,0]=3 82 B8R0.28 CC(=O)CCCC(C)=O AC9369 [1,1,0,0,0,0|0,0,2]=4 83 B8R0.28 CC(=O)CCCN(C)C AC6136 [1,1,0,0,0,0|1,0,1]=4 84 B8R0.28 CC(C)CCOC(=O)Cl AC2336 [1,1,0,0,0,0|2,0,0]=4 85 B8R0.28 CN(C)CCCC(=O)O A11102 [1,1,0,0,0,0|2,0,0]=4 86 B10R0.1 CCOC(=O)CCCCCN 77390 [0,2,0,0,0,0|0,0,2]=4 87 B10R0.2 CCC[C@H](N)CC(=O)OCC N12292 [0,2,0,0,0,0|0,0,2]=4 88 B10R0.83 COC(=O)[C@@H](N)CCCCN S11847 [0,2,0,0,0,0|1,0,1]=4 89 B10R0.91 C=CCOC(=O)NCCCN F52013 [0,2,0,0,0,0|2,0,0]=4 90 B10R0.91 CCCCC[C@H](O)\C=C\C=O AC8369 [0,2,0,0,0,0|0,0,2]=4 91 B10R0.74 C#CCOCCOC(=O)C=C D84687 [0,2,0,0,0,0|0,0,2]=4 92 B10R0.74 COC(=O)CCCCCC=O A51072 [0,2,0,0,0,0|1,0,1]=4 93 B10R0.74 COC(=O)CCCCCCN F19219 [0,2,0,0,0,0|1,0,1]=4 94 B8R1.2 CO[C@@H]1C=CCCC1 D91600 [1,0,0,1,0,0|1,0,1]=4 95 B8R1.2 NC[C@@H]1CC=CCC1 C78101 [1,0,0,1,0,0|1,0,1]=4 96 B8R1.2 NC[C@H]1CCC=CO1 P10036 [1,0,0,1,0,0|2,0,0]=4 97 B8R1.8 C=CC[C@H]1CCCN1 N15483 [1,0,0,1,0,0|1,0,1]=4 98 B8R1.11 CC[C@H]1CCNC1=O AT18851 [1,0,0,1,0,0|2,0,0]=4 99 B8R1.1 CC[C@@H]1CNC(=O)C1 P10810 [1,0,0,1,0,0|1,0,1]=4 100 B8R1.1 CC[C@H]1CCC(=O)C1 W18649 [1,0,0,1,0,0|0,0,2]=4 101 B8R1.1 O=C1C=C[C@H](CO)O1 A51108 [1,0,0,1,0,0|2,0,0]=4 102 B8R1.38 CCC(=O)C1CCC1 F53463 [1,0,0,1,0,0|0,0,2]=4 103 B8R1.4 CN1CCCC(=O)C1 C14007 [1,0,0,1,0,0|1,0,1]=4 104 B8R1.4 C[C@H]1CC(=O)CCN1 W10112 [1,0,0,1,0,0|1,0,1]=4 105 B8R1.4 C[C@H]1CCCC(=O)C1 90784 [1,0,0,1,0,0|0,0,1]=3 106 B8R1.4 C[C@H]1CCCC(=O)N1 90463 [1,0,0,1,0,0|1,0,0]=3 107 B8R1.4 C[C@H]1CNCC(=O)N1 P13905 [1,0,0,1,0,0|2,0,0]=4 108 B8R1.4 O=C1C=C(Cl)CCC1 D86029 [1,0,0,1,0,0|1,0,1]=4 109 B8R1.4 O=C1CCC[C@H](O)C1 P16037 [1,0,0,1,0,0|1,0,1]=4 110 B8R1.7 CC(=O)[C@@H]1CCCN1 F13089 [1,0,0,1,0,0|1,0,1]=4 111 B8R1.7 CC(=O)[C@@H]1CCCO1 74204 [1,0,0,1,0,0|1,0,1]=4 112 B8R1.7 CC(=O)[C@H]1CCNC1 78818 [1,0,0,1,0,0|1,0,1]=4 113 B8R1.7 N=C(N)C1CCCC1 71790 [1,0,0,1,0,0|2,0,0]=4 114 B8R1.7 NC(=O)[C@H]1CCNC1 P11232 [1,0,0,1,0,0|2,0,0]=4 115 B8R1.7 NC(=S)C1CCCC1 N13298 [1,0,0,1,0,0|1,1,0]=4 116 B8R1.7 O=C(Cl)[C@H]1CCOC1 A12769 [1,0,0,1,0,0|2,0,0]=4 117 B8R1.7 O=C(O)[C@@H]1CCCS1 98590 [1,0,0,1,0,0|2,0,0]=4 118 B8R1.7 O=C(O)[C@@H]1CCCS1 98591 [1,0,0,1,0,0|2,0,0]=4 119 B8R1.31 C[C@H]1NC[C@@H]1C(=O)O P18148 [1,0,0,1,0,0|2,0,0]=4 120 B8R1.34 O=C(Cl)CC1CCC1 AT23645 [1,0,0,1,0,0|1,0,0]=3 121 B8R1.34 O=C(O)CC1CNC1 A50755 [1,0,0,1,0,0|2,0,0]=4 122 B8R1.34 