0 B9R1.6 CC(=O)C1CCCCC1 I-9265 [0,0,0,0,0,0|1,0,0]=1 1 B9R1.6 CC(=O)C1CCCCN1 O30407 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.6 CC(=O)C1CCCCN1 O30418 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.6 CC(=O)C1CCCNC1 P35296 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.6 CC(=O)C1CCCOC1 Q57702 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.6 CC(=O)C1CCOCC1 I-9300 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.6 CC(=O)C1CCSCC1 Q57990 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.6 CC(C)C1CCNCC1 P43343 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.6 CC(N)C1CCCCC1 M23210 [0,0,0,0,0,0|2,0,1]=3 9 B9R1.6 CC(N)C1CCCCO1 Q57678 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.6 CC(N)C1CCCOC1 Q57833 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.6 CC(N)C1CCCOC1 Q57834 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.6 CC(N)C1CCOCC1 Q66046 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.6 CC(O)C1CCCCC1 P42370 [0,0,0,0,0,0|1,0,1]=2 14 B9R1.6 CN(C)C1CCCNC1 10066 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.6 CN(C)C1CCCNC1 O28829 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.6 CN(C)[C@H]1CCCNC1 Q53267 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.6 C[C@@H](N)C1CCCCO1 Q57872 [0,0,0,0,0,0|3,0,1]=4 18 B9R1.6 C[C@@H](N)C1CCCCO1 Q57873 [0,0,0,0,0,0|3,0,1]=4 19 B9R1.6 C[C@@H](N)C1CCOCC1 Q63002 [0,0,0,0,0,0|3,0,1]=4 20 B9R1.6 C[C@@H](N)C1CCOCC1 Q63003 [0,0,0,0,0,0|3,0,1]=4 21 B9R1.6 C[C@@H](O)C1CCOCC1 Q54596 [0,0,0,0,0,0|2,0,1]=3 22 B9R1.6 C[C@H](N)C1CCCOC1 Q57835 [0,0,0,0,0,0|3,0,1]=4 23 B9R1.6 C[C@H](N)C1CCOCC1 Q63000 [0,0,0,0,0,0|3,0,1]=4 24 B9R1.6 C[C@H](N)C1CCOCC1 Q63001 [0,0,0,0,0,0|3,0,1]=4 25 B9R1.6 C[C@H](O)C1CCOCC1 Q54595 [0,0,0,0,0,0|2,0,1]=3 26 B9R1.6 FC(F)C1CCCCN1 Q57442 [0,0,0,0,0,0|3,0,1]=4 27 B9R1.6 FC(F)C1CCCNC1 M23915 [0,0,0,0,0,0|3,0,1]=4 28 B9R1.6 FC(F)C1CCNCC1 G-6163 [0,0,0,0,0,0|3,0,1]=4 29 B9R1.6 FC(F)[C@@H]1CCCNC1 Q65003 [0,0,0,0,0,0|3,0,1]=4 30 B9R1.6 FC(F)[C@H]1CCCNC1 Q65001 [0,0,0,0,0,0|3,0,1]=4 31 B9R1.6 N=C(N)C1CCOCC1 G-5995 [0,0,0,0,0,0|3,0,0]=3 32 B9R1.6 NC(=O)C1CCCCS1 Q57965 [0,0,0,0,0,0|2,0,0]=2 33 B9R1.6 NC(=O)C1CCNCC1 I-9159 [0,0,0,0,0,0|2,0,0]=2 34 B9R1.6 NC(=O)[C@@H]1CCCNC1 G-5263 [0,0,0,0,0,0|2,0,0]=2 35 B9R1.6 NC(=O)[C@@H]1CCCNC1 P44161 [0,0,0,0,0,0|2,0,0]=2 36 B9R1.6 NC(=O)[C@H]1CC=CCC1 P46148 [0,0,0,0,0,0|1,0,2]=3 37 B9R1.6 NC(=O)[C@H]1CCCNC1 G-5264 [0,0,0,0,0,0|2,0,0]=2 38 B9R1.6 NC(=O)[C@H]1CCCNC1 P35476 [0,0,0,0,0,0|2,0,0]=2 39 B9R1.6 NC(=S)C1CCCOC1 Q57656 [0,0,0,0,0,0|2,1,0]=3 40 B9R1.6 O=C(Cl)C1CCOCC1 O30883 [0,0,0,0,0,0|2,0,0]=2 41 B9R1.6 O=C(O)C1CCCCS1 Q57885 [0,0,0,0,0,0|1,0,0]=1 42 B9R1.6 O=C(O)C1CCCNC1 Q68914 [0,0,0,0,0,0|1,0,0]=1 43 B9R1.6 O=C(O)C1CCCNC1 Q68915 [0,0,0,0,0,0|1,0,0]=1 44 B9R1.6 O=C(O)C1CCCOC1 C-3481 [0,0,0,0,0,0|1,0,0]=1 45 B9R1.6 O=C(O)C1CCCSC1 G-5680 [0,0,0,0,0,0|1,0,0]=1 46 B9R1.6 O=C(O)C1CCOCC1 C-3267 [0,0,0,0,0,0|1,0,0]=1 47 B9R1.6 O=C(O)C1CCSCC1 I-9620 [0,0,0,0,0,0|1,0,0]=1 48 B9R1.6 O=C(O)C1CNCCN1 G-6608 [0,0,0,0,0,0|2,0,0]=2 49 B9R1.6 O=C(O)C1CNCCO1 B-1026 [0,0,0,0,0,0|2,0,0]=2 50 B9R1.6 O=C(O)C1CNCCS1 P51392 [0,0,0,0,0,0|2,0,0]=2 51 B9R1.6 O=C(O)C1COCCN1 10206 [0,0,0,0,0,0|2,0,0]=2 52 B9R1.6 O=C(O)C1COCCN1 O28641 [0,0,0,0,0,0|2,0,0]=2 53 B9R1.6 O=C(O)C1COCCO1 O34332 [0,0,0,0,0,0|2,0,0]=2 54 B9R1.6 O=C(O)C1CSCCN1 A-595 [0,0,0,0,0,0|2,0,0]=2 55 B9R1.6 O=C(O)C1CSCCN1 O31853 [0,0,0,0,0,0|2,0,0]=2 56 B9R1.6 O=C(O)[C@@H]1CC=CCC1 I-9874 [0,0,0,0,0,0|0,0,2]=2 57 B9R1.6 O=C(O)[C@@H]1CCCCO1 L18365 [0,0,0,0,0,0|1,0,0]=1 58 B9R1.6 O=C(O)[C@@H]1CCCOC1 Q63448 [0,0,0,0,0,0|1,0,0]=1 59 B9R1.6 O=C(O)[C@@H]1CNCCN1 G-6607 [0,0,0,0,0,0|2,0,0]=2 60 B9R1.6 O=C(O)[C@@H]1CNCCN1 G-6939 [0,0,0,0,0,0|2,0,0]=2 61 B9R1.6 O=C(O)[C@@H]1CNCCO1 B-1027 [0,0,0,0,0,0|2,0,0]=2 62 B9R1.6 O=C(O)[C@@H]1COCCN1 10205 [0,0,0,0,0,0|2,0,0]=2 63 B9R1.6 O=C(O)[C@@H]1COCCN1 B-1036 [0,0,0,0,0,0|2,0,0]=2 64 B9R1.6 O=C(O)[C@@H]1COCCO1 O34581 [0,0,0,0,0,0|2,0,0]=2 65 B9R1.6 O=C(O)[C@@H]1CSCCN1 A-596 [0,0,0,0,0,0|2,0,0]=2 66 B9R1.6 O=C(O)[C@H]1CC=CCC1 G-7812 [0,0,0,0,0,0|0,0,2]=2 67 B9R1.6 O=C(O)[C@H]1CCCCO1 L21810 [0,0,0,0,0,0|1,0,0]=1 68 B9R1.6 O=C(O)[C@H]1CCCOC1 Q63449 [0,0,0,0,0,0|1,0,0]=1 69 B9R1.6 O=C(O)[C@H]1CNCCN1 G-6940 [0,0,0,0,0,0|2,0,0]=2 70 B9R1.6 O=C(O)[C@H]1CNCCO1 10203 [0,0,0,0,0,0|2,0,0]=2 71 B9R1.6 O=C(O)[C@H]1CNCCO1 B-1028 [0,0,0,0,0,0|2,0,0]=2 72 B9R1.6 O=C(O)[C@H]1COCCN1 B-1037 [0,0,0,0,0,0|2,0,0]=2 73 B9R1.6 O=C(O)[C@H]1COCCN1 I-9498 [0,0,0,0,0,0|2,0,0]=2 74 B9R1.6 O=C(O)[C@H]1COCCO1 O34574 [0,0,0,0,0,0|2,0,0]=2 75 B9R1.6 O=C(O)[C@H]1CSCCN1 A-597 [0,0,0,0,0,0|2,0,0]=2 76 B9R1.6 O=[N+]([O-])C1CCNCC1 Q64791 [0,0,0,0,0,0|2,0,1]=3 77 B8R1.2 BrCC1CCCNC1 Q55055 [1,0,0,0,0,0|2,0,1]=4 78 B8R1.2 BrCC1CCCOC1 G-6343 [1,0,0,0,0,0|2,0,1]=4 79 B8R1.2 BrCC1CCNCC1 L21509 [1,0,0,0,0,0|2,0,1]=4 80 B8R1.2 BrCC1CCOCC1 G-5150 [1,0,0,0,0,0|2,0,1]=4 81 B8R1.2 BrCC1CCSCC1 O29933 [1,0,0,0,0,0|2,0,1]=4 82 B8R1.2 BrC[C@@H]1CCCNC1 Q55056 [1,0,0,0,0,0|2,0,1]=4 83 B8R1.2 BrC[C@@H]1CCCOC1 Q62734 [1,0,0,0,0,0|2,0,1]=4 84 B8R1.2 BrC[C@H]1CCCNC1 Q55057 [1,0,0,0,0,0|2,0,1]=4 85 B8R1.2 BrC[C@H]1CCCOC1 Q62735 [1,0,0,0,0,0|2,0,1]=4 86 B8R1.2 C#CC1CCCCN1 O30119 [1,0,0,0,0,0|2,0,1]=4 87 B8R1.2 C#CC1CCCCO1 Q62780 [1,0,0,0,0,0|2,0,1]=4 88 B8R1.2 C#CC1CCCNC1 L13025 [1,0,0,0,0,0|2,0,1]=4 89 B8R1.2 C#CC1CCCNC1 Q56306 [1,0,0,0,0,0|2,0,1]=4 90 B8R1.2 C#CC1CCCOC1 Q56322 [1,0,0,0,0,0|2,0,1]=4 91 B8R1.2 C#CC1CCNCC1 I-9267 [1,0,0,0,0,0|2,0,1]=4 92 B8R1.2 C#CC1CCNCC1 Q56307 [1,0,0,0,0,0|2,0,1]=4 93 B8R1.2 C#CC1CCOCC1 C-3588 [1,0,0,0,0,0|2,0,1]=4 94 B8R1.2 C#CC1CCSCC1 O32975 [1,0,0,0,0,0|2,0,1]=4 95 B8R1.2 C#C[C@@H]1CCCCO1 Q62782 [1,0,0,0,0,0|2,0,1]=4 96 B8R1.2 C#C[C@H]1CCCCO1 Q62781 [1,0,0,0,0,0|2,0,1]=4 97 B8R1.2 C=CC1CCOCC1 Q57821 [1,0,0,0,0,0|2,0,0]=3 98 B8R1.2 CCC1CCNCC1 P41021 [1,0,0,0,0,0|2,0,1]=4 99 B8R1.2 CC[C@@H]1CCCCN1 Q54717 [1,0,0,0,0,0|2,0,1]=4 100 B8R1.2 CC[C@@H]1CCCNC1 Q61422 [1,0,0,0,0,0|2,0,1]=4 101 B8R1.2 CC[C@H]1CCCNC1 Q61421 [1,0,0,0,0,0|2,0,1]=4 102 B8R1.2 CNC1CCCNC1 K10899 [1,0,0,0,0,0|3,0,0]=4 103 B8R1.2 CNC1CCCSC1 Q57932 [1,0,0,0,0,0|3,0,0]=4 104 B8R1.2 CNC1CCCSC1 Q57933 [1,0,0,0,0,0|3,0,0]=4 105 B8R1.2 CNC1CCNCC1 L21525 [1,0,0,0,0,0|3,0,0]=4 106 B8R1.2 CNC1CCOCC1 G-5151 [1,0,0,0,0,0|3,0,0]=4 107 B8R1.2 CN[C@@H]1CCCOC1 Q55431 [1,0,0,0,0,0|3,0,0]=4 108 B8R1.2 CN[C@H]1CCCOC1 Q55432 [1,0,0,0,0,0|3,0,0]=4 109 B8R1.2 COC1CCCNC1 C-3504 [1,0,0,0,0,0|3,0,0]=4 110 B8R1.2 COC1CCCNC1 M22805 [1,0,0,0,0,0|3,0,0]=4 111 B8R1.2 COC1CCNCC1 C-2394 [1,0,0,0,0,0|3,0,0]=4 112 B8R1.2 COC1CCNCC1 C-3203 [1,0,0,0,0,0|3,0,0]=4 113 B8R1.2 CO[C@@H]1CCCNC1 G-7538 [1,0,0,0,0,0|3,0,0]=4 114 B8R1.2 CO[C@@H]1CCCNC1 L13637 [1,0,0,0,0,0|3,0,0]=4 115 B8R1.2 CO[C@H]1CCCNC1 G-5239 [1,0,0,0,0,0|3,0,0]=4 116 B8R1.2 CO[C@H]1CCCNC1 L21633 [1,0,0,0,0,0|3,0,0]=4 117 B8R1.2 CSC1CCCNC1 H-8554 [1,0,0,0,0,0|3,0,0]=4 118 B8R1.2 CSC1CCNCC1 C-2200 [1,0,0,0,0,0|3,0,0]=4 119 B8R1.2 ClCC1CCNCC1 L21584 [1,0,0,0,0,0|2,0,1]=4 120 B8R1.2 FCC1CCCCN1 Q52081 [1,0,0,0,0,0|2,0,1]=4 121 B8R1.2 FCC1CCCNC1 M23801 [1,0,0,0,0,0|2,0,1]=4 122 B8R1.2 FCC1CCNCC1 L13946 [1,0,0,0,0,0|2,0,1]=4 123 B8R1.2 FC[C@@H]1CCCCN1 Q52082 [1,0,0,0,0,0|2,0,1]=4 124 B8R1.2 FC[C@@H]1CCCNC1 Q65004 [1,0,0,0,0,0|2,0,1]=4 125 B8R1.2 FC[C@H]1CCCCN1 Q52083 [1,0,0,0,0,0|2,0,1]=4 126 B8R1.2 FC[C@H]1CCCNC1 Q65002 [1,0,0,0,0,0|2,0,1]=4 127 B8R1.2 ICC1CCOCC1 C-3412 [1,0,0,0,0,0|2,0,1]=4 128 B8R1.2 N#CC1CCCCC1 P45205 [1,0,0,0,0,0|1,0,1]=3 129 B8R1.2 N#CC1CCCCN1 A-125 [1,0,0,0,0,0|2,0,1]=4 130 B8R1.2 N#CC1CCCCS1 Q57985 [1,0,0,0,0,0|2,0,1]=4 131 B8R1.2 N#CC1CCCNC1 A-124 [1,0,0,0,0,0|2,0,1]=4 132 B8R1.2 N#CC1CCCNC1 G-5248 [1,0,0,0,0,0|2,0,1]=4 133 B8R1.2 N#CC1CCCOC1 Q54972 [1,0,0,0,0,0|2,0,1]=4 134 B8R1.2 N#CC1CCNCC1 A-123 [1,0,0,0,0,0|2,0,1]=4 135 B8R1.2 N#CC1CCOCC1 C-3419 [1,0,0,0,0,0|2,0,1]=4 136 B8R1.2 N#CC1CCSCC1 L14051 [1,0,0,0,0,0|2,0,1]=4 137 B8R1.2 N#C[C@@H]1CCCCN1 L18519 [1,0,0,0,0,0|2,0,1]=4 138 B8R1.2 N#C[C@@H]1CCCCN1 O33498 [1,0,0,0,0,0|2,0,1]=4 139 B8R1.2 N#C[C@@H]1CCCCN1 Q52040 [1,0,0,0,0,0|2,0,1]=4 140 B8R1.2 N#C[C@@H]1CCCNC1 L14278 [1,0,0,0,0,0|2,0,1]=4 141 B8R1.2 N#C[C@@H]1CCCNC1 P50463 [1,0,0,0,0,0|2,0,1]=4 142 B8R1.2 N#C[C@@H]1CCCNC1 Q65261 [1,0,0,0,0,0|2,0,1]=4 143 B8R1.2 N#C[C@H]1CCCCN1 O33248 [1,0,0,0,0,0|2,0,1]=4 144 B8R1.2 N#C[C@H]1CCCCN1 Q52041 [1,0,0,0,0,0|2,0,1]=4 145 B8R1.2 N#C[C@H]1CCCCN1 Q52042 [1,0,0,0,0,0|2,0,1]=4 146 B8R1.2 N#C[C@H]1CCCNC1 L14298 [1,0,0,0,0,0|2,0,1]=4 147 B8R1.2 N#C[C@H]1CCCNC1 Q65260 [1,0,0,0,0,0|2,0,1]=4 148 B8R1.2 NCC1CCCCS1 Q57980 [1,0,0,0,0,0|2,0,1]=4 149 B8R1.2 NCC1CCCOC1 L21850 [1,0,0,0,0,0|2,0,1]=4 150 B8R1.2 NCC1CCCSC1 Q57994 [1,0,0,0,0,0|2,0,1]=4 151 B8R1.2 NCC1CCOCC1 C-3413 [1,0,0,0,0,0|2,0,1]=4 152 B8R1.2 NCC1CCSCC1 I-9299 [1,0,0,0,0,0|2,0,1]=4 153 B8R1.2 NCC1CCSCC1 O30354 [1,0,0,0,0,0|2,0,1]=4 154 B8R1.2 NC[C@@H]1CCCCO1 Q62567 [1,0,0,0,0,0|2,0,1]=4 155 B8R1.2 NC[C@@H]1CCCOC1 L18118 [1,0,0,0,0,0|2,0,1]=4 156 B8R1.2 NC[C@@H]1CCCOC1 Q56432 [1,0,0,0,0,0|2,0,1]=4 157 B8R1.2 NC[C@H]1CCCCO1 Q62568 [1,0,0,0,0,0|2,0,1]=4 158 B8R1.2 NC[C@H]1CCCOC1 L18117 [1,0,0,0,0,0|2,0,1]=4 159 B8R1.2 NC[C@H]1CCCOC1 Q56431 [1,0,0,0,0,0|2,0,1]=4 160 B8R1.2 NNC1CCCNC1 O31292 [1,0,0,0,0,0|3,0,0]=4 161 B8R1.2 NNC1CCCNC1 O31297 [1,0,0,0,0,0|3,0,0]=4 162 B8R1.2 NNC1CCCOC1 Q52422 [1,0,0,0,0,0|3,0,0]=4 163 B8R1.2 NNC1CCCOC1 Q52423 [1,0,0,0,0,0|3,0,0]=4 164 B8R1.2 NNC1CCNCC1 O29960 [1,0,0,0,0,0|3,0,0]=4 165 B8R1.2 NNC1CCNCC1 O31367 [1,0,0,0,0,0|3,0,0]=4 166 B8R1.2 NNC1CCNCC1 Q57490 [1,0,0,0,0,0|3,0,0]=4 167 B8R1.2 NNC1CCOCC1 C-3567 [1,0,0,0,0,0|3,0,0]=4 168 B8R1.2 NNC1CCOCC1 O31822 [1,0,0,0,0,0|3,0,0]=4 169 B8R1.2 NNC1CCOCC1 Q62217 [1,0,0,0,0,0|3,0,0]=4 170 B8R1.2 NNC1CCSCC1 O31250 [1,0,0,0,0,0|3,0,0]=4 171 B8R1.2 NOC1CCOCC1 Q57828 [1,0,0,0,0,0|3,0,0]=4 172 B8R1.2 O=CC1CCCCO1 Q60246 [1,0,0,0,0,0|1,0,0]=2 173 B8R1.2 O=CC1CCNCC1 O30562 [1,0,0,0,0,0|1,0,0]=2 174 B8R1.2 O=CC1CCOCC1 C-3265 [1,0,0,0,0,0|1,0,0]=2 175 B8R1.2 O=CC1CCSCC1 O32574 [1,0,0,0,0,0|1,0,0]=2 176 B8R1.2 OCC1CCCCS1 Q57888 [1,0,0,0,0,0|1,0,1]=3 177 B8R1.2 OCC1CCCOC1 F-4498 [1,0,0,0,0,0|1,0,1]=3 178 B8R1.2 OCC1CCCSC1 Q57993 [1,0,0,0,0,0|1,0,1]=3 179 B8R1.2 OCC1CCOCC1 C-3562 [1,0,0,0,0,0|1,0,1]=3 180 B8R1.2 OCC1CCSCC1 O31147 [1,0,0,0,0,0|1,0,1]=3 181 B8R1.2 OCC1CNCCO1 B-1078 [1,0,0,0,0,0|2,0,1]=4 182 B8R1.2 OCC1COCCN1 B-1087 [1,0,0,0,0,0|2,0,1]=4 183 B8R1.2 OCC1COCCO1 K16125 [1,0,0,0,0,0|2,0,1]=4 184 B8R1.2 OC[C@@H]1CCCCN1 M23455 [1,0,0,0,0,0|1,0,1]=3 185 B8R1.2 OC[C@@H]1CCCCO1 F-4789 [1,0,0,0,0,0|1,0,1]=3 186 B8R1.2 OC[C@@H]1CCCNC1 P44488 [1,0,0,0,0,0|1,0,1]=3 187 B8R1.2 OC[C@@H]1CCCOC1 P43927 [1,0,0,0,0,0|1,0,1]=3 188 B8R1.2 OC[C@@H]1CNCCN1 B-1173 [1,0,0,0,0,0|2,0,1]=4 189 B8R1.2 OC[C@@H]1CNCCO1 B-1080 [1,0,0,0,0,0|2,0,1]=4 190 B8R1.2 OC[C@@H]1COCCN1 B-1089 [1,0,0,0,0,0|2,0,1]=4 191 B8R1.2 OC[C@@H]1COCCO1 O34308 [1,0,0,0,0,0|2,0,1]=4 192 B8R1.2 OC[C@H]1CCCCN1 M23615 [1,0,0,0,0,0|1,0,1]=3 193 B8R1.2 OC[C@H]1CCCCO1 P43928 [1,0,0,0,0,0|1,0,1]=3 194 B8R1.2 OC[C@H]1CCCNC1 O31559 [1,0,0,0,0,0|1,0,1]=3 195 B8R1.2 OC[C@H]1CCCNC1 P41232 [1,0,0,0,0,0|1,0,1]=3 196 B8R1.2 OC[C@H]1CCCOC1 P43926 [1,0,0,0,0,0|1,0,1]=3 197 B8R1.2 OC[C@H]1CNCCO1 B-1079 [1,0,0,0,0,0|2,0,1]=4 198 B8R1.2 OC[C@H]1COCCN1 B-1088 [1,0,0,0,0,0|2,0,1]=4 199 B8R1.2 OC[C@H]1COCCO1 O34310 [1,0,0,0,0,0|2,0,1]=4 200 B10R1.13 CC(=O)C1CCC(C)CC1 P46802 [0,1,0,0,0,0|1,0,0]=2 201 B10R1.13 CC(=O)N1CCC(=O)CC1 P45761 [0,1,0,0,0,0|2,0,1]=4 202 B10R1.13 CC(=O)N1CCC(N)CC1 O28085 [0,1,0,0,0,0|2,0,0]=3 203 B10R1.13 CC(=O)N1CCC(O)CC1 G-5903 [0,1,0,0,0,0|2,0,0]=3 204 B10R1.13 CC(C)[C@H]1CC[C@@H](N)CC1 P45915 [0,1,0,0,0,0|2,0,1]=4 205 B10R1.13 CC(C)[C@H]1CC[C@H](N)CC1 P45914 [0,1,0,0,0,0|2,0,1]=4 206 B10R1.13 CC1=CC[C@H](C(=O)O)CC1 P49327 [0,1,0,0,0,0|0,0,2]=3 207 B10R1.13 CC1CCC(C(=O)O)CC1 Q65983 [0,1,0,0,0,0|0,0,0]=1 208 B10R1.13 CC1CCC(C(=O)O)NC1 Q61273 [0,1,0,0,0,0|1,0,0]=2 209 B10R1.13 CC1CCC(C(C)O)CC1 P45722 [0,1,0,0,0,0|1,0,1]=3 210 B10R1.13 CN(C)C1CCC(I)CC1 P44014 [0,1,0,0,0,0|3,0,0]=4 211 B10R1.13 CN(C)C1CCC(N)CC1 P38130 [0,1,0,0,0,0|3,0,0]=4 212 B10R1.13 CN(C)C1CCC(O)CC1 O33979 [0,1,0,0,0,0|3,0,0]=4 213 B10R1.13 CN(C)[C@H]1CC[C@@H](O)CC1 P49942 [0,1,0,0,0,0|3,0,0]=4 214 B10R1.13 CN(C)[C@H]1CC[C@H](N)CC1 O32458 [0,1,0,0,0,0|3,0,0]=4 215 B10R1.13 CN(C)[C@H]1CC[C@H](O)CC1 P43159 [0,1,0,0,0,0|3,0,0]=4 216 B10R1.13 CN(C)[C@H]1CC[C@H](O)CC1 P49941 [0,1,0,0,0,0|3,0,0]=4 217 B10R1.13 CN1CCC(B(O)O)CC1 Q53789 [0,1,0,0,0,0|2,0,1]=4 218 B10R1.13 CN1CCC(C(=O)O)CC1 P36469 [0,1,0,0,0,0|1,0,0]=2 219 B10R1.13 C[C@@H]1CC[C@@H](C(=O)O)NC1 Q61275 [0,1,0,0,0,0|1,0,0]=2 220 B10R1.13 C[C@H]1CC[C@@H](C(=O)O)CC1 P44802 [0,1,0,0,0,0|0,0,0]=1 221 B10R1.13 C[C@H]1CC[C@@H](C(=O)O)NC1 Q61274 [0,1,0,0,0,0|1,0,0]=2 222 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CC1 P48880 [0,1,0,0,0,0|0,0,0]=1 223 B10R1.13 NC(=O)C1CCC(N)CC1 L19769 [0,1,0,0,0,0|1,0,0]=2 224 B10R1.13 NC(=O)[C@@H]1CC[C@@H](N)CO1 Q62832 [0,1,0,0,0,0|2,0,0]=3 225 B10R1.13 NC(=O)[C@@H]1CC[C@@H](N)CO1 Q62833 [0,1,0,0,0,0|2,0,0]=3 226 B10R1.13 NC(=O)[C@H]1CC[C@@H](N)CC1 P45227 [0,1,0,0,0,0|1,0,0]=2 227 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 G-6712 [0,1,0,0,0,0|0,0,0]=1 228 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 I-9648 [0,1,0,0,0,0|0,0,0]=1 229 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 P44642 [0,1,0,0,0,0|0,0,0]=1 230 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 Q65361 [0,1,0,0,0,0|0,0,0]=1 231 B10R1.13 N[C@H]1CC[C@H](C(F)F)CC1 P48964 [0,1,0,0,0,0|2,0,1]=4 232 B10R1.13 O=C(O)C1CC=C(Br)CC1 P43988 [0,1,0,0,0,0|0,0,2]=3 233 B10R1.13 O=C(O)C1CCC(Br)CC1 P44914 [0,1,0,0,0,0|0,0,0]=1 234 B10R1.13 O=C(O)C1CCC(F)CC1 L14338 [0,1,0,0,0,0|0,0,0]=1 235 B10R1.13 O=C(O)C1CCC(O)CC1 P44657 [0,1,0,0,0,0|0,0,0]=1 236 B10R1.13 O=C(O)[C@@H]1CC[C@@H](O)CN1 Q61202 [0,1,0,0,0,0|1,0,0]=2 237 B10R1.13 O=C(O)[C@@H]1CC[C@@H](O)CN1 Q61203 [0,1,0,0,0,0|1,0,0]=2 238 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 H-8229 [0,1,0,0,0,0|1,0,0]=2 239 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 I-9385 [0,1,0,0,0,0|1,0,0]=2 240 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 L13648 [0,1,0,0,0,0|1,0,0]=2 241 B10R1.13 O=C(O)[C@H]1CC[C@@H](F)CC1 L21280 [0,1,0,0,0,0|0,0,0]=1 242 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 I-9653 [0,1,0,0,0,0|0,0,0]=1 243 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CN1 Q65016 [0,1,0,0,0,0|1,0,0]=2 244 B10R1.13 O=C(O)[C@H]1CC[C@H](F)CC1 L21286 [0,1,0,0,0,0|0,0,0]=1 245 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 F-4662 [0,1,0,0,0,0|0,0,0]=1 246 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CN1 Q52585 [0,1,0,0,0,0|1,0,0]=2 247 B10R1.13 O=C1CCC(C(=O)O)CC1 F-4452 [0,1,0,0,0,0|0,0,1]=2 248 B10R1.13 O=C1CCC(C(=O)O)CN1 C-3651 [0,1,0,0,0,0|1,0,1]=3 249 B10R1.13 O=C1CCC(C(=O)O)NC1 F-4380 [0,1,0,0,0,0|1,0,1]=3 250 B10R1.13 O=C1CCC(C(=O)O)NC1 M23652 [0,1,0,0,0,0|1,0,1]=3 251 B10R1.13 O=C1CC[C@@H](C(=O)O)CN1 Q55736 [0,1,0,0,0,0|1,0,1]=3 252 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 