0 B8R0.6 C#C[C@@H](O)CCCCC 51060 [0,0,0,0,0,0|1,0,3]=4 1 B8R0.6 C#C[C@@H](O)CCCCC T72294 [0,0,0,0,0,0|1,0,3]=4 2 B8R0.6 C=CC(=O)NCCCO C77634 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.6 CC[C@H](C)CCCCO T72651 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.6 CNC(=O)OCCCN AT13711 [0,0,0,0,0,0|3,0,0]=3 5 B8R0.6 COC(=O)NCCCN AT13710 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.1 CNCCCCCO AT11157 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.1 CNCCCCCO AT11158 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.1 COCCNCCO AT12488 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.1 COCCOCCN F50617 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.1 COCCOCCS AT10124 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.1 C\C=C/CCCCC T72919 [1,0,0,0,0,0|1,0,0]=2 12 B7R0.3 CCC(=O)OCOC D72002 [1,0,0,0,0,0|3,0,0]=4 13 B7R0.3 CCCNC(=O)CN C78397 [1,0,0,0,0,0|3,0,0]=4 14 B7R0.3 CNC(=O)NCCO AT23083 [1,0,0,0,0,0|3,0,0]=4 15 B7R0.3 CNC(=O)OCCO AT13707 [1,0,0,0,0,0|3,0,0]=4 16 B7R0.3 CNOCC(=O)OC AT14517 [1,0,0,0,0,0|2,0,0]=3 17 B7R0.3 COC(=N)CCCCl C76486 [1,0,0,0,0,0|2,0,0]=3 18 B7R0.3 COC(=O)CCCN 32601 [1,0,0,0,0,0|1,0,0]=2 19 B7R0.3 COC(=O)NCCN AT13709 [1,0,0,0,0,0|2,0,0]=3 20 B7R0.3 COC(=O)\C=C\CO AT12483 [1,0,0,0,0,0|1,0,2]=4 21 B7R0.4 C#CCNCC(=O)O AT20711 [1,0,0,0,0,0|1,0,2]=4 22 B7R0.4 C#CCOCC(=O)O AT18966 [1,0,0,0,0,0|1,0,2]=4 23 B7R0.4 C#CCSCC(=O)O AT18970 [1,0,0,0,0,0|1,0,2]=4 24 B7R0.4 C=C(C)CC\C=C\C T72820 [1,0,0,0,0,0|1,0,2]=4 25 B7R0.4 C=CCOCC(=O)O D77063 [1,0,0,0,0,0|1,0,2]=4 26 B7R0.4 CC(=O)NCCCN AR2174 [1,0,0,0,0,0|2,0,0]=3 27 B7R0.4 CCCCCC(N)=S W19000 [1,0,0,0,0,0|1,1,0]=3 28 B7R0.4 CCNCCC(N)=O A11725 [1,0,0,0,0,0|2,0,0]=3 29 B7R0.4 CC\C=C/CC(=O)O F18341 [1,0,0,0,0,0|0,0,2]=3 30 B7R0.4 CN(C)CCCCN V10255 [1,0,0,0,0,0|3,0,0]=4 31 B7R0.4 CNCCCC(N)=O AB11605 [1,0,0,0,0,0|2,0,0]=3 32 B7R0.4 CNCCNC(C)=O C77870 [1,0,0,0,0,0|2,0,0]=3 33 B7R0.4 COCCC[N+](=O)[O-] E70181 [1,0,0,0,0,0|2,0,1]=4 34 B7R0.4 COC\C=C\C(=O)O P17072 [1,0,0,0,0,0|1,0,2]=4 35 B7R0.4 C[S@](=O)CCCCN 13216 [1,0,0,0,0,0|2,0,0]=3 36 B7R0.4 NC(=O)CCCCBr AC9465 [1,0,0,0,0,0|2,0,0]=3 37 B7R0.4 NC(=O)CCCCCl AC5718 [1,0,0,0,0,0|2,0,0]=3 38 B7R0.4 NCCCCC(N)=O AC3685 [1,0,0,0,0,0|2,0,0]=3 39 B7R0.4 NCCSCC(=O)O AT25571 [1,0,0,0,0,0|2,0,0]=3 40 B7R0.4 O=C(Cl)COCCCl AT18762 [1,0,0,0,0,0|3,0,0]=4 41 B9R0.1 CC[C@H](C)CCCC(C)C T70540 [0,1,0,0,0,0|2,0,1]=4 42 