O=C(O)CC1CNC1 P10897 [1,0,0,1,0,0|2,0,0]=4 123 B8R1.35 O=C(Cl)OCC1CC1 C77515 [1,0,0,1,0,0|2,0,0]=4 124 B8R1.43 CCC1CC1C(=O)O AT12378 [1,0,0,1,0,0|1,0,0]=3 125 B8R1.72 N=S1(=O)CCCCC1 AT11345 [1,0,0,1,0,0|2,0,0]=4 126 B10R1.13 CC(C)[C@H]1C=CC(=O)CC1 AT12689 [0,1,0,1,0,0|0,0,0]=2 127 B10R1.14 COC(=O)C1CCC(N)C1 F31402 [0,1,0,1,0,0|1,0,1]=4 128 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 P17296 [0,1,0,1,0,0|1,0,1]=4 129 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 S10609 [0,1,0,1,0,0|1,0,1]=4 130 B10R1.10 CCC[C@H]1CC(=O)CCN1 C75784 [0,1,0,1,0,0|0,0,2]=4 131 B10R1.19 N#CC1=C(Cl)CCCCC1 57554 [0,1,0,1,0,0|1,0,1]=4 132 B10R1.19 N#C[C@H]1CCCCCC1=O AC9253 [0,1,0,1,0,0|0,0,2]=4 133 B10R1.21 CCCCCN1C=CN=C1 AC5153 [0,1,0,1,0,0|2,0,0]=4 134 B10R1.29 CCCC[C@H]1CCCC1=O O10708 [0,1,0,1,0,0|0,0,2]=4 135 B10R1.96 CCCN1C=CC(C=O)=N1 AT14222 [0,1,0,1,0,0|2,0,0]=4 136 B10R1.130 CCC[C@@H]1NC(=O)OC1=O AC4663 [0,1,0,1,0,0|2,0,0]=4 137 B10R1.130 CCC[C@@H]1NC(=O)OC1=O AC5828 [0,1,0,1,0,0|2,0,0]=4 138 B10R1.130 CCC[C@@H]1NC(=O)OC1=O AC7021 [0,1,0,1,0,0|2,0,0]=4 139 B10R1.15 CNC(=O)[C@@H]1CCCCN1 C77819 [0,1,0,1,0,0|1,0,1]=4 140 B10R1.15 CNC(=O)[C@@H]1CCCCN1 C78037 [0,1,0,1,0,0|1,0,1]=4 141 B10R1.15 CNC(=O)[C@@H]1CCCCN1 C78113 [0,1,0,1,0,0|1,0,1]=4 142 B10R1.15 CNC(=O)[C@H]1CCCNC1 AC6269 [0,1,0,1,0,0|1,0,1]=4 143 B10R1.15 NCC(=O)C1CCCCC1 P14033 [0,1,0,1,0,0|1,0,1]=4 144 B10R1.94 CCOC1=C(Br)C(=O)CC1 AC9169 [0,1,0,1,0,0|1,0,1]=4 145 B10R1.411 COC(=O)C1(C)CCCC1 57441 [0,1,0,1,0,0|1,0,1]=4 146 B10R1.157 COC(=O)CC1CC1CN D79180 [0,1,0,1,0,0|1,0,1]=4 147 B10R1.27 COC(=O)C[C@H]1CCCN1 D78493 [0,1,0,1,0,0|1,0,1]=4 148 B10R1.27 COC(=O)C[C@H]1CCCO1 F52226 [0,1,0,1,0,0|1,0,1]=4 149 B10R1.27 COC(=O)C[C@H]1CCOC1 D76458 [0,1,0,1,0,0|1,0,1]=4 150 B10R1.149 COC(=O)[C@@H]1CCCN1C C74446 [0,1,0,1,0,0|1,0,1]=4 151 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1N 98154 [0,1,0,1,0,0|1,0,1]=4 152 B10R1.429 COC(=O)CC1(N)CCC1 F51919 [0,1,0,1,0,0|1,0,1]=4 153 B10R1.2 CN1C(=O)CCC[C@@H]1CO P13154 [0,1,0,1,0,0|1,0,1]=4 154 B10R2.178 O=C1C=C[C@@H]2CO[C@H]1O2 T72379 [0,0,0,2,0,0|2,0,0]=4 155 B10R2.178 O=C1CCC2CCC1C2 AT22812 [0,0,0,2,0,0|0,0,2]=4 156 B10R2.14 O=C1CC[C@H](C2CC2)C1 33465 [0,0,0,2,0,0|0,0,2]=4 157 B10R2.3 O=C1CCC12CCCC2 84855 [0,0,0,2,0,0|0,0,2]=4 158 B10R2.320 O=C1NC2CCCCC12 F18199 [0,0,0,2,0,0|1,0,1]=4