Q55039 [0,1,0,0,0,0|1,0,1]=3 253 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 Q55040 [0,1,0,0,0,0|1,0,1]=3 254 B10R1.13 O=C1CC[C@H](C(=O)O)CN1 Q55737 [0,1,0,0,0,0|1,0,1]=3 255 B10R1.13 O=C1CC[C@H](C(=O)O)NC1 Q55041 [0,1,0,0,0,0|1,0,1]=3 256 B10R1.13 O=C1CC[C@H](C(=O)O)NC1 Q55042 [0,1,0,0,0,0|1,0,1]=3 257 B10R1.15 C#CC(=O)N1CCOCC1 L19104 [0,1,0,0,0,0|3,0,0]=4 258 B10R1.15 C#CC(N)C1CCCCC1 Q59586 [0,1,0,0,0,0|2,0,1]=4 259 B10R1.15 C#CC(O)C1CCCCC1 O29914 [0,1,0,0,0,0|1,0,1]=3 260 B10R1.15 C=CC(=O)N1CCCCC1 Q59960 [0,1,0,0,0,0|2,0,0]=3 261 B10R1.15 C=CC(=O)N1CCNCC1 O32655 [0,1,0,0,0,0|3,0,0]=4 262 B10R1.15 CC(CN)C1CCCCC1 Q59743 [0,1,0,0,0,0|2,0,1]=4 263 B10R1.15 CC(NN)C1CCCCC1 L20938 [0,1,0,0,0,0|2,0,1]=4 264 B10R1.15 CCC(=O)N1CCNCC1 P36186 [0,1,0,0,0,0|3,0,0]=4 265 B10R1.15 CCC(=O)N1CCOCC1 P38920 [0,1,0,0,0,0|3,0,0]=4 266 B10R1.15 CCC(N)C1CCCCC1 P45080 [0,1,0,0,0,0|2,0,1]=4 267 B10R1.15 CNC(=O)C1CCCCN1 O28556 [0,1,0,0,0,0|2,0,0]=3 268 B10R1.15 CNC(=O)C1CCCNC1 O28821 [0,1,0,0,0,0|2,0,0]=3 269 B10R1.15 CNC(=O)C1CCNCC1 O28891 [0,1,0,0,0,0|2,0,0]=3 270 B10R1.15 CNC(=O)[C@@H]1CCCCN1 P39879 [0,1,0,0,0,0|2,0,0]=3 271 B10R1.15 CNC(=O)[C@@H]1CCCNC1 L14635 [0,1,0,0,0,0|2,0,0]=3 272 B10R1.15 CNC(=O)[C@H]1CCCCN1 P39159 [0,1,0,0,0,0|2,0,0]=3 273 B10R1.15 CNC(=O)[C@H]1CCCNC1 P42603 [0,1,0,0,0,0|2,0,0]=3 274 B10R1.15 CNC(C)C1CCCCC1 O32069 [0,1,0,0,0,0|2,0,1]=4 275 B10R1.15 COC(=O)C1=CCOCC1 G-6683 [0,1,0,0,0,0|1,0,2]=4 276 B10R1.15 COC(=O)C1=CNCCC1 L14471 [0,1,0,0,0,0|1,0,2]=4 277 B10R1.15 COC(=O)C1CCCCS1 Q57984 [0,1,0,0,0,0|1,0,0]=2 278 B10R1.15 COC(=O)C1CCCOC1 C-3572 [0,1,0,0,0,0|1,0,0]=2 279 B10R1.15 COC(=O)C1CCOCC1 G-5345 [0,1,0,0,0,0|1,0,0]=2 280 B10R1.15 COC(=O)C1CCSCC1 L13577 [0,1,0,0,0,0|1,0,0]=2 281 B10R1.15 COC(=O)C1CNCCO1 B-1081 [0,1,0,0,0,0|2,0,0]=3 282 B10R1.15 COC(=O)C1COCCN1 B-1084 [0,1,0,0,0,0|2,0,0]=3 283 B10R1.15 COC(=O)[C@@H]1CC=CCC1 P44079 [0,1,0,0,0,0|0,0,2]=3 284 B10R1.15 COC(=O)[C@@H]1CC=CCN1 Q56720 [0,1,0,0,0,0|1,0,2]=4 285 B10R1.15 COC(=O)[C@@H]1CCCNC1 I-9692 [0,1,0,0,0,0|1,0,0]=2 286 B10R1.15 COC(=O)[C@@H]1CCCNC1 M23016 [0,1,0,0,0,0|1,0,0]=2 287 B10R1.15 COC(=O)[C@@H]1CNCCO1 B-1083 [0,1,0,0,0,0|2,0,0]=3 288 B10R1.15 COC(=O)[C@@H]1COCCN1 B-1086 [0,1,0,0,0,0|2,0,0]=3 289 B10R1.15 COC(=O)[C@H]1CC=CCC1 P44077 [0,1,0,0,0,0|0,0,2]=3 290 B10R1.15 COC(=O)[C@H]1CCCCN1 P40267 [0,1,0,0,0,0|1,0,0]=2 291 B10R1.15 COC(=O)[C@H]1CCCNC1 I-9239 [0,1,0,0,0,0|1,0,0]=2 292 B10R1.15 COC(=O)[C@H]1CNCCN1 L18183 [0,1,0,0,0,0|2,0,0]=3 293 B10R1.15 COC(=O)[C@H]1CNCCO1 B-1082 [0,1,0,0,0,0|2,0,0]=3 294 B10R1.15 COC(=O)[C@H]1COCCN1 B-1085 [0,1,0,0,0,0|2,0,0]=3 295 B10R1.15 NC(CO)C1CCCCC1 P34733 [0,1,0,0,0,0|1,0,1]=3 296 B10R1.15 NC(CO)C1CCCOC1 Q57786 [0,1,0,0,0,0|2,0,1]=4 297 B10R1.15 NC(CO)C1CCOCC1 Q57770 [0,1,0,0,0,0|2,0,1]=4 298 B10R1.15 NC(CO)C1CCOCC1 Q57771 [0,1,0,0,0,0|2,0,1]=4 299 B10R1.15 NCC(=O)C1CCCCC1 G-7089 [0,1,0,0,0,0|1,0,0]=2 300 B10R1.15 NCC(=O)N1CCCCC1 P37527 [0,1,0,0,0,0|2,0,0]=3 301 B10R1.15 NCC(=O)N1CCOCC1 P39439 [0,1,0,0,0,0|3,0,0]=4 302 B10R1.15 NCC(O)C1CCCCC1 P45451 [0,1,0,0,0,0|1,0,1]=3 303 B10R1.15 NCC(O)C1CCOCC1 Q54597 [0,1,0,0,0,0|2,0,1]=4 304 B10R1.15 NCC(O)C1CCOCC1 Q54598 [0,1,0,0,0,0|2,0,1]=4 305 B10R1.15 NNC(=O)C1CCCOC1 L22371 [0,1,0,0,0,0|2,0,0]=3 306 B10R1.15 NNC(=O)C1CCOCC1 M23034 [0,1,0,0,0,0|2,0,0]=3 307 B10R1.15 N[C@@H](CO)C1CCCCC1 P35745 [0,1,0,0,0,0|1,0,1]=3 308 B10R1.15 N[C@H](CO)C1CCCCC1 P35847 [0,1,0,0,0,0|1,0,1]=3 309 B10R1.15 N\C(=N/O)C1CCCCN1 Q57548 [0,1,0,0,0,0|2,0,0]=3 310 B10R1.15 N\C(=N/O)C1CCOCC1 Q57609 [0,1,0,0,0,0|2,0,0]=3 311 B10R1.15 O=C(CBr)C1CCCCC1 P44539 [0,1,0,0,0,0|1,0,0]=2 312 B10R1.15 O=C(CBr)C1CCOCC1 I-9777 [0,1,0,0,0,0|2,0,0]=3 313 B10R1.15 O=C(CCl)N1CCCCC1 P41242 [0,1,0,0,0,0|2,0,0]=3 314 B10R1.28 CC(C)(N)C1CCCCC1 Q59747 [0,1,0,0,0,0|2,0,1]=4 315 B10R1.28 CC(C)(N)C1CCCCC1 Q59748 [0,1,0,0,0,0|2,0,1]=4 316 B10R1.28 CC(C)(O)C1CCCCC1 L21477 [0,1,0,0,0,0|1,0,1]=3 317 B10R1.28 CC(C)(O)C1CCCNC1 Q66256 [0,1,0,0,0,0|2,0,1]=4 318 B10R1.28 CC(C)(O)C1CCOCC1 Q57789 [0,1,0,0,0,0|2,0,1]=4 319 B10R1.28 CS(=N)(=O)C1CCCCC1 Q57257 [0,1,0,0,0,0|2,0,0]=3 320 B10R1.28 CS(=O)(=O)C1CCCNC1 G-5246 [0,1,0,0,0,0|2,0,1]=4 321 B10R1.28 CS(=O)(=O)C1CCNCC1 C-2202 [0,1,0,0,0,0|2,0,1]=4 322 B10R1.28 CS(=O)(=O)C1CCNCC1 O28408 [0,1,0,0,0,0|2,0,1]=4 323 B10R1.28 CS(=O)(=O)[C@@H]1CCCNC1 Q51829 [0,1,0,0,0,0|2,0,1]=4 324 B10R1.28 CS(=O)(=O)[C@@H]1CCCNC1 Q51830 [0,1,0,0,0,0|2,0,1]=4 325 B10R1.28 CS(=O)(=O)[C@H]1CCCNC1 L18434 [0,1,0,0,0,0|2,0,1]=4 326 B10R1.28 CS(=O)(=O)[C@H]1CCCNC1 Q51831 [0,1,0,0,0,0|2,0,1]=4 327 B10R1.28 F[B-](F)(F)C1CCCCC1 P51319 [0,1,0,0,0,0|3,0,0]=4 328 B10R1.28 NS(=O)(=O)C1CCCNC1 O29812 [0,1,0,0,0,0|2,0,1]=4 329 B10R1.28 NS(=O)(=O)C1CCCOC1 Q57693 [0,1,0,0,0,0|2,0,1]=4 330 B10R1.28 NS(=O)(=O)C1CCOCC1 Q63215 [0,1,0,0,0,0|2,0,1]=4 331 B10R1.28 O=S(=O)(Cl)C1CCCCC1 P44597 [0,1,0,0,0,0|1,0,1]=3 332 B10R1.28 O=S(=O)(Cl)C1CCCOC1 Q57700 [0,1,0,0,0,0|2,0,1]=4 333 B10R1.28 O=S(=O)(Cl)N1CCCCC1 P51368 [0,1,0,0,0,0|2,0,1]=4 334 B10R1.28 O=S(=O)(F)C1CCOCC1 Q57625 [0,1,0,0,0,0|2,0,1]=4 335 B10R1.61 CC(=O)C1CCCCC1=O P44674 [0,1,0,0,0,0|1,0,1]=3 336 B10R1.61 CC(=O)C1CCCCC1F Q53666 [0,1,0,0,0,0|1,0,0]=2 337 B10R1.61 CC(C)C1CCCCC1N Q59494 [0,1,0,0,0,0|2,0,1]=4 338 B10R1.61 CC1=C(C(=O)O)CCCO1 Q60566 [0,1,0,0,0,0|1,0,2]=4 339 B10R1.61 CN1CCCC=C1C(=O)O Q60595 [0,1,0,0,0,0|1,0,2]=4 340 B10R1.61 CN1CCCC[C@@H]1C(=O)O P51590 [0,1,0,0,0,0|1,0,0]=2 341 B10R1.61 CN1CCCC[C@H]1C(=O)O Q65384 [0,1,0,0,0,0|1,0,0]=2 342 B10R1.61 CN1CCNCC1C(=O)O F-4533 [0,1,0,0,0,0|2,0,0]=3 343 B10R1.61 C[C@@H]1CC=CC[C@H]1C(=O)O P44470 [0,1,0,0,0,0|0,0,2]=3 344 B10R1.61 C[C@@H]1OCCN[C@H]1C(=O)O B-1261 [0,1,0,0,0,0|2,0,0]=3 345 B10R1.61 C[C@H]1OCCN[C@@H]1C(=O)O B-1260 [0,1,0,0,0,0|2,0,0]=3 346 B10R1.61 NC1CCCCC1C(=O)O P44627 [0,1,0,0,0,0|0,0,0]=1 347 B10R1.61 N[C@@H]1CC=CC[C@H]1C(=O)O P44650 [0,1,0,0,0,0|0,0,2]=3 348 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O O34530 [0,1,0,0,0,0|0,0,0]=1 349 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O P44580 [0,1,0,0,0,0|0,0,0]=1 350 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O P51569 [0,1,0,0,0,0|0,0,0]=1 351 B10R1.61 N[C@@H]1CCOC[C@@H]1C(=O)O Q54502 [0,1,0,0,0,0|1,0,0]=2 352 B10R1.61 N[C@@H]1CCOC[C@@H]1C(=O)O Q54503 [0,1,0,0,0,0|1,0,0]=2 353 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O P45461 [0,1,0,0,0,0|0,0,0]=1 354 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O Q70134 [0,1,0,0,0,0|0,0,0]=1 355 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O O34271 [0,1,0,0,0,0|0,0,0]=1 356 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O O34544 [0,1,0,0,0,0|0,0,0]=1 357 B10R1.61 N[C@H]1CCOC[C@H]1C(=O)O Q54604 [0,1,0,0,0,0|1,0,0]=2 358 B10R1.61 N[C@H]1CCOC[C@H]1C(=O)O Q54605 [0,1,0,0,0,0|1,0,0]=2 359 B10R1.61 O=C(O)C1CCCCC1O P45410 [0,1,0,0,0,0|0,0,0]=1 360 B10R1.61 O=C(O)C1CCNCC1F M23597 [0,1,0,0,0,0|1,0,0]=2 361 B10R1.61 O=C(O)[C@@H]1CCCNC1=O Q55037 [0,1,0,0,0,0|1,0,1]=3 362 B10R1.61 O=C(O)[C@@H]1NCCC[C@@H]1O Q61223 [0,1,0,0,0,0|1,0,0]=2 363 B10R1.61 O=C(O)[C@@H]1NCCC[C@@H]1O Q70051 [0,1,0,0,0,0|1,0,0]=2 364 B10R1.61 O=C(O)[C@@H]1NCCC[C@H]1O Q61220 [0,1,0,0,0,0|1,0,0]=2 365 B10R1.61 O=C(O)[C@@H]1NCCC[C@H]1O Q61224 [0,1,0,0,0,0|1,0,0]=2 366 B10R1.61 O=C(O)[C@H]1CCCNC1=O Q55038 [0,1,0,0,0,0|1,0,1]=3 367 B10R1.61 O=C(O)[C@H]1NCCC[C@@H]1O Q61221 [0,1,0,0,0,0|1,0,0]=2 368 B10R1.61 O=C(O)[C@H]1NCCC[C@@H]1O Q61222 [0,1,0,0,0,0|1,0,0]=2 369 B10R1.61 O=C(O)[C@H]1NCCC[C@H]1O Q70050 [0,1,0,0,0,0|1,0,0]=2 