B9R0.5 C#CCOCC(=O)OCC AT18918 [0,1,0,0,0,0|1,0,2]=4 43 B9R0.5 CCOC(=O)CCCNC AB10379 [0,1,0,0,0,0|1,0,0]=2 44 B9R0.5 CCOC(=O)CNCCN FD21627 [0,1,0,0,0,0|2,0,0]=3 45 B9R0.8 C=CCCC(=O)C(=O)OC D76611 [0,1,0,0,0,0|0,0,3]=4 46 B9R0.8 C=CCC[C@H](N)C(=O)OC AT15758 [0,1,0,0,0,0|0,0,2]=3 47 B9R0.24 COC(=O)CC[S@](=O)OC CS2994 [0,1,0,0,0,0|2,0,0]=3 48 B9R0.24 COC(=O)CNC(=O)OC AC6655 [0,1,0,0,0,0|2,0,1]=4 49 B9R0.34 CCCC(C)CC(C)CC T70352 [0,1,0,0,0,0|2,0,1]=4 50 B9R0.34 CCC[C@H](N)CC(=O)OC N15477 [0,1,0,0,0,0|0,0,0]=1 51 B9R0.46 CCCCCC[C@@H](C)CC T72672 [0,1,0,0,0,0|2,0,1]=4 52 B9R0.46 CCOCCNC(=O)CCl A50975 [0,1,0,0,0,0|3,0,0]=4 53 B9R0.46 CC[C@H](C)CCCCCO T71591 [0,1,0,0,0,0|2,0,1]=4 54 B9R0.46 COC(=O)COCCCO 56926 [0,1,0,0,0,0|1,0,0]=2 55 B9R0.46 COCCCCC(=O)OC AC9127 [0,1,0,0,0,0|0,0,0]=1 56 B9R0.47 CCCCCC(=O)C(=O)O A11260 [0,1,0,0,0,0|2,0,0]=3 57 B9R0.47 CCCCOC(=O)C(O)O F17058 [0,1,0,0,0,0|3,0,0]=4 58 B9R0.47 CCCCOC(=O)[C@H](C)N F52316 [0,1,0,0,0,0|2,0,0]=3 59 B9R0.50 CCN(CCCCO)N=O T72602 [0,1,0,0,0,0|3,0,0]=4 60 B9R1.1 CC[C@H]1CC[C@H](N)CC1 AT14260 [0,0,0,1,0,0|2,0,1]=4 61 B9R1.1 CC[C@H]1CNC(=O)CO1 90060 [0,0,0,1,0,0|2,0,0]=3 62 B9R1.1 CNC1CCC(=O)CC1 AB9600 [0,0,0,1,0,0|2,0,0]=3 63 B9R1.1 NC[C@H]1CNC(=O)CO1 W10862 [0,0,0,1,0,0|3,0,0]=4 64 B9R1.1 O=C1CCC(CBr)CC1 C77512 [0,0,0,1,0,0|2,0,0]=3 65 B9R1.2 COC1=CC(=O)CCC1 63648 [0,0,0,1,0,0|2,0,1]=4 66 B9R1.2 COC1=CCCN(C)C1 AC7481 [0,0,0,1,0,0|2,0,1]=4 67 B9R1.3 CC1CCCC(C)C1C T71900 [0,0,0,1,0,0|2,0,1]=4 68 B9R1.5 CN1CCNCCC1=O AT20060 [0,0,0,1,0,0|2,0,0]=3 69 B9R1.5 C[C@@H]1OCCCNC1=O 73063 [0,0,0,1,0,0|3,0,0]=4 70 B9R1.5 O=C1CCCCC[C@@H]1Br AT20921 [0,0,0,1,0,0|2,0,0]=3 71 B9R1.5 O=C1CCCCC[C@@H]1Cl T71318 [0,0,0,1,0,0|2,0,0]=3 72 B9R1.5 O=C1CCNCC[C@@H]1Br C90706 [0,0,0,1,0,0|3,0,0]=4 73 B9R1.5 O=C1NCCCC[C@@H]1Br F50955 [0,0,0,1,0,0|3,0,0]=4 74 B9R1.7 CNC[C@H]1CCC(=O)N1 AT13580 [0,0,0,1,0,0|3,0,0]=4 75 B9R1.7 O=C1CC[C@H](CCO)N1 AT10892 [0,0,0,1,0,0|3,0,0]=4 76 B9R1.11 C#CC(=O)C1CCCC1 88682 [0,0,0,1,0,0|1,0,1]=3 77 B9R1.11 CCC(=O)C1CCCC1 F53464 [0,0,0,1,0,0|1,0,0]=2 78 B9R1.11 CC[C@H](N)C1CCCC1 N12792 [0,0,0,1,0,0|2,0,1]=4 79 B9R1.11 CC[C@H](N)C1CCCC1 N14676 [0,0,0,1,0,0|2,0,1]=4 80 B9R1.11 CC[C@H](N)C1CCCC1 N14677 [0,0,0,1,0,0|2,0,1]=4 81 B9R1.11 CNC(=O)[C@@H]1CCCN1 C78390 [0,0,0,1,0,0|2,0,0]=3 82 B9R1.11 CNC(=O)[C@@H]1CCCN1 C78509 [0,0,0,1,0,0|2,0,0]=3 83 B9R1.11 CNC(=O)[C@H]1CCNC1 AT18760 [0,0,0,1,0,0|2,0,0]=3 84 B9R1.11 CNC(=O)[C@H]1CCNC1 AT18761 [0,0,0,1,0,0|2,0,0]=3 85 B9R1.11 COC(=O)[C@@H]1C=CCN1 F10707 [0,0,0,1,0,0|1,0,2]=4 86 B9R1.11 COC(=O)[C@@H]1CSCN1 D74074 [0,0,0,1,0,0|2,0,0]=3 87 B9R1.11 COC(=O)[C@H]1CCNC1 C15796 [0,0,0,1,0,0|1,0,0]=2 88 B9R1.11 O=C(CBr)N1CCCC1 T71443 [0,0,0,1,0,0|3,0,0]=4 89 B9R1.79 CNC(=O)C[C@H]1CCN1 F50337 [0,0,0,1,0,0|2,0,0]=3 90 B9R1.79 CNC(=O)OC1CNC1 AT23014 [0,0,0,1,0,0|3,0,0]=4 91 B9R1.79 COC(=O)NC1CNC1 AT23018 [0,0,0,1,0,0|2,0,0]=3 92 B9R1.79 NCC(=O)NC1CCC1 98117 [0,0,0,1,0,0|3,0,0]=4 93 B9R1.81 COC(=O)C1CCC1N P20420 [0,0,0,1,0,0|1,0,0]=2 94 B9R1.81 COC(=O)[C@H]1CC[C@@H]1N AT10518 [0,0,0,1,0,0|1,0,0]=2 95 B9R1.88 C#CC1CC1C(=O)OC 58313 [0,0,0,1,0,0|0,0,2]=3 96 B9R1.88 COC(=O)C1CC1C#N P14710 [0,0,0,1,0,0|1,0,1]=3 97 B9R1.88 COC(=O)C1CC1CO D73969 [0,0,0,1,0,0|1,0,0]=2 98 B9R1.88 COC(=O)[C@H]1C[C@@H]1C=O AT23980 [0,0,0,1,0,0|1,0,1]=3 99 B9R1.118 COC1(C)CCNCC1 F13725 [0,0,0,1,0,0|2,0,1]=4 100 B9R1.132 C=C[C@@H]1CCC(=O)N1C 94190 [0,0,0,1,0,0|1,0,2]=4 101 B9R1.132 C=C[C@@H]1CCC(=O)N1C 94195 [0,0,0,1,0,0|1,0,2]=4 102 B9R1.132 CN1C(=O)CC[C@H]1C#N F13273 [0,0,0,1,0,0|2,0,1]=4 103 B9R1.132 CN1C(=O)CC[C@H]1C=O 94189 [0,0,0,1,0,0|2,0,1]=4 104 B9R1.132 CN1C(=O)CC[C@H]1C=O 94194 [0,0,0,1,0,0|2,0,1]=4 105 B6R0.6 CCNCCSC AT25567 [2,0,0,0,0,0|1,1,0]=4 106 B6R0.6 CCOCCON AT14482 [2,0,0,0,0,0|2,0,0]=4 107 B6R0.6 CNCCCOC F15969 [2,0,0,0,0,0|1,0,0]=3 108 B6R0.6 COCCCC#N C77649 [2,0,0,0,0,0|1,0,1]=4 109 B6R0.6 COCCCCN C77605 [2,0,0,0,0,0|1,0,0]=3 110 B6R0.6 COCCCON AT14486 [2,0,0,0,0,0|2,0,0]=4 111 B6R0.6 C\C=C/CCCCl T71143 [2,0,0,0,0,0|1,0,1]=4 112 B6R0.6 O=CNCCCO AC9004 [2,0,0,0,0,0|2,0,0]=4 113 B6R0.6 [2H]OCCCCC D99155 [2,0,0,0,0,0|1,0,0]=3 114 B6R0.1 CCNC(=O)OC C16084 [2,0,0,0,0,0|1,0,0]=3 115 B6R0.1 COCC(=O)OC F53343 [2,0,0,0,0,0|1,0,0]=3 116 B6R0.4 C=C(C)CCCO 71061 [2,0,0,0,0,0|2,0,0]=4 117 B6R0.4 CC#CCC(=O)O AT21835 [2,0,0,0,0,0|0,0,2]=4 118 B6R0.4 CCNCC(=O)O T72729 [2,0,0,0,0,0|1,0,0]=3 119 B6R0.4 CCONC(C)=O AT24904 [2,0,0,0,0,0|2,0,0]=4 120 B6R0.4 CNCCC(N)=O C78256 [2,0,0,0,0,0|2,0,0]=4 121 B6R0.4 COCOC(C)=O D72003 [2,0,0,0,0,0|2,0,0]=4 122 B6R0.4 NC(=O)CCCO AT20755 [2,0,0,0,0,0|2,0,0]=4 123 B6R0.4 NCCCC(=O)O T70552 [2,0,0,0,0,0|1,0,0]=3 124 B6R0.4 NCCCC(N)=O AC5898 [2,0,0,0,0,0|2,0,0]=4 125 B6R0.4 NOCCC(=O)O AT14539 [2,0,0,0,0,0|2,0,0]=4 126 B8R0.4 CCC#CCCCCC T72039 [1,1,0,0,0,0|1,0,1]=4 127 B8R0.4 CNCCCCCCO AT11159 [1,1,0,0,0,0|1,0,1]=4 128 B8R0.4 COCCNCCCO FD7300 [1,1,0,0,0,0|1,0,1]=4 129 B8R0.3 C#CC[C@H](N)C(=O)OC AT23614 [1,1,0,0,0,0|0,0,2]=4 130 B8R0.3 C#CC[C@H](N)C(=O)OC AT23615 [1,1,0,0,0,0|0,0,2]=4 131 B8R0.3 C#CC[C@H](N)C(=O)OC AT23616 [1,1,0,0,0,0|0,0,2]=4 132 B8R0.3 C=CC[C@H](N)C(=O)OC 50495 [1,1,0,0,0,0|0,0,2]=4 133 B8R0.3 CCC[C@H](N)C(=O)OC F20626 [1,1,0,0,0,0|0,0,0]=2 134 B8R0.3 COC[C@H](O)C(=O)OC AT24811 [1,1,0,0,0,0|1,0,0]=3 135 B8R0.8 CCCCC(=O)[C@H](C)N D78735 [1,1,0,0,0,0|1,0,0]=3 136 B8R0.9 COC(=O)\C=C\C(C)C AC9583 [1,1,0,0,0,0|0,0,2]=4 137 B8R0.19 CC[C@H](N)CC(=O)OC F16995 [1,1,0,0,0,0|0,0,0]=2 138 B8R0.19 CC[C@H](O)CC(=O)OC C15994 [1,1,0,0,0,0|0,0,0]=2 139 B8R0.19 COC(=O)CC(=O)CBr S11869 [1,1,0,0,0,0|1,0,1]=4 140 B8R0.5 C=CC[C@H](N)CC(=O)O 77811 [1,1,0,0,0,0|0,0,2]=4 141 B8R0.5 CCC[C@H](C)OC(C)=O 73904 [1,1,0,0,0,0|1,0,0]=3 142 B8R0.5 CCC[C@H](N)CC(=O)O N15479 [1,1,0,0,0,0|0,0,0]=2 143 B8R0.5 CCC[C@H](N)CC(=O)O N15480 [1,1,0,0,0,0|0,0,0]=2 144 B8R0.21 COCCCS(=O)(=O)O AC6285 [1,1,0,0,0,0|2,0,0]=4 145 B8R0.21 CS(=O)(=O)CCCCN AT13641 [1,1,0,0,0,0|2,0,0]=4 146 B8R0.21 [2H]C([2H])(O)CCCCC D99028 [1,1,0,0,0,0|1,0,1]=4 147 B8R0.28 C=C(C)CCCC(C)C T70747 [1,1,0,0,0,0|1,0,0]=3 148 B8R0.28 CC(=O)CCCC(C)=O AC9369 [1,1,0,0,0,0|0,0,1]=3 149 B8R0.28 CC(=O)CCCN(C)C AC6136 [1,1,0,0,0,0|1,0,0]=3 150 B8R0.28 CC(C)CCOC(=O)Cl AC2336 [1,1,0,0,0,0|2,0,0]=4 151 B8R0.28 CC(C)C\C=C\C(=O)O 81164 [1,1,0,0,0,0|0,0,2]=4 152 B8R0.28 CN(C)CCCC(=O)O A11102 [1,1,0,0,0,0|1,0,0]=3 153 B10R0.44 COC(=O)C[C@H](C)C[N+](=O)[O-] F17556 [0,2,0,0,0,0|2,0,0]=4 154 B10R0.82 COC(=O)CC[C@H](N)C(=O)O 43932 [0,2,0,0,0,0|1,0,1]=4 155 B10R0.82 COC(=O)CNC(=O)[C@H](C)N N12101 [0,2,0,0,0,0|1,0,1]=4 156 B10R0.1 CCOC(=O)CCCCCN 77390 [0,2,0,0,0,0|0,0,0]=2 157 B10R0.1 CCOC(=O)COCCCO S11911 [0,2,0,0,0,0|1,0,0]=3 158 B10R0.2 CCCC(=O)CC(=O)CCC AC4162 [0,2,0,0,0,0|1,0,1]=4 159 B10R0.2 CCC[C@H](N)CC(=O)OCC N12292 [0,2,0,0,0,0|0,0,0]=2 160 B10R0.19 C=CCC[C@H](N)C(=O)OCC AT23898 [0,2,0,0,0,0|0,0,2]=4 161 B10R0.19 C\C=C\C[C@H](C)C(=O)OCC W16076 [0,2,0,0,0,0|0,0,2]=4 162 B10R0.83 COC(=O)[C@@H](N)CCCCN S11847 [0,2,0,0,0,0|0,0,0]=2 163 B10R0.91 C=CCOC(=O)NCCCN F52013 [0,2,0,0,0,0|2,0,0]=4 164 B10R0.35 CCCC(=O)[C@H](C)C(=O)ON W18321 [0,2,0,0,0,0|1,0,1]=4 165 B10R0.46 COC(=O)C[C@H](C)C(=O)OC 65404 [0,2,0,0,0,0|1,0,1]=4 166 B10R0.124 CCC(=O)C(C)(C)CCOC F30717 [0,2,0,0,0,0|2,0,0]=4 167 B10R0.74 COC(=O)CCCCCC=O A51072 [0,2,0,0,0,0|0,0,0]=2 168 B10R0.74 COC(=O)CCCCCCN F19219 [0,2,0,0,0,0|0,0,0]=2 169 B10R0.75 C#CCCCCC(=O)N(C)C F12473 [0,2,0,0,0,0|1,0,1]=4 170 B8R1.2 CC[C@H]1COCCN1 F19074 [1,0,0,1,0,0|1,0,1]=4 171 B8R1.2 CNC1CCCCC1 S12279 [1,0,0,1,0,0|1,0,1]=4 172 B8R1.2 NC[C@@H]1CC=CCC1 C78101 [1,0,0,1,0,0|2,0,0]=4 173 B8R1.8 CCN[C@H]1CCOC1 P12313 [1,0,0,1,0,0|1,0,1]=4 174 B8R1.8 CNCC1CCCC1 A11546 [1,0,0,1,0,0|1,0,1]=4 175 B8R1.8 COC[C@H]1CCCN1 C77885 [1,0,0,1,0,0|1,0,1]=4 176 B8R1.10 CNCCC1CCC1 P12905 [1,0,0,1,0,0|1,0,1]=4 177 B8R1.10 COCC[C@H]1CCN1 F50258 [1,0,0,1,0,0|1,0,1]=4 178 B8R1.10 COCC[C@H]1CCN1 F50334 [1,0,0,1,0,0|1,0,1]=4 179 B8R1.11 CO[C@H]1CCC[C@@H]1N AT13762 [1,0,0,1,0,0|1,0,1]=4 180 B8R1.11 CO[C@H]1CCC[C@@H]1O AT11485 [1,0,0,1,0,0|1,0,1]=4 181 B8R1.11 CO[C@H]1CCC[C@@H]1O AT11487 [1,0,0,1,0,0|1,0,1]=4 182 B8R1.11 CO[C@H]1CCC[C@@H]1O AT11488 [1,0,0,1,0,0|1,0,1]=4 183 B8R1.12 CO[C@H]1CC[C@@H]1CO D79583 [1,0,0,1,0,0|1,0,1]=4 184 B8R1.22 C[C@H]1CCCCCN1 AT22104 [1,0,0,1,0,0|2,0,0]=4 185 B8R1.22 C[C@H]1COCCCN1 AT11435 [1,0,0,1,0,0|1,0,1]=4 186 B8R1.36 CCCCC[C@H]1CO1 T72538 [1,0,0,1,0,0|0,0,1]=3 187 B8R1.1 C=C[C@@H]1COC(=O)C1 88424 [1,0,0,1,0,0|0,0,2]=4 188 B8R1.1 CC[C@@H]1CNC(=O)C1 P10810 [1,0,0,1,0,0|1,0,0]=3 189 B8R1.1 CC[C@H]1CCC(=O)C1 W18649 [1,0,0,1,0,0|1,0,0]=3 190 B8R1.1 CC[C@H]1CCC(=O)N1 D72846 [1,0,0,1,0,0|2,0,0]=4 191 B8R1.1 CC[C@H]1COC(=O)N1 W10319 [1,0,0,1,0,0|1,0,0]=3 192 B8R1.1 CN[C@@H]1COC(=O)C1 P12585 [1,0,0,1,0,0|1,0,0]=3 193 B8R1.1 NC[C@H]1COC(=O)N1 P15383 [1,0,0,1,0,0|2,0,0]=4 194 B8R1.1 O=C1CC[C@H](CO)C1 D97067 [1,0,0,1,0,0|2,0,0]=4 195 B8R1.1 O=C1C[C@H](CBr)CN1 AC8640 [1,0,0,1,0,0|2,0,0]=4 196 B8R1.3 C[C@H]1CNC(=O)CO1 AT13719 [1,0,0,1,0,0|2,0,0]=4 197 B8R1.3 C[C@H]1CNC(=O)CO1 AT13722 [1,0,0,1,0,0|2,0,0]=4 198 B8R1.3 N[C@H]1CCC(=O)NC1 70845 [1,0,0,1,0,0|2,0,0]=4 199 B8R1.3 O=C1CCC(Br)CC1 C77503 [1,0,0,1,0,0|2,0,0]=4 200 B8R1.38 CCC(=O)C1CCC1 F53463 [1,0,0,1,0,0|1,0,0]=3 201 B8R1.38 COC(=O)[C@@H]1CCN1 P19136 [1,0,0,1,0,0|1,0,0]=3 202 B8R1.4 CC1CCOS(=O)O1 A12529 [1,0,0,1,0,0|2,0,0]=4 203 B8R1.4 CN1CCCC(=O)C1 C14007 [1,0,0,1,0,0|1,0,0]=3 204 B8R1.4 C[C@H]1CC(=O)CCN1 W10112 [1,0,0,1,0,0|1,0,0]=3 205 B8R1.4 C[C@H]1CCCC(=O)C1 90784 [1,0,0,1,0,0|0,0,0]=2 206 B8R1.4 C[C@H]1CCCC(=O)N1 90463 [1,0,0,1,0,0|1,0,0]=3 207 B8R1.4 C[C@H]1CCC[C@H](C)N1 P21143 [1,0,0,1,0,0|1,0,1]=4 208 B8R1.4 C[C@H]1CNCC(=O)N1 P13905 [1,0,0,1,0,0|2,0,0]=4 209 B8R1.4 