370 B10R1.113 CC(=O)N1CCCC(I)C1 Q61025 [0,1,0,0,0,0|2,0,0]=3 371 B10R1.113 CC1CC(C(=O)O)CCN1 Q55487 [0,1,0,0,0,0|1,0,0]=2 372 B10R1.113 CC1CC(C(=O)O)CCO1 Q61449 [0,1,0,0,0,0|1,0,0]=2 373 B10R1.113 CC1CCCC(C(C)N)C1 Q59520 [0,1,0,0,0,0|2,0,1]=4 374 B10R1.113 CC1CCNC(C(=O)O)C1 Q61262 [0,1,0,0,0,0|1,0,0]=2 375 B10R1.113 CC1CCNC(C(=O)O)C1 Q61263 [0,1,0,0,0,0|1,0,0]=2 376 B10R1.113 CN1CCCC(C(=O)O)C1 L13505 [0,1,0,0,0,0|1,0,0]=2 377 B10R1.113 CN1CCC[C@@H](C(=O)O)C1 L14828 [0,1,0,0,0,0|1,0,0]=2 378 B10R1.113 CN1CCC[C@H](C(=O)O)C1 L14829 [0,1,0,0,0,0|1,0,0]=2 379 B10R1.113 CN1CCOC(C(=O)O)C1 P35866 [0,1,0,0,0,0|2,0,0]=3 380 B10R1.113 C[C@@H]1CCC[C@H](C(=O)O)C1 P46944 [0,1,0,0,0,0|0,0,0]=1 381 B10R1.113 C[C@@H]1CCN[C@H](C(=O)O)C1 Q61267 [0,1,0,0,0,0|1,0,0]=2 382 B10R1.113 C[C@@H]1CNC[C@@H](C(=O)O)C1 Q52365 [0,1,0,0,0,0|1,0,0]=2 383 B10R1.113 C[C@@H]1CNC[C@H](C(=O)O)C1 Q52364 [0,1,0,0,0,0|1,0,0]=2 384 B10R1.113 C[C@H]1CCN[C@@H](C(=O)O)C1 Q61264 [0,1,0,0,0,0|1,0,0]=2 385 B10R1.113 C[C@H]1CCN[C@@H](C(=O)O)C1 Q61266 [0,1,0,0,0,0|1,0,0]=2 386 B10R1.113 C[C@H]1CCN[C@H](C(=O)O)C1 Q61265 [0,1,0,0,0,0|1,0,0]=2 387 B10R1.113 C[C@H]1CCOC(C(=O)O)C1 Q57859 [0,1,0,0,0,0|1,0,0]=2 388 B10R1.113 C[C@H]1CCO[C@H](C(=O)O)C1 Q57865 [0,1,0,0,0,0|1,0,0]=2 389 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)C1 Q52367 [0,1,0,0,0,0|1,0,0]=2 390 B10R1.113 C[C@H]1CNC[C@H](C(=O)O)C1 Q52366 [0,1,0,0,0,0|1,0,0]=2 391 B10R1.113 NC(=O)N1CCCC(N)C1 Q57574 [0,1,0,0,0,0|2,0,0]=3 392 B10R1.113 NC(=O)N1CCCC(N)C1 Q59863 [0,1,0,0,0,0|2,0,0]=3 393 B10R1.113 NC1CCCC(C(=O)O)C1 P44660 [0,1,0,0,0,0|0,0,0]=1 394 B10R1.113 NC1COCC(C(=O)O)C1 Q61512 [0,1,0,0,0,0|1,0,0]=2 395 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 10035 [0,1,0,0,0,0|0,0,0]=1 396 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 I-9369 [0,1,0,0,0,0|0,0,0]=1 397 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 P44816 [0,1,0,0,0,0|0,0,0]=1 398 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 L13283 [0,1,0,0,0,0|0,0,0]=1 399 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 P44485 [0,1,0,0,0,0|0,0,0]=1 400 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 10033 [0,1,0,0,0,0|0,0,0]=1 401 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 I-9281 [0,1,0,0,0,0|0,0,0]=1 402 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 I-9805 [0,1,0,0,0,0|0,0,0]=1 403 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P44486 [0,1,0,0,0,0|0,0,0]=1 404 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 I-9245 [0,1,0,0,0,0|0,0,0]=1 405 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 P44237 [0,1,0,0,0,0|0,0,0]=1 406 B10R1.113 O=C(O)C1CC(F)CCN1 Q54386 [0,1,0,0,0,0|1,0,0]=2 407 B10R1.113 O=C(O)C1CC(F)CCO1 Q64671 [0,1,0,0,0,0|1,0,0]=2 408 B10R1.113 O=C(O)C1CNCC(F)C1 Q61298 [0,1,0,0,0,0|1,0,0]=2 409 B10R1.113 O=C(O)C1COCC(O)C1 Q54620 [0,1,0,0,0,0|1,0,0]=2 410 B10R1.113 O=C(O)[C@@H]1CCC[C@@H](O)C1 P46948 [0,1,0,0,0,0|0,0,0]=1 411 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 O33392 [0,1,0,0,0,0|0,0,0]=1 412 B10R1.113 O=C(O)[C@@H]1CNC[C@H](F)C1 Q61299 [0,1,0,0,0,0|1,0,0]=2 413 B10R1.113 O=C(O)[C@@H]1CNC[C@H](F)C1 Q61300 [0,1,0,0,0,0|1,0,0]=2 414 B10R1.113 O=C(O)[C@H]1CCC[C@@H](O)C1 O33391 [0,1,0,0,0,0|0,0,0]=1 415 B10R1.113 O=C(O)[C@H]1CCC[C@H](O)C1 P49269 [0,1,0,0,0,0|0,0,0]=1 416 B10R1.113 O=C(O)[C@H]1CNC[C@@H](F)C1 Q61301 [0,1,0,0,0,0|1,0,0]=2 417 B10R1.113 O=C(O)[C@H]1C[C@H](O)CCN1 Q65170 [0,1,0,0,0,0|1,0,0]=2 418 B10R1.113 O=C1CC(C(=O)O)CCN1 G-5564 [0,1,0,0,0,0|1,0,1]=3 419 B10R1.113 O=C1CCCC(C(=O)O)C1 P47766 [0,1,0,0,0,0|0,0,1]=2 420 B10R1.113 O=C1CCC[C@@H](C(=O)O)C1 P46177 [0,1,0,0,0,0|0,0,1]=2 421 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 Q64045 [0,1,0,0,0,0|1,0,1]=3 422 B10R1.113 O=C1CCC[C@H](C(=O)O)C1 P46176 [0,1,0,0,0,0|0,0,1]=2 423 B10R1.113 O=C1CCC[C@H](C(=O)O)N1 Q64046 [0,1,0,0,0,0|1,0,1]=3 424 B10R1.113 O=C1CCNC(C(=O)O)C1 Q55043 [0,1,0,0,0,0|1,0,1]=3 425 B10R1.113 O=C1CCNC(C(=O)O)C1 S72456 [0,1,0,0,0,0|1,0,1]=3 426 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 M23516 [0,1,0,0,0,0|1,0,1]=3 427 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 M23534 [0,1,0,0,0,0|1,0,1]=3 428 B10R1.113 O=C1CCOC(C(=O)O)C1 Q61442 [0,1,0,0,0,0|1,0,1]=3 429 B10R1.363 CC(=O)C1(C)CCOCC1 H-8597 [0,1,0,0,0,0|2,0,0]=3 430 B10R1.363 CC1(C(=O)O)CCCCC1 P44677 [0,1,0,0,0,0|0,0,0]=1 431 B10R1.363 CC1(C(=O)O)CCCCN1 L18197 [0,1,0,0,0,0|1,0,0]=2 432 B10R1.363 CC1(C(=O)O)CCCNC1 G-6125 [0,1,0,0,0,0|1,0,0]=2 433 B10R1.363 CC1(C(=O)O)CCCOC1 Q52314 [0,1,0,0,0,0|1,0,0]=2 434 B10R1.363 CC1(C(=O)O)CCOCC1 C-2411 [0,1,0,0,0,0|1,0,0]=2 435 B10R1.363 CC1(C(=O)O)CCSCC1 L14353 [0,1,0,0,0,0|1,0,0]=2 436 B10R1.363 C[C@@]1(C(=O)O)CCCCN1 P44135 [0,1,0,0,0,0|1,0,0]=2 437 B10R1.363 C[C@@]1(C(=O)O)CCCCO1 Q62656 [0,1,0,0,0,0|1,0,0]=2 438 B10R1.363 C[C@]1(C(=O)O)CCCCN1 L21501 [0,1,0,0,0,0|1,0,0]=2 439 B10R1.363 C[C@]1(C(=O)O)CCCCO1 Q62655 [0,1,0,0,0,0|1,0,0]=2 440 B10R1.363 NC(=O)C1(N)CCCOC1 Q57811 [0,1,0,0,0,0|2,0,0]=3 441 B10R1.363 NC(=O)C1(N)CCCOC1 Q57812 [0,1,0,0,0,0|2,0,0]=3 442 B10R1.363 NC(=O)C1(N)CCOCC1 Q57666 [0,1,0,0,0,0|2,0,0]=3 443 B10R1.363 NC(=O)C1(O)CCOCC1 Q57680 [0,1,0,0,0,0|2,0,0]=3 444 B10R1.363 NC1(C(=O)O)CCCSC1 Q57897 [0,1,0,0,0,0|1,0,0]=2 445 B10R1.363 NC1(C(=O)O)CCNCC1 P36189 [0,1,0,0,0,0|1,0,0]=2 446 B10R1.363 NC1(C(=O)O)CCOCC1 C-3563 [0,1,0,0,0,0|1,0,0]=2 447 B10R1.363 NC1(C(F)F)CCCCC1 Q57436 [0,1,0,0,0,0|2,0,1]=4 448 B10R1.363 O=C(O)C1(F)CCCNC1 Q64779 [0,1,0,0,0,0|1,0,0]=2 449 B10R1.363 O=C(O)C1(F)CCCOC1 Q62669 [0,1,0,0,0,0|1,0,0]=2 450 B10R1.363 O=C(O)C1(F)CCOCC1 G-7936 [0,1,0,0,0,0|1,0,0]=2 451 B10R1.363 O=C(O)C1(O)CCOCC1 L14219 [0,1,0,0,0,0|1,0,0]=2 452 B10R1.363 O=C(O)C1(O)CCSCC1 Q57893 [0,1,0,0,0,0|1,0,0]=2 453 B10R1.363 OC1(C(F)F)CCCCC1 P47919 [0,1,0,0,0,0|2,0,1]=4 454 B8R0.7 C#CCCCCC(=O)O P38906 [0,0,1,0,0,0|0,0,2]=3 455 B8R0.7 C#CCOCCC(=O)O O29692 [0,0,1,0,0,0|1,0,2]=4 456 B8R0.7 CNCCCCC(=O)O P35932 [0,0,1,0,0,0|1,0,0]=2 457 B8R0.7 CNCCCNC(C)=O P37409 [0,0,1,0,0,0|3,0,0]=4 458 B8R0.7 NCCCCNC(N)=O L20055 [0,0,1,0,0,0|3,0,0]=4 459 B8R0.7 NCCOCCC(=O)O P41214 [0,0,1,0,0,0|2,0,0]=3 460 B8R0.7 [N-]=[N+]=NCCCC(=O)O 10015 [0,0,1,0,0,0|3,0,0]=4 461 B8R0.8 C#CCCC(N)C(=O)O P39732 [0,0,1,0,0,0|1,0,2]=4 462 B8R0.8 C#CCOC(C)C(=O)O O29907 [0,0,1,0,0,0|1,0,2]=4 463 B8R0.8 C=CCCC(N)C(=O)O P40793 [0,0,1,0,0,0|1,0,2]=4 464 B8R0.8 C=CCC[C@@H](N)C(=O)O P42941 [0,0,1,0,0,0|1,0,2]=4 465 B8R0.8 C=CCC[C@H](N)C(=O)O P35206 [0,0,1,0,0,0|1,0,2]=4 466 B8R0.8 CC#CC[C@@H](N)C(=O)O Q65835 [0,0,1,0,0,0|1,0,2]=4 467 B8R0.8 CC#CC[C@H](N)C(=O)O Q65833 [0,0,1,0,0,0|1,0,2]=4 468 B8R0.8 CC(=O)N(C)CCCN P35843 [0,0,1,0,0,0|3,0,0]=4 469 B8R0.8 C[Se]CC[C@H](N)C(=O)O P38844 [0,0,1,0,0,0|2,0,0]=3 470 B8R0.8 N[C@H](CCCO)C(=O)O P37057 [0,0,1,0,0,0|2,0,0]=3 471 B8R0.15 C=CCC(CC)C(=O)O Q69583 [0,0,1,0,0,0|0,0,2]=3 472 B8R0.15 CCC[C@@H](NC)C(=O)O P36548 [0,0,1,0,0,0|1,0,0]=2 473 B8R0.15 CCC[C@H](NC)C(=O)O P40204 [0,0,1,0,0,0|1,0,0]=2 474 B10R2.1 NC1CC12CCCCC2 Q59814 [0,0,0,1,0,0|2,0,1]=4 475 B10R2.1 NC1CC12CCCCC2 Q59815 [0,0,0,1,0,0|2,0,1]=4 476 B10R2.61 O=C1CC2CCCC1N2 P46614 [0,0,0,1,0,0|2,0,0]=3 477 B10R2.61 O=C1CC2CCCC1N2 P50750 [0,0,0,1,0,0|2,0,0]=3 478 B10R2.61 O=C1CN2CCCC1C2 P45592 [0,0,0,1,0,0|2,0,0]=3 479 B10R2.61 O=C1NC2CCCC1C2 K16106 [0,0,0,1,0,0|1,0,0]=2 480 B10R2.61 OC1CC2CCCC1N2 P44277 [0,0,0,1,0,0|2,0,1]=4 481 B10R2.61 OC1CC2CCCC1O2 P46004 [0,0,0,1,0,0|2,0,1]=4 482 B10R2.61 O[C@@H]1C[C@H]2CCC[C@@H]1N2 L13363 [0,0,0,1,0,0|2,0,1]=4 483 B10R2.61 