N[C@@H]1COCC(=O)C1 F51972 [1,0,0,1,0,0|2,0,0]=4 210 B8R1.4 O=C1CCC[C@H](O)C1 P16037 [1,0,0,1,0,0|1,0,0]=3 211 B8R1.4 O=C1C[C@@H](F)CCN1 P19310 [1,0,0,1,0,0|2,0,0]=4 212 B8R1.7 CC(=O)C1=NCCC1 H10253 [1,0,0,1,0,0|1,0,1]=4 213 B8R1.7 CC(=O)[C@@H]1CCCN1 F13089 [1,0,0,1,0,0|1,0,0]=3 214 B8R1.7 CC(=O)[C@@H]1CCCO1 74204 [1,0,0,1,0,0|1,0,0]=3 215 B8R1.7 CC(=O)[C@H]1CCNC1 78818 [1,0,0,1,0,0|1,0,0]=3 216 B8R1.7 CC(C)C1CCCC1 T72412 [1,0,0,1,0,0|1,0,1]=4 217 B8R1.7 C[C@H](N)C1CCCC1 79900 [1,0,0,1,0,0|1,0,1]=4 218 B8R1.7 C[C@H](N)C1CCCC1 79901 [1,0,0,1,0,0|1,0,1]=4 219 B8R1.7 N=C(N)C1CCCC1 71790 [1,0,0,1,0,0|2,0,0]=4 220 B8R1.7 NC(=O)[C@H]1CCNC1 P11232 [1,0,0,1,0,0|2,0,0]=4 221 B8R1.7 NC(=S)C1CCCC1 N13298 [1,0,0,1,0,0|1,1,0]=4 222 B8R1.7 O=C(Cl)[C@H]1CCOC1 A12769 [1,0,0,1,0,0|2,0,0]=4 223 B8R1.7 O=C(O)[C@@H]1CCCS1 98590 [1,0,0,1,0,0|1,0,0]=3 224 B8R1.7 O=C(O)[C@@H]1CCCS1 98591 [1,0,0,1,0,0|1,0,0]=3 225 B8R1.7 O=C(O)[C@@H]1CCNO1 AT14856 [1,0,0,1,0,0|2,0,0]=4 226 B8R1.31 C[C@H]1NC[C@@H]1C(=O)O P18148 [1,0,0,1,0,0|1,0,0]=3 227 B8R1.34 CC(=O)C=C1CCC1 F20871 [1,0,0,1,0,0|0,0,2]=4 228 B8R1.34 CC(=O)NC1CNC1 33732 [1,0,0,1,0,0|2,0,0]=4 229 B8R1.34 CC(=O)SC1CNC1 P12390 [1,0,0,1,0,0|2,0,0]=4 230 B8R1.34 C[C@H](N)CC1CCC1 55436 [1,0,0,1,0,0|1,0,1]=4 231 B8R1.34 O=C(Cl)CC1CCC1 AT23645 [1,0,0,1,0,0|1,0,0]=3 232 B8R1.34 O=C(O)CC1CNC1 A50755 [1,0,0,1,0,0|1,0,0]=3 233 B8R1.34 O=C(O)CC1CNC1 P10897 [1,0,0,1,0,0|1,0,0]=3 234 B8R1.35 O=C(Cl)OCC1CC1 C77515 [1,0,0,1,0,0|2,0,0]=4 235 B8R1.43 CCC1CC1C(=O)O AT12378 [1,0,0,1,0,0|0,0,0]=2 236 B8R1.72 CC1(N)CCCCC1 W10115 [1,0,0,1,0,0|1,0,1]=4 237 B8R1.72 N=S1(=O)CCCCC1 AT11345 [1,0,0,1,0,0|2,0,0]=4 238 B10R1.13 CC(=O)C1CCC(=O)CC1 F53160 [0,1,0,1,0,0|1,0,1]=4 239 B10R1.13 CC(C)[C@H]1C=CC(=O)CC1 AT12689 [0,1,0,1,0,0|1,0,1]=4 240 B10R1.14 C=C1CN[C@H](C(=O)OC)C1 D80706 [0,1,0,1,0,0|1,0,1]=4 241 B10R1.14 COC(=O)C1C=CC(N)C1 AT12408 [0,1,0,1,0,0|0,0,2]=4 242 B10R1.14 COC(=O)C1C=CC(N)C1 AT26068 [0,1,0,1,0,0|0,0,2]=4 243 B10R1.14 COC(=O)C1CCC(N)C1 F31402 [0,1,0,1,0,0|0,0,0]=2 244 B10R1.14 COC(=O)N1CC[C@H](O)C1 AT22495 [0,1,0,1,0,0|1,0,0]=3 245 B10R1.14 COC(=O)[C@@H]1C[C@H](N)CO1 F50103 [0,1,0,1,0,0|1,0,0]=3 246 B10R1.14 COC(=O)[C@H]1C=C[C@@H](N)C1 I11714 [0,1,0,1,0,0|0,0,2]=4 247 B10R1.14 COC(=O)[C@H]1C=C[C@@H](N)C1 I11808 [0,1,0,1,0,0|0,0,2]=4 248 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 P17296 [0,1,0,1,0,0|0,0,0]=2 249 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 S10609 [0,1,0,1,0,0|0,0,0]=2 250 B10R1.150 CCC(=O)NC1CC(N)C1 72861 [0,1,0,1,0,0|2,0,0]=4 251 B10R1.408 COC(=O)[C@H]1C[C@@H]1C(=O)O P19172 [0,1,0,1,0,0|1,0,1]=4 252 B10R1.10 CCC[C@H]1CC(=O)CCN1 C75784 [0,1,0,1,0,0|1,0,0]=3 253 B10R1.11 CCOC(=O)[C@@H]1CCCS1 98589 [0,1,0,1,0,0|1,0,0]=3 254 B10R1.11 CCOC(=O)[C@H]1CCNC1 AC7559 [0,1,0,1,0,0|1,0,0]=3 255 B10R1.11 CCOC(=O)[C@H]1CCSC1 W10963 [0,1,0,1,0,0|1,0,0]=3 256 B10R1.11 NCCC(=O)N1CCCC1 C78391 [0,1,0,1,0,0|2,0,0]=4 257 B10R1.11 O=C(CCCl)N1CCCC1 C78373 [0,1,0,1,0,0|2,0,0]=4 258 B10R1.19 CCN1CCCNCC1=O AT20058 [0,1,0,1,0,0|2,0,0]=4 259 B10R1.19 N#C[C@H]1CCCCCC1=O AC9253 [0,1,0,1,0,0|1,0,1]=4 260 B10R1.29 CCCC[C@H]1CCCC1=O O10708 [0,1,0,1,0,0|1,0,0]=3 261 B10R1.29 CNCCN1CCOC1=O AT18746 [0,1,0,1,0,0|2,0,0]=4 262 B10R1.29 COCC[C@H]1CCNC1=O AT19072 [0,1,0,1,0,0|2,0,0]=4 263 B10R1.29 NCCCN1CCOC1=O AT18744 [0,1,0,1,0,0|2,0,0]=4 264 B10R1.29 O=C1OCCN1CCCO AT18745 [0,1,0,1,0,0|2,0,0]=4 265 B10R1.130 CCC[C@@H]1NC(=O)OC1=O AC4663 [0,1,0,1,0,0|1,0,1]=4 266 B10R1.130 CCC[C@@H]1NC(=O)OC1=O AC5828 [0,1,0,1,0,0|1,0,1]=4 267 B10R1.130 CCC[C@@H]1NC(=O)OC1=O AC7021 [0,1,0,1,0,0|1,0,1]=4 268 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1CO AT10667 [0,1,0,1,0,0|1,0,0]=3 269 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1CO AT11298 [0,1,0,1,0,0|1,0,0]=3 270 B10R1.138 CNCC(=O)NCC1CC1 70891 [0,1,0,1,0,0|2,0,0]=4 271 B10R1.15 CNC(=O)N1CCNCC1 AT22986 [0,1,0,1,0,0|2,0,0]=4 272 B10R1.15 CNC(=O)[C@@H]1CCCCN1 C77819 [0,1,0,1,0,0|1,0,0]=3 273 B10R1.15 CNC(=O)[C@@H]1CCCCN1 C78037 [0,1,0,1,0,0|1,0,0]=3 274 B10R1.15 CNC(=O)[C@@H]1CCCCN1 C78113 [0,1,0,1,0,0|1,0,0]=3 275 B10R1.15 CNC(=O)[C@H]1CCCNC1 AC6269 [0,1,0,1,0,0|1,0,0]=3 276 B10R1.15 COC(=O)C1=CCCCO1 S11698 [0,1,0,1,0,0|0,0,2]=4 277 B10R1.15 COC(=O)[C@@H]1CNCCN1 64289 [0,1,0,1,0,0|1,0,0]=3 278 B10R1.15 COC(=O)[C@@H]1CNCCN1 F16118 [0,1,0,1,0,0|1,0,0]=3 279 B10R1.15 COC(=O)[C@@H]1CNCCO1 F19021 [0,1,0,1,0,0|1,0,0]=3 280 B10R1.15 COC(=O)[C@@H]1CNCCO1 F19022 [0,1,0,1,0,0|1,0,0]=3 281 B10R1.15 COC(=O)[C@@H]1COCCN1 D76308 [0,1,0,1,0,0|1,0,0]=3 282 B10R1.15 NCC(=O)C1CCCCC1 P14033 [0,1,0,1,0,0|2,0,0]=4 283 B10R1.169 COC(=O)C1CC(CBr)C1 C16646 [0,1,0,1,0,0|1,0,0]=3 284 B10R1.182 COC(=O)C(N)C1COC1 38613 [0,1,0,1,0,0|1,0,0]=3 285 B10R1.182 COC(=O)[C@@H](N)C1COC1 F53708 [0,1,0,1,0,0|1,0,0]=3 286 B10R1.411 COC(=O)C1(C)CCCC1 57441 [0,1,0,1,0,0|0,0,0]=2 287 B10R1.411 COC(=O)[C@@]1(C)CCNC1 F13593 [0,1,0,1,0,0|1,0,0]=3 288 B10R1.411 COC(=O)[C@@]1(C)CCOC1 P13849 [0,1,0,1,0,0|1,0,0]=3 289 B10R1.411 COC(=O)[C@]1(C)CCCN1 F11555 [0,1,0,1,0,0|1,0,0]=3 290 B10R1.411 COC(=O)[C@]1(C)CCCN1 F20252 [0,1,0,1,0,0|1,0,0]=3 291 B10R1.411 COC(=O)[C@]1(O)CCNC1 P14870 [0,1,0,1,0,0|1,0,0]=3 292 B10R1.3 CCC1CCC(C=O)CC1 79556 [0,1,0,1,0,0|1,0,1]=4 293 B10R1.151 COC(=O)\C=C\C1CCC1 W11680 [0,1,0,1,0,0|0,0,1]=3 294 B10R1.157 COC(=O)CC1CC1CN D79180 [0,1,0,1,0,0|0,0,0]=2 295 B10R1.27 COC(=O)C[C@H]1CCCN1 D78493 [0,1,0,1,0,0|0,0,0]=2 296 B10R1.27 COC(=O)C[C@H]1CCCO1 F52226 [0,1,0,1,0,0|0,0,0]=2 297 B10R1.27 COC(=O)C[C@H]1CCOC1 D76458 [0,1,0,1,0,0|0,0,0]=2 298 B10R1.131 CN1C[C@@H](CCN)CC1=O AT19063 [0,1,0,1,0,0|2,0,0]=4 299 B10R1.149 CCC(=O)C1NCCC1O S10053 [0,1,0,1,0,0|2,0,0]=4 300 B10R1.149 COC(=O)C1NCCC1O F51597 [0,1,0,1,0,0|1,0,0]=3 301 B10R1.149 COC(=O)[C@@H]1CCCN1C C74446 [0,1,0,1,0,0|0,0,0]=2 302 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1N 98154 [0,1,0,1,0,0|0,0,0]=2 303 B10R1.149 COC(=O)[C@H]1COC[C@@H]1N D79669 [0,1,0,1,0,0|1,0,0]=3 304 B10R1.149 COC(=O)[C@H]1NCC[C@H]1O P11675 [0,1,0,1,0,0|1,0,0]=3 305 B10R1.429 COC(=O)CC1(N)CCC1 F51919 [0,1,0,1,0,0|0,0,0]=2 306 B10R1.1 NCCN1CCC(=O)CC1 D88106 [0,1,0,1,0,0|2,0,0]=4 307 B10R1.2 CN1C(=O)CCC[C@@H]1CO P13154 [0,1,0,1,0,0|1,0,0]=3 308 B10R1.161 O=NN1CCCCCCC1 T72064 [0,1,0,1,0,0|2,0,0]=4 309 B10R1.175 C#CC1CCC1C(=O)OC 58314 [0,1,0,1,0,0|0,0,1]=3 310 B10R1.23 CN(C)C(=O)[C@@H]1CCCN1 C77821 [0,1,0,1,0,0|2,0,0]=4 311 B10R1.23 CN(C)C(=O)[C@H]1CCNC1 C77803 [0,1,0,1,0,0|2,0,0]=4 312 B10R1.23 CN(C)C(=O)[C@H]1CCNC1 D80601 [0,1,0,1,0,0|2,0,0]=4 313 B10R1.114 CC1(C)C(=O)CCC[C@@H]1O D90971 [0,1,0,1,0,0|2,0,0]=4 314 B10R1.204 CN(C)C(=O)C[C@H]1CCN1 F50260 [0,1,0,1,0,0|2,0,0]=4 315 B10R1.262 CCO[C@H]1CC(=O)C1(C)C P12404 [0,1,0,1,0,0|2,0,0]=4 316 B10R2.178 O=C1CCC2CCC1C2 AT22812 [0,0,0,2,0,0|1,0,0]=3 317 B10R2.63 CN1CC2CC(=O)C1C2 F13927 [0,0,0,2,0,0|2,0,0]=4 318 B10R2.2 O=C1CC2CCOC2O1 D74390 [0,0,0,2,0,0|1,0,0]=3 319 B10R2.14 O=C1CC[C@H](C2CC2)C1 33465 [0,0,0,2,0,0|1,0,0]=3 320 B10R2.32 O=C1CCN2CCC[C@@H]12 F14126 [0,0,0,2,0,0|2,0,0]=4 321 B10R2.332 O=C1CC2(CNC2)CN1 AT19155 [0,0,0,2,0,0|2,0,0]=4 322 B10R2.332 O=C1CCC2(CNC2)C1 AT10219 [0,0,0,2,0,0|2,0,0]=4 323 B10R2.3 O=C1CCC12CCCC2 84855 [0,0,0,2,0,0|1,0,0]=3 324 B10R2.320 O=C1NC2CCCCC12 F18199 [0,0,0,2,0,0|1,0,0]=3