O[C@@H]1C[C@H]2CCC[C@@H]1N2 P43825 [0,0,0,1,0,0|2,0,1]=4 484 B10R2.61 O[C@H]1C[C@H]2CCC[C@@H]1N2 L13433 [0,0,0,1,0,0|2,0,1]=4 485 B10R2.61 O[C@H]1C[C@H]2CCC[C@@H]1N2 P43824 [0,0,0,1,0,0|2,0,1]=4 486 B10R2.62 O=C1CC2CCC1CC2 P45854 [0,0,0,1,0,0|1,0,0]=2 487 B10R2.62 O=C1CC2CCC1CN2 O33230 [0,0,0,1,0,0|2,0,0]=3 488 B10R2.62 O=C1CN2CCC1CC2 P44564 [0,0,0,1,0,0|2,0,0]=3 489 B10R2.62 O=C1NC2CCC1CC2 G-7914 [0,0,0,1,0,0|1,0,0]=2 490 B10R2.62 OC1CC2CCC1CC2 P46815 [0,0,0,1,0,0|1,0,1]=3 491 B10R2.62 O[C@@H]1CN2CCC1CC2 P44641 [0,0,0,1,0,0|2,0,1]=4 492 B10R2.62 O[C@H]1CN2CCC1CC2 Q52434 [0,0,0,1,0,0|2,0,1]=4 493 B10R2.62 [C@@H]12CC[C@@H](CN1)CC2O G-6888 [0,0,0,1,0,0|2,0,1]=4 494 B10R2.320 O=C1N[C@@H]2CCCC[C@H]12 Q58792 [0,0,0,1,0,0|1,0,0]=2 495 B10R2.344 O=C(O)C12CC1CCN2 Q55542 [0,0,0,1,0,0|1,0,0]=2 496 B10R2.344 O=C(O)C12CC1CCN2 Q55543 [0,0,0,1,0,0|1,0,0]=2 497 B10R2.344 O=C(O)C12CCCC1C2 Q57421 [0,0,0,1,0,0|0,0,0]=1 498 B10R2.344 O=C(O)C12CNCC1C2 G-7142 [0,0,0,1,0,0|1,0,0]=2 499 B10R2.344 O=C(O)C12CNCC1C2 Q56283 [0,0,0,1,0,0|1,0,0]=2 500 B10R2.344 O=C(O)C12COCC1C2 Q62749 [0,0,0,1,0,0|1,0,0]=2 501 B10R2.344 O=C(O)[C@@]12CC1CCN2 P48694 [0,0,0,1,0,0|1,0,0]=2 502 B10R2.344 O=C(O)[C@@]12COC[C@@H]1C2 Q62751 [0,0,0,1,0,0|1,0,0]=2 503 B10R2.344 O=C(O)[C@]12COCC1C2 Q62750 [0,0,0,1,0,0|1,0,0]=2 504 B10R2.344 O=C(O)[C@]12C[C@H]1CCN2 Q55544 [0,0,0,1,0,0|1,0,0]=2 505 B10R2.344 O=C(O)[C@]12C[C@H]1CCN2 Q55545 [0,0,0,1,0,0|1,0,0]=2 506 B10R2.344 O=C(O)[C@]12C[C@H]1CCN2 Q57362 [0,0,0,1,0,0|1,0,0]=2 507 B10R2.351 NC(=O)C1C2CCOC21 Q64157 [0,0,0,1,0,0|2,0,0]=3 508 B10R2.351 NC(=O)[C@@H]1[C@H]2CNC[C@H]21 G-6018 [0,0,0,1,0,0|2,0,0]=3 509 B10R2.351 O=C(O)C1C2CCCC21 Q59530 [0,0,0,1,0,0|0,0,0]=1 510 B10R2.351 O=C(O)C1C2CCCN21 Q59336 [0,0,0,1,0,0|1,0,0]=2 511 B10R2.351 O=C(O)C1C2CCOC21 L22522 [0,0,0,1,0,0|1,0,0]=2 512 B10R2.351 O=C(O)C1C2CNCC21 Q55485 [0,0,0,1,0,0|1,0,0]=2 513 B10R2.351 O=C(O)C1C2COCC21 F-4765 [0,0,0,1,0,0|1,0,0]=2 514 B10R2.351 [C@@H]12CCO[C@@H]1[C@@H]2C(=O)O Q64154 [0,0,0,1,0,0|1,0,0]=2 515 B10R2.351 [C@@H]12CCO[C@@H]1[C@H]2C(=O)O Q64155 [0,0,0,1,0,0|1,0,0]=2 516 B10R2.351 [C@@H]12CNC[C@@H]1[C@@H]2C(=O)O Q55486 [0,0,0,1,0,0|1,0,0]=2 517 B10R2.351 [C@@H]12CNC[C@@H]1[C@H]2C(=O)O Q64222 [0,0,0,1,0,0|1,0,0]=2 518 B10R2.351 [C@@H]12CNC[C@@H]1[C@H]2C(N)=O L22123 [0,0,0,1,0,0|2,0,0]=3 519 B10R2.351 [C@@H]12COC[C@@H]1[C@@H]2C(=O)O H-8004 [0,0,0,1,0,0|1,0,0]=2 520 B10R2.351 [C@@H]12COC[C@@H]1[C@H]2C(=O)O H-8003 [0,0,0,1,0,0|1,0,0]=2 521 B10R2.355 O=C(O)C1NCC2CC21 L14641 [0,0,0,1,0,0|1,0,0]=2 522 B10R2.355 O=C(O)[C@H]1NC[C@@H]2C[C@H]12 L18192 [0,0,0,1,0,0|1,0,0]=2 523 B10R2.355 O=C(O)[C@H]1NC[C@@H]2C[C@H]12 Q52830 [0,0,0,1,0,0|1,0,0]=2 524 B10R2.355 O=C(O)[C@H]1NC[C@@H]2C[C@H]12 Q56647 [0,0,0,1,0,0|1,0,0]=2 525 B10R2.355 [C@@H]12CN[C@H](C(=O)O)[C@@H]1C2 L18089 [0,0,0,1,0,0|1,0,0]=2 526 B10R2.355 [C@@H]12CN[C@H](C(=O)O)[C@@H]1C2 Q56348 [0,0,0,1,0,0|1,0,0]=2 527 B10R2.357 NC(=O)[C@@H]1C[C@@H]2C[C@@H]2N1 Q56917 [0,0,0,1,0,0|2,0,0]=3 528 B10R2.357 NC(=O)[C@@H]1C[C@@H]2C[C@@H]2N1 Q56918 [0,0,0,1,0,0|2,0,0]=3 529 B10R2.357 O=C(O)C1CC2CC2C1 G-7814 [0,0,0,1,0,0|0,0,0]=1 530 B10R2.357 O=C(O)[C@@H]1CC2C[C@@H]2N1 G-7862 [0,0,0,1,0,0|1,0,0]=2 531 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 Q56285 [0,0,0,1,0,0|1,0,0]=2 532 B10R2.357 O=C(O)[C@@H]1C[C@H]2C[C@H]2N1 Q54451 [0,0,0,1,0,0|1,0,0]=2 533 B10R2.357 O=C(O)[C@@H]1C[C@H]2C[C@H]2N1 Q54452 [0,0,0,1,0,0|1,0,0]=2 534 B10R2.357 O=C(O)[C@H]1C[C@@H]2C[C@@H]2N1 Q57363 [0,0,0,1,0,0|1,0,0]=2 535 B10R2.357 [C@@H]12C[C@@H](C(N)=O)N[C@@H]1C2 Q52271 [0,0,0,1,0,0|2,0,0]=3 536 B10R2.357 [C@@H]12C[C@H](C(=O)O)N[C@@H]1C2 L21898 [0,0,0,1,0,0|1,0,0]=2 537 B10R2.357 [C@@H]12C[C@H](C(=O)O)N[C@@H]1C2 Q52195 [0,0,0,1,0,0|1,0,0]=2 538 B10R2.357 [C@H]12C[C@H]1C[C@@H](C(N)=O)N2 Q69750 [0,0,0,1,0,0|2,0,0]=3 539 B8R1.7 CC(=O)C1CCCN1 P37169 [0,0,0,0,1,0|2,0,0]=3 540 B8R1.7 CC(=O)C1CCCN1 Q61985 [0,0,0,0,1,0|2,0,0]=3 541 B8R1.7 CC(=O)C1CCNC1 O31491 [0,0,0,0,1,0|2,0,0]=3 542 B8R1.7 CC(=O)C1NCCS1 M15825 [0,0,0,0,1,0|3,0,0]=4 543 B8R1.7 CC(=O)[C@@H]1CCCN1 Q61986 [0,0,0,0,1,0|2,0,0]=3 544 B8R1.7 CC(=O)[C@@H]1CCCN1 Q62844 [0,0,0,0,1,0|2,0,0]=3 545 B8R1.7 CC(=O)[C@H]1CCCN1 Q62845 [0,0,0,0,1,0|2,0,0]=3 546 B8R1.7 CC(N)C1CCCC1 O30449 [0,0,0,0,1,0|2,0,1]=4 547 B8R1.7 CC(N)C1CCCC1 O33618 [0,0,0,0,1,0|2,0,1]=4 548 B8R1.7 CC(O)C1CCNC1 P41560 [0,0,0,0,1,0|2,0,1]=4 549 B8R1.7 CC(O)C1CCNC1 Q59351 [0,0,0,0,1,0|2,0,1]=4 550 B8R1.7 C[C@H](N)C1CCCC1 Q59148 [0,0,0,0,1,0|2,0,1]=4 551 B8R1.7 C[C@H](O)C1CCCC1 Q59154 [0,0,0,0,1,0|1,0,1]=3 552 B8R1.7 NC(=O)C1CCCC1 P38833 [0,0,0,0,1,0|1,0,0]=2 553 B8R1.7 NC(=O)C1CCCN1 P39079 [0,0,0,0,1,0|2,0,0]=3 554 B8R1.7 NC(=O)C1CCCN1 P42514 [0,0,0,0,1,0|2,0,0]=3 555 B8R1.7 NC(=O)C1CCNC1 G-5260 [0,0,0,0,1,0|2,0,0]=3 556 B8R1.7 NC(=O)C1CCOC1 G-6625 [0,0,0,0,1,0|2,0,0]=3 557 B8R1.7 NC(=O)[C@@H]1CCCN1 I-9393 [0,0,0,0,1,0|2,0,0]=3 558 B8R1.7 NC(=O)[C@@H]1CCCN1 P45231 [0,0,0,0,1,0|2,0,0]=3 559 B8R1.7 NC(=O)[C@@H]1CCNC1 G-5262 [0,0,0,0,1,0|2,0,0]=3 560 B8R1.7 NC(=O)[C@@H]1CCNC1 G-7539 [0,0,0,0,1,0|2,0,0]=3 561 B8R1.7 NC(=O)[C@H]1CCNC1 G-5261 [0,0,0,0,1,0|2,0,0]=3 562 B8R1.7 NC(=O)[C@H]1CCNC1 Q51836 [0,0,0,0,1,0|2,0,0]=3 563 B8R1.7 O=C(O)C1=COCC1 C-2964 [0,0,0,0,1,0|1,0,2]=4 564 B8R1.7 O=C(O)C1CC=CC1 G-6381 [0,0,0,0,1,0|0,0,2]=3 565 B8R1.7 O=C(O)C1CCNC1 G-5249 [0,0,0,0,1,0|1,0,0]=2 566 B8R1.7 O=C(O)C1CCOC1 C-3386 [0,0,0,0,1,0|1,0,0]=2 567 B8R1.7 O=C(O)C1SCCS1 L19481 [0,0,0,0,1,0|2,0,0]=3 568 B8R1.7 O=C(O)[C@@H]1C=CCN1 P39990 [0,0,0,0,1,0|1,0,2]=4 569 B8R1.7 O=C(O)[C@@H]1CCCN1 L13796 [0,0,0,0,1,0|1,0,0]=2 570 B8R1.7 O=C(O)[C@@H]1CCNC1 L18435 [0,0,0,0,1,0|1,0,0]=2 571 B8R1.7 O=C(O)[C@@H]1CCNC1 Q51834 [0,0,0,0,1,0|1,0,0]=2 572 B8R1.7 O=C(O)[C@@H]1CCOC1 C-2786 [0,0,0,0,1,0|1,0,0]=2 573 B8R1.7 O=C(O)[C@H]1C=CCN1 M22943 [0,0,0,0,1,0|1,0,2]=4 574 B8R1.7 O=C(O)[C@H]1CCNC1 G-5250 [0,0,0,0,1,0|1,0,0]=2 575 B8R1.7 O=C(O)[C@H]1CCNC1 P45277 [0,0,0,0,1,0|1,0,0]=2 576 B8R1.7 O=C(O)[C@H]1CCOC1 C-2785 [0,0,0,0,1,0|1,0,0]=2 577 B8R1.7 O=[N+]([O-])C1CCNC1 Q64792 [0,0,0,0,1,0|2,0,1]=4 578 B10R1.18 CC(=O)CC1CCOCC1 Q57610 [0,0,0,0,0,1|2,0,0]=3 579 B10R1.18 CC(=O)OC1CCNCC1 S72675 [0,0,0,0,0,1|2,0,0]=3 580 B10R1.18 CC(O)CC1CCNCC1 O29758 [0,0,0,0,0,1|2,0,1]=4 581 B10R1.18 CC(O)CC1CCOCC1 Q57644 [0,0,0,0,0,1|2,0,1]=4 582 B10R1.18 NC(=O)CC1CCCCO1 Q57816 [0,0,0,0,0,1|2,0,0]=3 583 B10R1.18 NC(=S)CN1CCCCC1 S72504 [0,0,0,0,0,1|2,1,0]=4 584 B10R1.18 NC(=S)NC1CCOCC1 Q57618 [0,0,0,0,0,1|2,1,0]=4 585 B10R1.18 O=C(Cl)CC1CCOCC1 O31670 [0,0,0,0,0,1|2,0,0]=3 586 B10R1.18 O=C(O)C=C1CCCCC1 P44624 [0,0,0,0,0,1|0,0,1]=2 587 B10R1.18 O=C(O)C=C1CCSCC1 Q57892 [0,0,0,0,0,1|1,0,1]=3 588 B10R1.18 O=C(O)CC1C=CCCC1 P45691 [0,0,0,0,0,1|0,0,2]=3 589 B10R1.18 O=C(O)CC1CCCCN1 P40091 [0,0,0,0,0,1|1,0,0]=2 590 B10R1.18 O=C(O)CC1CCCNC1 G-6774 [0,0,0,0,0,1|1,0,0]=2 591 B10R1.18 O=C(O)CC1CCNCC1 G-6012 [0,0,0,0,0,1|1,0,0]=2 592 B10R1.18 O=C(O)CC1CCOCC1 C-3268 [0,0,0,0,0,1|1,0,0]=2 593 B10R1.18 O=C(O)CC1CCSCC1 Q56854 [0,0,0,0,0,1|1,0,0]=2 594 B10R1.18 O=C(O)CC1CNCCO1 B-1199 [0,0,0,0,0,1|2,0,0]=3 595 B10R1.18 O=C(O)CC1COCCN1 O28132 [0,0,0,0,0,1|2,0,0]=3 596 B10R1.18 O=C(O)CC1COCCO1 I-9074 [0,0,0,0,0,1|2,0,0]=3 597 B10R1.18 O=C(O)CN1CCCCC1 10063 [0,0,0,0,0,1|1,0,0]=2 598 B10R1.18 O=C(O)CN1CCNCC1 O30343 [0,0,0,0,0,1|2,0,0]=3 599 B10R1.18 O=C(O)CN1CCOCC1 10061 [0,0,0,0,0,1|2,0,0]=3 600 B10R1.18 O=C(O)C[C@@H]1CNCCO1 B-1197 [0,0,0,0,0,1|2,0,0]=3 601 B10R1.18 O=C(O)C[C@@H]1COCCN1 B-1135 [0,0,0,0,0,1|2,0,0]=3 602 B10R1.18 O=C(O)C[C@H]1CNCCO1 B-1198 [0,0,0,0,0,1|2,0,0]=3 603 B10R1.18 O=C(O)C[C@H]1COCCN1 B-1136 [0,0,0,0,0,1|2,0,0]=3 604 B10R1.348 O=C(O)C1CCCNCC1 C-2768 [0,0,0,0,0,1|0,0,0]=1 605 B10R1.348 O=C(O)[C@@H]1CCCCCN1 Q62626 [0,0,0,0,0,1|0,0,0]=1 606 B10R1.348 O=C(O)[C@H]1CCCCCN1 Q62627 [0,0,0,0,0,1|0,0,0]=1 607 B7R0.1 O=CCCCCCCl O30105 [1,0,1,0,0,0|1,0,0]=3 608 B7R0.4 COCCCC(=O)O P39031 [1,0,1,0,0,0|1,0,0]=3 609 B7R0.4 NCCNCC(=O)O O28634 [1,0,1,0,0,0|2,0,0]=4 610 B7R0.4 NCCOCC(=O)O P35961 [1,0,1,0,0,0|2,0,0]=4 611 B7R0.3 CCCC[C@@H](N)CO P35979 [1,0,1,0,0,0|1,0,1]=4 612 B7R0.3 CCCC[C@H](N)CO P35978 [1,0,1,0,0,0|1,0,1]=4 613 B7R0.5 CCC[C@H](O)C(=O)O P51274 [1,0,1,0,0,0|1,0,0]=3 614 B7R0.5 CCNC(C)C(=O)O P36832 [1,0,1,0,0,0|1,0,0]=3 615 B7R0.5 CCN[C@@H](C)C(=O)O P36816 [1,0,1,0,0,0|1,0,0]=3 616 B7R0.5 CCN[C@H](C)C(=O)O P35138 [1,0,1,0,0,0|1,0,0]=3 617 B7R0.5 COC[C@@H](N)C(=O)O P35719 [1,0,1,0,0,0|2,0,0]=4 618 B7R0.5 COC[C@H](N)C(=O)O P38808 [1,0,1,0,0,0|2,0,0]=4 619 B7R0.5 N[C@@H](CCBr)C(=O)O P41033 [1,0,1,0,0,0|2,0,0]=4 620 B7R0.5 N[C@@H](CCS)C(=O)O A-694 [1,0,1,0,0,0|2,0,0]=4 621 B7R0.15 CCC(NC)C(=O)O P42253 [1,0,1,0,0,0|1,0,0]=3 622 B7R0.15 NC[C@@H](CO)C(=O)O Q69031 [1,0,1,0,0,0|2,0,0]=4 623 B7R0.15 NC[C@@H](CO)C(=O)O Q69034 [1,0,1,0,0,0|2,0,0]=4 624 B7R0.15 NC[C@H](CO)C(=O)O Q69035 [1,0,1,0,0,0|2,0,0]=4 625 B7R0.15 NC[C@H](CO)C(=O)O Q69038 [1,0,1,0,0,0|2,0,0]=4 626 B7R1.3 BrC1CCCNC1 H-8368 [2,0,0,0,0,0|2,0,0]=4 627 B7R1.3 BrC1CCCOC1 O33555 [2,0,0,0,0,0|2,0,0]=4 628 B7R1.3 BrC1CCOCC1 C-3420 [2,0,0,0,0,0|2,0,0]=4 629 B7R1.3 C=C1CCCNC1 Q59836 [2,0,0,0,0,0|1,0,1]=4 630 B7R1.3 C=C1CCCOC1 Q54979 [2,0,0,0,0,0|1,0,1]=4 631 B7R1.3 C=C1CCNCC1 H-8338 [2,0,0,0,0,0|1,0,1]=4 632 B7R1.3 C=C1CCNCC1 Q55164 [2,0,0,0,0,0|1,0,1]=4 633 B7R1.3 C=C1CCOCC1 L13714 [2,0,0,0,0,0|1,0,1]=4 634 B7R1.3 C[C@@H]1CCCCN1 P40572 [2,0,0,0,0,0|1,0,1]=4 635 B7R1.3 C[C@@H]1CCCNC1 Q55825 [2,0,0,0,0,0|1,0,1]=4 636 B7R1.3 C[C@H]1CCCCN1 P38855 [2,0,0,0,0,0|1,0,1]=4 637 B7R1.3 C[C@H]1CCCCN1 Q54716 [2,0,0,0,0,0|1,0,1]=4 638 B7R1.3 C[C@H]1CCCNC1 Q55824 [2,0,0,0,0,0|1,0,1]=4 639 B7R1.3 ClC1CCCOC1 Q57646 [2,0,0,0,0,0|2,0,0]=4 640 B7R1.3 FC1CCCNC1 C-2254 [2,0,0,0,0,0|2,0,0]=4 641 B7R1.3 F[C@@H]1CCCNC1 G-5231 [2,0,0,0,0,0|2,0,0]=4 642 B7R1.3 F[C@H]1CCCNC1 C-2765 [2,0,0,0,0,0|2,0,0]=4 643 B7R1.3 IC1CCOCC1 C-3266 [2,0,0,0,0,0|2,0,0]=4 644 B7R1.3 NC1CCCOC1 I-9177 [2,0,0,0,0,0|2,0,0]=4 645 B7R1.3 NC1CCCOC1 Q56350 [2,0,0,0,0,0|2,0,0]=4 646 B7R1.3 NC1CCOCC1 B-1768 [2,0,0,0,0,0|2,0,0]=4 647 B7R1.3 NC1CCOCC1 G-5110 [2,0,0,0,0,0|2,0,0]=4 648 B7R1.3 NC1CCSCC1 O33298 [2,0,0,0,0,0|2,0,0]=4 649 B7R1.3 N[C@@H]1CCCNC1 I-9160 [2,0,0,0,0,0|2,0,0]=4 650 B7R1.3 N[C@@H]1CCCOC1 I-9746 [2,0,0,0,0,0|2,0,0]=4 651 B7R1.3 O=C1CCCNC1 A-184 [2,0,0,0,0,0|1,0,1]=4 652 B7R1.3 O=C1CCCOC1 G-6070 [2,0,0,0,0,0|1,0,1]=4 653 B7R1.3 O=C1CCCSC1 G-5937 [2,0,0,0,0,0|1,0,1]=4 654 B7R1.3 O=C1CCOCC1 B-1770 [2,0,0,0,0,0|1,0,1]=4 655 B7R1.3 O=C1CCSCC1 C-2949 [2,0,0,0,0,0|1,0,1]=4 656 B7R1.3 OC1CCCOC1 G-6220 [2,0,0,0,0,0|1,0,0]=3 657 B7R1.3 OC1CCNCC1 Q52555 [2,0,0,0,0,0|1,0,0]=3 658 B7R1.3 OC1CCOCC1 B-1769 [2,0,0,0,0,0|1,0,0]=3 659 B7R1.3 OC1CCSCC1 Q69934 [2,0,0,0,0,0|1,0,0]=3 660 B7R1.3 O[C@@H]1CCCNC1 K12060 [2,0,0,0,0,0|1,0,0]=3 661 B7R1.3 O[C@@H]1CCCOC1 P44487 [2,0,0,0,0,0|1,0,0]=3 662 B7R1.3 O[C@H]1CCCNC1 K12075 [2,0,0,0,0,0|1,0,0]=3 663 B7R1.3 O[C@H]1CCCNC1 L13549 [2,0,0,0,0,0|1,0,0]=3 664 B7R1.3 O[C@H]1CCCOC1 P51230 [2,0,0,0,0,0|1,0,0]=3 665 B7R1.3 SC1CCCNC1 L21541 [2,0,0,0,0,0|1,1,0]=4 666 B7R1.3 SC1CCCOC1 Q57701 [2,0,0,0,0,0|1,1,0]=4 667 B7R1.3 SC1CCNCC1 I-9049 [2,0,0,0,0,0|1,1,0]=4 668 B9R0.2 CCCCCCCB(O)O N24230 [0,1,1,0,0,0|1,0,1]=4 669 B9R0.2 CNCCCCCC(=O)O P42203 [0,1,1,0,0,0|0,0,0]=2 670 B9R0.2 COCCOCCC(=O)O P41094 [0,1,1,0,0,0|1,0,0]=3 671 B9R0.2 O=C(O)CCCCCCBr P38930 [0,1,1,0,0,0|0,0,0]=2 672 B9R0.2 [N-]=[N+]=NCCCCC(=O)O P36012 [0,1,1,0,0,0|2,0,0]=4 673 B9R0.4 COCCN(C)CC(=O)O M23136 [0,1,1,0,0,0|2,0,0]=4 674 B9R0.4 CSCC[C@@H](N)CC(=O)O Q68976 [0,1,1,0,0,0|1,0,0]=3 675 B9R0.4 CSCC[C@@H](N)CC(=O)O Q68979 [0,1,1,0,0,0|1,0,0]=3 676 B9R0.4 CSCC[C@H](N)CC(=O)O Q69001 [0,1,1,0,0,0|1,0,0]=3 677 B9R0.38 CCCCCCS(N)(=O)=O Q66039 [0,1,1,0,0,0|1,0,1]=4 678 B9R0.47 C=CCCC[C@@H](N)C(=O)O P42940 [0,1,1,0,0,0|0,0,2]=4 679 B9R0.47 C=CCCC[C@H](N)C(=O)O P40720 [0,1,1,0,0,0|0,0,2]=4 680 B9R0.47 CCCCCC(N)C(=O)O P42626 [0,1,1,0,0,0|0,0,0]=2 681 B9R0.47 CCCCC[C@@H](N)C(=O)O P38033 [0,1,1,0,0,0|0,0,0]=2 682 B9R0.47 CCCCC[C@H](N)C(=O)O P38032 [0,1,1,0,0,0|0,0,0]=2 683 B9R0.47 N[C@@H](CCCCO)C(=O)O P37153 [0,1,1,0,0,0|1,0,0]=3 684 B9R0.55 CN(C)CCCCC(=O)O P35297 [0,1,1,0,0,0|1,0,0]=3 685 B9R0.7 CC(C)CC[C@@H](N)C(=O)O P41429 [0,1,1,0,0,0|1,0,0]=3 686 B9R0.7 CC(C)CC[C@H](N)C(=O)O M22613 [0,1,1,0,0,0|1,0,0]=3 687 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O O28917 [0,1,1,0,0,0|2,0,0]=4 688 B9R0.8 CCCCC(N)C(=O)OC M23165 [0,1,1,0,0,0|1,0,0]=3 689 B9R0.13 CN[C@@H](CCSC)C(=O)O P38126 [0,1,1,0,0,0|1,0,0]=3 690 B9R0.13 CN[C@H](CCSC)C(=O)O P37630 [0,1,1,0,0,0|1,0,0]=3 691 B9R0.42 COC(=O)C[C@@H](C)C(=O)O Q69087 [0,1,1,0,0,0|1,0,1]=4 692 B9R0.42 COC(=O)C[C@H](C)C(=O)O Q69083 [0,1,1,0,0,0|1,0,1]=4 693 B9R0.39 CC(C)CC(CN)C(=O)O P43094 [0,1,1,0,0,0|1,0,0]=3 694 B9R0.39 CC(C)C[C@@H](CN)C(=O)O Q69039 [0,1,1,0,0,0|1,0,0]=3 695 B9R0.39 CC(C)C[C@@H](CN)C(=O)O Q69042 [0,1,1,0,0,0|1,0,0]=3 696 B9R0.39 CC(C)C[C@H](CN)C(=O)O Q69043 [0,1,1,0,0,0|1,0,0]=3 697 B9R0.39 CC(C)C[C@H](CN)C(=O)O Q69046 [0,1,1,0,0,0|1,0,0]=3 698 B9R0.39 CC[C@@H](NC(C)=O)C(=O)O P38688 [0,1,1,0,0,0|1,0,1]=4 699 B9R0.39 CN[C@@H](CC(C)C)C(=O)O P36732 [0,1,1,0,0,0|1,0,0]=3 700 B9R0.39 CN[C@H](CC(C)C)C(=O)O F-4647 [0,1,1,0,0,0|1,0,0]=3 701 B9R1.1 C#CC1CCC(N)CC1 P47049 [1,1,0,0,0,0|1,0,1]=4 702 B9R1.1 C#C[C@H]1CC[C@@H](N)CC1 P50490 [1,1,0,0,0,0|1,0,1]=4 703 B9R1.1 C#C[C@H]1CC[C@H](N)CC1 P46268 [1,1,0,0,0,0|1,0,1]=4 704 B9R1.1 C#C[C@H]1CC[C@H](O)CC1 P48697 [1,1,0,0,0,0|1,0,1]=4 705 B9R1.1 CC1CCC(CN)CC1 P38698 [1,1,0,0,0,0|1,0,1]=4 706 B9R1.1 CC1CCC(CO)CN1 L14235 [1,1,0,0,0,0|1,0,1]=4 707 B9R1.1 CCC1CCC(Br)CC1 Q59703 [1,1,0,0,0,0|1,0,1]=4 708 B9R1.1 CN1CCC(C=O)CC1 B-1284 [1,1,0,0,0,0|1,0,0]=3 709 B9R1.1 CN1CCC(C=O)CC1 Q60235 [1,1,0,0,0,0|1,0,0]=3 710 B9R1.1 CN1CCC(CO)CC1 B-1283 [1,1,0,0,0,0|1,0,1]=4 711 B9R1.1 CN[C@H]1CC[C@@H](F)CC1 P45485 [1,1,0,0,0,0|2,0,0]=4 712 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 I-9002 [1,1,0,0,0,0|2,0,0]=4 713 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 P44754 [1,1,0,0,0,0|2,0,0]=4 714 B9R1.1 CN[C@H]1CC[C@H](O)CC1 I-9003 [1,1,0,0,0,0|2,0,0]=4 715 B9R1.1 CN[C@H]1CC[C@H](O)CC1 P44840 [1,1,0,0,0,0|2,0,0]=4 716 B9R1.1 COC1CCC(O)CC1 P40387 [1,1,0,0,0,0|2,0,0]=4 717 B9R1.1 CO[C@H]1CC[C@H](N)CC1 O33520 [1,1,0,0,0,0|2,0,0]=4 718 B9R1.1 CO[C@H]1CC[C@H](N)CC1 P37077 [1,1,0,0,0,0|2,0,0]=4 719 B9R1.1 C[C@@H]1CC[C@@H](CO)CN1 Q56765 [1,1,0,0,0,0|1,0,1]=4 720 B9R1.1 C[C@H]1CC[C@@H](CBr)CC1 P45176 [1,1,0,0,0,0|1,0,1]=4 721 B9R1.1 C[C@H]1CC[C@@H](CO)CC1 P45661 [1,1,0,0,0,0|0,0,1]=3 722 B9R1.1 C[C@H]1CC[C@@H](CO)CN1 L18205 [1,1,0,0,0,0|1,0,1]=4 723 B9R1.1 C[C@H]1CC[C@@H](CO)CN1 Q65134 [1,1,0,0,0,0|1,0,1]=4 724 B9R1.1 C[C@H]1CC[C@@H](CO)CN1 Q65135 [1,1,0,0,0,0|1,0,1]=4 725 B9R1.1 N#C[C@H]1CC[C@H](N)CC1 P45006 [1,1,0,0,0,0|1,0,1]=4 726 B9R1.1 NC1CCC(CO)CC1 P44916 [1,1,0,0,0,0|0,0,1]=3 727 B9R1.1 NCC1CCC(F)CC1 P48389 [1,1,0,0,0,0|1,0,1]=4 728 B9R1.1 NCC1CCC(F)CC1 P48983 [1,1,0,0,0,0|1,0,1]=4 729 B9R1.1 NCC1CCC(N)CC1 Q59770 [1,1,0,0,0,0|1,0,1]=4 730 B9R1.1 NCC1CCC(O)CC1 P34700 [1,1,0,0,0,0|1,0,1]=4 731 B9R1.1 NCC1CCC(O)CC1 P47419 [1,1,0,0,0,0|1,0,1]=4 732 B9R1.1 NC[C@H]1CC[C@@H](F)CC1 P47139 [1,1,0,0,0,0|1,0,1]=4 733 B9R1.1 NC[C@H]1CC[C@@H](O)CC1 L21269 [1,1,0,0,0,0|1,0,1]=4 734 B9R1.1 NC[C@H]1CC[C@@H](O)CC1 P45002 [1,1,0,0,0,0|1,0,1]=4 735 B9R1.1 NC[C@H]1CC[C@H](F)CC1 P47115 [1,1,0,0,0,0|1,0,1]=4 736 B9R1.1 NC[C@H]1CC[C@H](O)CC1 I-9344 [1,1,0,0,0,0|1,0,1]=4 737 B9R1.1 NC[C@H]1CC[C@H](O)CC1 Q52032 [1,1,0,0,0,0|1,0,1]=4 738 B9R1.1 N[C@H]1CC[C@@H](CO)CC1 G-6713 [1,1,0,0,0,0|0,0,1]=3 739 B9R1.1 N[C@H]1CC[C@@H](CO)CC1 P44180 [1,1,0,0,0,0|0,0,1]=3 740 B9R1.1 N[C@H]1CC[C@H](CF)CC1 P47760 [1,1,0,0,0,0|1,0,1]=4 741 B9R1.1 N[C@H]1CC[C@H](CO)CC1 G-6714 [1,1,0,0,0,0|0,0,1]=3 742 B9R1.1 N[C@H]1CC[C@H](CO)CC1 P44327 [1,1,0,0,0,0|0,0,1]=3 743 B9R1.1 O=C1CCC(CO)CC1 O32541 [1,1,0,0,0,0|0,0,2]=4 744 B9R1.1 O=CC1CC=C(Cl)CC1 10585 [1,1,0,0,0,0|0,0,2]=4 745 B9R1.1 O=C[C@H]1CC[C@H](F)CC1 S72521 [1,1,0,0,0,0|0,0,0]=2 746 B9R1.1 O=C[C@H]1CC[C@H](O)CC1 P48925 [1,1,0,0,0,0|0,0,0]=2 747 B9R1.1 OCC1CCC(O)CC1 P45738 [1,1,0,0,0,0|0,0,1]=3 748 B9R1.1 OC[C@H]1CC[C@@H](F)CC1 P47182 [1,1,0,0,0,0|0,0,1]=3 749 B9R1.1 OC[C@H]1CC[C@@H](O)CC1 P45690 [1,1,0,0,0,0|0,0,1]=3 750 B9R1.1 OC[C@H]1CC[C@H](F)CC1 P47209 [1,1,0,0,0,0|0,0,1]=3 751 B9R1.1 OC[C@H]1CC[C@H](O)CC1 P45689 [1,1,0,0,0,0|0,0,1]=3 752 B9R1.2 C=CC1CCCC(=O)C1 P47289 [1,1,0,0,0,0|1,0,1]=4 753 B9R1.2 CC1CC(CO)CCO1 Q57696 [1,1,0,0,0,0|1,0,1]=4 754 B9R1.2 CC1CCCC(C=O)C1 Q59550 [1,1,0,0,0,0|0,0,0]=2 755 B9R1.2 CC1CCCC(CBr)C1 Q59544 [1,1,0,0,0,0|1,0,1]=4 756 B9R1.2 CC1CCCC(CO)C1 Q59549 [1,1,0,0,0,0|0,0,1]=3 757 B9R1.2 CC1CCCC(CO)N1 F-4721 [1,1,0,0,0,0|1,0,1]=4 758 B9R1.2 CC1CCCC(NN)C1 L20937 [1,1,0,0,0,0|2,0,0]=4 759 B9R1.2 CC1CCCC(NN)C1 Q59504 [1,1,0,0,0,0|2,0,0]=4 760 B9R1.2 CN1CCCC(C=O)C1 S72464 [1,1,0,0,0,0|1,0,0]=3 761 B9R1.2 CN1CCC[C@@H](CO)C1 L14188 [1,1,0,0,0,0|1,0,1]=4 762 B9R1.2 CN1CCC[C@H](CO)C1 Q54917 [1,1,0,0,0,0|1,0,1]=4 763 B9R1.2 COC1CCCC(O)C1 L21478 [1,1,0,0,0,0|2,0,0]=4 764 B9R1.2 CO[C@@H]1CCC[C@@H](N)C1 P49873 [1,1,0,0,0,0|2,0,0]=4 765 B9R1.2 CO[C@@H]1CCC[C@@H](O)C1 P46941 [1,1,0,0,0,0|2,0,0]=4 766 B9R1.2 CO[C@@H]1CCC[C@H](O)C1 P46930 [1,1,0,0,0,0|2,0,0]=4 767 B9R1.2 CO[C@@H]1CCC[C@H](O)C1 P47713 [1,1,0,0,0,0|2,0,0]=4 768 B9R1.2 CO[C@H]1CCC[C@@H](O)C1 P46929 [1,1,0,0,0,0|2,0,0]=4 769 B9R1.2 CO[C@H]1CCC[C@H](O)C1 P45107 [1,1,0,0,0,0|2,0,0]=4 770 B9R1.2 CO[C@H]1CCC[C@H](O)C1 P46656 [1,1,0,0,0,0|2,0,0]=4 771 B9R1.2 C[C@H]1CCOC(C=O)C1 Q57858 [1,1,0,0,0,0|1,0,0]=3 772 B9R1.2 C[C@H]1C[C@@H](CO)CCN1 Q61114 [1,1,0,0,0,0|1,0,1]=4 773 B9R1.2 NC1CCOC(CO)C1 Q54643 [1,1,0,0,0,0|1,0,1]=4 774 B9R1.2 NCC1CCCC(O)C1 P49691 [1,1,0,0,0,0|1,0,1]=4 775 B9R1.2 N[C@@H]1CCC[C@@H](CO)C1 P48428 [1,1,0,0,0,0|0,0,1]=3 776 B9R1.2 N[C@@H]1CCO[C@H](CO)C1 Q54644 [1,1,0,0,0,0|1,0,1]=4 777 B9R1.2 N[C@H]1CCO[C@@H](CO)C1 Q54645 [1,1,0,0,0,0|1,0,1]=4 778 B9R1.2 N[C@H]1CCO[C@H](CO)C1 Q54646 [1,1,0,0,0,0|1,0,1]=4 779 B9R1.2 OCC1CNCC(F)C1 Q61297 [1,1,0,0,0,0|1,0,1]=4 780 B9R1.8 BrCCC1CCCCC1 P40749 [1,1,0,0,0,0|1,0,1]=4 781 B9R1.8 CNCC1CCCCC1 P39298 [1,1,0,0,0,0|1,0,1]=4 782 B9R1.8 CNCC1CCCCC1 Q59474 [1,1,0,0,0,0|1,0,1]=4 783 B9R1.8 COCC1CCCCN1 O28609 [1,1,0,0,0,0|1,0,1]=4 784 B9R1.8 COCC1CCCCN1 Q60043 [1,1,0,0,0,0|1,0,1]=4 785 B9R1.8 COCC1CCCNC1 O28836 [1,1,0,0,0,0|1,0,1]=4 786 B9R1.8 COCC1CCNCC1 L21390 [1,1,0,0,0,0|1,0,1]=4 787 B9R1.8 COC[C@@H]1CCCNC1 P35700 [1,1,0,0,0,0|1,0,1]=4 788 B9R1.8 COC[C@H]1CCCNC1 P35650 [1,1,0,0,0,0|1,0,1]=4 789 B9R1.8 N#CC=C1CCCCC1 P44414 [1,1,0,0,0,0|1,0,1]=4 790 B9R1.8 N#CCC1CCCCC1 P38061 [1,1,0,0,0,0|1,0,1]=4 791 B9R1.8 NCCC1CCCCC1 P34723 [1,1,0,0,0,0|1,0,1]=4 792 B9R1.8 NNCC1CCCCC1 P44365 [1,1,0,0,0,0|1,0,1]=4 793 B9R1.8 O=C=NC1CCCOC1 Q57635 [1,1,0,0,0,0|1,0,1]=4 794 B9R1.8 O=C=NC1CCOCC1 Q57613 [1,1,0,0,0,0|1,0,1]=4 795 B9R1.8 O=CC=C1CCCCC1 Q59548 [1,1,0,0,0,0|0,0,1]=3 796 B9R1.8 O=CCC1CCCCC1 P34717 [1,1,0,0,0,0|0,0,0]=2 797 B9R1.8 O=CCC1CCCOC1 Q60383 [1,1,0,0,0,0|1,0,0]=3 798 B9R1.8 O=CCC1CCOCC1 O30688 [1,1,0,0,0,0|1,0,0]=3 799 B9R1.8 O=CCN1CCCCC1 P37973 [1,1,0,0,0,0|1,0,0]=3 800 B9R1.8 O=CCN1CCOCC1 P39647 [1,1,0,0,0,0|2,0,0]=4 801 B9R1.8 OCCC1CCCCC1 P44676 [1,1,0,0,0,0|0,0,1]=3 802 B9R1.8 OCCC1CCCCO1 P38380 [1,1,0,0,0,0|1,0,1]=4 803 B9R1.8 OCCC1CCCNC1 P36369 [1,1,0,0,0,0|1,0,1]=4 804 B9R1.8 OCCC1CCNCC1 P45391 [1,1,0,0,0,0|1,0,1]=4 805 B9R1.8 OCCC1CCOCC1 C-3414 [1,1,0,0,0,0|1,0,1]=4 806 B9R1.8 OCCC1CCSCC1 Q56857 [1,1,0,0,0,0|1,0,1]=4 807 B9R1.8 OCC[C@@H]1CCCCN1 O33566 [1,1,0,0,0,0|1,0,1]=4 808 B9R1.8 OCC[C@@H]1CCCCO1 Q53045 [1,1,0,0,0,0|1,0,1]=4 809 B9R1.8 [N-]=[N+]=NC1CCCCC1 P40097 [1,1,0,0,0,0|2,0,0]=4 810 B9R1.15 C#CC1CCCCC1O P45431 [1,1,0,0,0,0|1,0,1]=4 811 B9R1.15 C#C[C@@H]1CCCC[C@@H]1O P45395 [1,1,0,0,0,0|1,0,1]=4 812 B9R1.15 C#C[C@@H]1CCCC[C@H]1O P45477 [1,1,0,0,0,0|1,0,1]=4 813 B9R1.15 C#C[C@H]1CCCC[C@H]1O P46632 [1,1,0,0,0,0|1,0,1]=4 814 B9R1.15 CC1CCCCC1NN L20777 [1,1,0,0,0,0|2,0,0]=4 815 B9R1.15 CN1CCCCC1C=O Q60366 [1,1,0,0,0,0|1,0,0]=3 816 B9R1.15 CN[C@@H]1CCCC[C@@H]1C P45885 [1,1,0,0,0,0|2,0,0]=4 817 B9R1.15 COC1CCCCC1N P45618 [1,1,0,0,0,0|2,0,0]=4 818 B9R1.15 CO[C@@H]1CCCC[C@@H]1N P45281 [1,1,0,0,0,0|2,0,0]=4 819 B9R1.15 CO[C@@H]1CCCC[C@@H]1N P48339 [1,1,0,0,0,0|2,0,0]=4 820 B9R1.15 CO[C@@H]1CCCC[C@H]1N P45280 [1,1,0,0,0,0|2,0,0]=4 821 B9R1.15 CO[C@@H]1CCCC[C@H]1N P48092 [1,1,0,0,0,0|2,0,0]=4 822 B9R1.15 CO[C@H]1CCCC[C@@H]1N P47400 [1,1,0,0,0,0|2,0,0]=4 823 B9R1.15 CO[C@H]1CCCC[C@H]1N P45253 [1,1,0,0,0,0|2,0,0]=4 824 B9R1.15 N#CC1CCCCC1N P45434 [1,1,0,0,0,0|1,0,1]=4 825 B9R1.15 N#C[C@@H]1CCCC[C@@H]1N P45004 [1,1,0,0,0,0|1,0,1]=4 826 B9R1.15 N#C[C@@H]1CCCC[C@H]1N P49755 [1,1,0,0,0,0|1,0,1]=4 827 B9R1.15 N#C[C@@H]1CCCC[C@H]1O P45379 [1,1,0,0,0,0|1,0,1]=4 828 B9R1.15 N#C[C@H]1CCCC[C@@H]1N P46807 [1,1,0,0,0,0|1,0,1]=4 829 B9R1.15 N#C[C@H]1CCCC[C@H]1N P49756 [1,1,0,0,0,0|1,0,1]=4 830 B9R1.15 NC1CCOCC1CO Q52799 [1,1,0,0,0,0|1,0,1]=4 831 B9R1.15 NC[C@@H]1CCCC[C@H]1O P45462 [1,1,0,0,0,0|1,0,1]=4 832 B9R1.15 NC[C@H]1CCCC[C@H]1N Q59475 [1,1,0,0,0,0|1,0,1]=4 833 B9R1.15 N[C@@H]1CCCC[C@H]1CO P44649 [1,1,0,0,0,0|0,0,1]=3 834 B9R1.15 N[C@@H]1CCCC[C@H]1CO P45460 [1,1,0,0,0,0|0,0,1]=3 835 B9R1.15 N[C@H]1CCCC[C@H]1CO P46191 [1,1,0,0,0,0|0,0,1]=3 836 B9R1.15 O=CC1CCCCC1=O P49435 [1,1,0,0,0,0|0,0,1]=3 837 B9R1.15 OCC1CCOCC1F Q64457 [1,1,0,0,0,0|1,0,1]=4 838 B9R1.15 OCC1CCOCC1O Q54635 [1,1,0,0,0,0|1,0,1]=4 839 B9R1.15 OC[C@@H]1CCNC[C@@H]1F M23404 [1,1,0,0,0,0|1,0,1]=4 840 B9R1.15 OC[C@@H]1CCNC[C@@H]1F Q65308 [1,1,0,0,0,0|1,0,1]=4 841 B9R1.15 OC[C@@H]1CCNC[C@@H]1O I-9940 [1,1,0,0,0,0|1,0,1]=4 842 B9R1.15 OC[C@@H]1CCNC[C@@H]1O O33285 [1,1,0,0,0,0|1,0,1]=4 843 B9R1.15 OC[C@@H]1CCNC[C@H]1F Q65310 [1,1,0,0,0,0|1,0,1]=4 844 B9R1.15 OC[C@@H]1CCOC[C@@H]1F Q64458 [1,1,0,0,0,0|1,0,1]=4 845 B9R1.15 OC[C@@H]1CCOC[C@H]1F Q64459 [1,1,0,0,0,0|1,0,1]=4 846 B9R1.15 OC[C@H]1CCNC[C@@H]1F Q65236 [1,1,0,0,0,0|1,0,1]=4 847 B9R1.15 OC[C@H]1CCNC[C@@H]1F Q65309 [1,1,0,0,0,0|1,0,1]=4 848 B9R1.15 OC[C@H]1CCNC[C@@H]1O P44729 [1,1,0,0,0,0|1,0,1]=4 849 B9R1.15 OC[C@H]1CCNC[C@H]1F G-7747 [1,1,0,0,0,0|1,0,1]=4 850 B9R1.15 OC[C@H]1CCOC[C@@H]1O Q54636 [1,1,0,0,0,0|1,0,1]=4 851 B9R1.15 OC[C@H]1CNCC[C@@H]1O Q65207 [1,1,0,0,0,0|1,0,1]=4 852 B9R1.15 OC[C@H]1NCCC[C@@H]1O Q53227 [1,1,0,0,0,0|1,0,1]=4 853 B9R1.118 CC1(C=O)CCCCC1 O31789 [1,1,0,0,0,0|0,0,0]=2 854 B9R1.118 CC1(C=O)CCOCC1 H-8874 [1,1,0,0,0,0|1,0,0]=3 855 B9R1.118 CC1(CBr)CCCCC1 Q59533 [1,1,0,0,0,0|1,0,1]=4 856 B9R1.118 CC1(CO)CCCCC1 P41365 [1,1,0,0,0,0|0,0,1]=3 857 B9R1.118 CC1(CO)CCCNC1 C-2935 [1,1,0,0,0,0|1,0,1]=4 858 B9R1.118 CC1(CO)CCNCC1 G-6160 [1,1,0,0,0,0|1,0,1]=4 859 B9R1.118 CC1(CO)CCSCC1 Q61456 [1,1,0,0,0,0|1,0,1]=4 860 B9R1.118 CCC1(N)CCCCC1 Q59746 [1,1,0,0,0,0|1,0,1]=4 861 B9R1.118 C[C@@]1(CO)CCCNC1 Q56833 [1,1,0,0,0,0|1,0,1]=4 862 B9R1.118 C[C@]1(CO)CCCNC1 Q56832 [1,1,0,0,0,0|1,0,1]=4 863 B9R1.118 NC1(CO)CCCCC1 P37508 [1,1,0,0,0,0|0,0,1]=3 864 B9R1.118 NC1(CO)CCNCC1 Q52607 [1,1,0,0,0,0|1,0,1]=4 865 B9R1.118 NC1(CO)CCNCC1 Q52608 [1,1,0,0,0,0|1,0,1]=4 866 B9R1.118 NC1(CO)CCOCC1 G-6353 [1,1,0,0,0,0|1,0,1]=4 867 B9R1.118 NC1(CO)CCOCC1 G-7270 [1,1,0,0,0,0|1,0,1]=4 868 B9R1.118 NC1(CO)CCSCC1 Q57923 [1,1,0,0,0,0|1,0,1]=4 869 B9R1.118 NC1(CO)CCSCC1 Q57924 [1,1,0,0,0,0|1,0,1]=4 870 B9R1.118 OC1(CBr)CCCCC1 L20240 [1,1,0,0,0,0|1,0,1]=4 871 B9R1.118 OCC1(Cl)CCOCC1 Q64452 [1,1,0,0,0,0|1,0,1]=4 872 B9R1.118 OCC1(F)CCCCC1 P49673 [1,1,0,0,0,0|0,0,1]=3 873 B9R1.118 OCC1(F)CCCOC1 Q52411 [1,1,0,0,0,0|1,0,1]=4 874 B9R1.118 OCC1(F)CCNCC1 G-5484 [1,1,0,0,0,0|1,0,1]=4 875 B9R1.118 OCC1(F)CCNCC1 Q69957 [1,1,0,0,0,0|1,0,1]=4 876 B9R1.118 OCC1(F)CCOCC1 G-6354 [1,1,0,0,0,0|1,0,1]=4 877 B9R1.118 OCC1(O)CCCNC1 G-6425 [1,1,0,0,0,0|1,0,1]=4 878 B9R1.118 OCC1(O)CCNCC1 C-2422 [1,1,0,0,0,0|1,0,1]=4 879 B9R1.118 OCC1(O)CCOCC1 Q64448 [1,1,0,0,0,0|1,0,1]=4 880 B9R1.118 OC[C@@]1(F)CCCNC1 Q52744 [1,1,0,0,0,0|1,0,1]=4 881 B9R1.118 OC[C@]1(F)CCCNC1 Q52745 [1,1,0,0,0,0|1,0,1]=4 882 B9R1.11 C#CC(=O)N1CCCC1 L19199 [0,1,0,0,1,0|2,0,0]=4 883 B9R1.11 CNC(=O)C1CCCN1 O28788 [0,1,0,0,1,0|2,0,0]=4 884 B9R1.11 CNC(=O)C1CCNC1 O28288 [0,1,0,0,1,0|2,0,0]=4 885 B9R1.11 CNC(=O)[C@@H]1CCCN1 P38764 [0,1,0,0,1,0|2,0,0]=4 886 B9R1.11 CNC(=O)[C@H]1CCCN1 O28766 [0,1,0,0,1,0|2,0,0]=4 887 B9R1.11 COC(=O)C1CCNC1 G-5251 [0,1,0,0,1,0|1,0,0]=3 888 B9R1.11 COC(=O)C1CCOC1 G-5350 [0,1,0,0,1,0|1,0,0]=3 889 B9R1.11 COC(=O)[C@@H]1CCNC1 G-5253 [0,1,0,0,1,0|1,0,0]=3 890 B9R1.11 COC(=O)[C@@H]1CCNC1 L13624 [0,1,0,0,1,0|1,0,0]=3 891 B9R1.11 COC(=O)[C@@H]1CCOC1 I-9185 [0,1,0,0,1,0|1,0,0]=3 892 B9R1.11 COC(=O)[C@H]1CCNC1 G-5252 [0,1,0,0,1,0|1,0,0]=3 893 B9R1.11 COC(=O)[C@H]1CCNC1 G-6750 [0,1,0,0,1,0|1,0,0]=3 894 B9R1.11 COC(=O)[C@H]1CCOC1 L18447 [0,1,0,0,1,0|1,0,0]=3 895 B9R1.11 NCC(=O)C1CCCC1 L19802 [0,1,0,0,1,0|1,0,0]=3 896 B9R1.11 NCC(=O)N1CCCC1 10067 [0,1,0,0,1,0|2,0,0]=4 897 B9R1.11 NCC(=O)N1CCCC1 P38567 [0,1,0,0,1,0|2,0,0]=4 898 B9R1.11 O=C(NO)C1CCCN1 Q59359 [0,1,0,0,1,0|1,0,0]=3 899 B9R1.19 CC(C)(O)C1CCCC1 P41191 [0,1,0,0,1,0|1,0,1]=4 900 B9R1.19 O=S(=O)(O)C1CCCC1 L14360 [0,1,0,0,1,0|1,0,0]=3 901 B9R1.35 CC(=O)N1CCC(I)C1 Q57221 [0,1,0,0,1,0|2,0,0]=4 902 B9R1.35 CC(=O)N1CCC(N)C1 L14137 [0,1,0,0,1,0|2,0,0]=4 903 B9R1.35 CC(=O)N1CC[C@@H](N)C1 P43139 [0,1,0,0,1,0|2,0,0]=4 904 B9R1.35 CC(=O)N1CC[C@@H](O)C1 G-5907 [0,1,0,0,1,0|2,0,0]=4 905 B9R1.35 CC(=O)N1CC[C@H](N)C1 P43073 [0,1,0,0,1,0|2,0,0]=4 906 B9R1.35 CN1CCC(C(=O)O)C1 O28273 [0,1,0,0,1,0|1,0,0]=3 907 B9R1.35 CN1CCC(C(=O)O)C1 O30600 [0,1,0,0,1,0|1,0,0]=3 908 B9R1.35 CN1CC[C@@H](C(=O)O)C1 G-6130 [0,1,0,0,1,0|1,0,0]=3 909 B9R1.35 CN1CC[C@@H](C(=O)O)C1 G-6130-01 [0,1,0,0,1,0|1,0,0]=3 910 B9R1.35 CN1CC[C@H](C(=O)O)C1 G-6129 [0,1,0,0,1,0|1,0,0]=3 911 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 O32949 [0,1,0,0,1,0|1,0,0]=3 912 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 Q53020 [0,1,0,0,1,0|1,0,0]=3 913 B9R1.35 C[C@@H]1CC[C@H](C(=O)O)N1 Q53019 [0,1,0,0,1,0|1,0,0]=3 914 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 Q52436 [0,1,0,0,1,0|1,0,0]=3 915 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 Q52437 [0,1,0,0,1,0|1,0,0]=3 916 B9R1.35 C[C@H]1CC[C@H](C(=O)O)N1 O32956 [0,1,0,0,1,0|1,0,0]=3 917 B9R1.35 C[C@H]1CN[C@H](C(=O)O)C1 Q52337 [0,1,0,0,1,0|1,0,0]=3 918 B9R1.35 NC(=O)N1CCC(N)C1 Q59176 [0,1,0,0,1,0|2,0,0]=4 919 B9R1.35 NC1CCC(C(=O)O)C1 G-7403 [0,1,0,0,1,0|0,0,0]=2 920 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 10009 [0,1,0,0,1,0|0,0,0]=2 921 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 F-4734 [0,1,0,0,1,0|0,0,0]=2 922 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 L21283 [0,1,0,0,1,0|0,0,0]=2 923 B9R1.35 N[C@@H]1CN[C@@H](C(=O)O)C1 P39234 [0,1,0,0,1,0|1,0,0]=3 924 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 P40794 [0,1,0,0,1,0|1,0,0]=3 925 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 10164 [0,1,0,0,1,0|0,0,0]=2 926 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 P44640 [0,1,0,0,1,0|0,0,0]=2 927 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 L21252 [0,1,0,0,1,0|0,0,0]=2 928 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 Q52275 [0,1,0,0,1,0|0,0,0]=2 929 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 A-335 [0,1,0,0,1,0|1,0,0]=3 930 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 Q61690 [0,1,0,0,1,0|1,0,0]=3 931 B9R1.35 O=C(O)C1CCC(F)C1 Q54410 [0,1,0,0,1,0|0,0,0]=2 932 B9R1.35 O=C(O)C1C[C@H](O)CN1 A-345 [0,1,0,0,1,0|1,0,0]=3 933 B9R1.35 O=C(O)[C@@H]1CC[C@@H](F)C1 Q61734 [0,1,0,0,1,0|0,0,0]=2 934 B9R1.35 O=C(O)[C@@H]1CC[C@@H](F)C1 Q63412 [0,1,0,0,1,0|0,0,0]=2 935 B9R1.35 O=C(O)[C@@H]1CC[C@@H](O)C1 Q63408 [0,1,0,0,1,0|0,0,0]=2 936 B9R1.35 O=C(O)[C@@H]1CC[C@H](F)C1 Q61733 [0,1,0,0,1,0|0,0,0]=2 937 B9R1.35 O=C(O)[C@@H]1CC[C@H](F)C1 Q63414 [0,1,0,0,1,0|0,0,0]=2 938 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 Q63410 [0,1,0,0,1,0|0,0,0]=2 939 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 A-341 [0,1,0,0,1,0|1,0,0]=3 940 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 G-6984 [0,1,0,0,1,0|1,0,0]=3 941 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 A-344 [0,1,0,0,1,0|1,0,0]=3 942 B9R1.35 O=C(O)[C@@H]1C[C@@H](S)CN1 L21815 [0,1,0,0,1,0|1,0,0]=3 943 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 O30697 [0,1,0,0,1,0|1,0,0]=3 944 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 L22413 [0,1,0,0,1,0|1,0,0]=3 945 B9R1.35 O=C(O)[C@H]1CC[C@@H](F)C1 Q63413 [0,1,0,0,1,0|0,0,0]=2 946 B9R1.35 O=C(O)[C@H]1CC[C@@H](O)C1 Q63409 [0,1,0,0,1,0|0,0,0]=2 947 B9R1.35 O=C(O)[C@H]1CC[C@H](F)C1 Q63411 [0,1,0,0,1,0|0,0,0]=2 948 B9R1.35 O=C(O)[C@H]1CC[C@H](O)C1 Q63407 [0,1,0,0,1,0|0,0,0]=2 949 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 H-8063 [0,1,0,0,1,0|1,0,0]=3 950 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 H-8063-01 [0,1,0,0,1,0|1,0,0]=3 951 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 L13532 [0,1,0,0,1,0|1,0,0]=3 952 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 G-7739 [0,1,0,0,1,0|1,0,0]=3 953 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 P41300 [0,1,0,0,1,0|1,0,0]=3 954 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 P44659 [0,1,0,0,1,0|1,0,0]=3 955 B9R1.35 O=C1CC(C(=O)O)CN1 L13527 [0,1,0,0,1,0|1,0,1]=4 956 B9R1.35 O=C1CCC(C(=O)O)C1 G-6041 [0,1,0,0,1,0|0,0,1]=3 957 B9R1.35 O=C1CCC(C(=O)O)S1 I-9617 [0,1,0,0,1,0|1,0,1]=4 958 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 L13054 [0,1,0,0,1,0|0,0,1]=3 959 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 G-7802 [0,1,0,0,1,0|1,0,1]=4 960 B9R1.35 O=C1CC[C@H](C(=O)O)C1 L13053 [0,1,0,0,1,0|0,0,1]=3 961 B9R1.35 O=C1CNC(C(=O)O)C1 L14145 [0,1,0,0,1,0|1,0,1]=4 962 B9R1.35 O=C1C[C@H](C(=O)O)CN1 L14979 [0,1,0,0,1,0|1,0,1]=4 963 B9R1.41 CC1CCNC1C(=O)O Q57359 [0,1,0,0,1,0|1,0,0]=3 964 B9R1.41 CC1CCNC1C(=O)O Q57360 [0,1,0,0,1,0|1,0,0]=3 965 B9R1.41 CC1CNCC1C(=O)O Q59247 [0,1,0,0,1,0|1,0,0]=3 966 B9R1.41 CN1CCCC1C(=O)O M22685 [0,1,0,0,1,0|1,0,0]=3 967 B9R1.41 CN1CCC[C@@H]1C(=O)O P36536 [0,1,0,0,1,0|1,0,0]=3 968 B9R1.41 CN1CCC[C@@H]1C(=O)O P37259 [0,1,0,0,1,0|1,0,0]=3 969 B9R1.41 CN1CCC[C@H]1C(=O)O I-9166 [0,1,0,0,1,0|1,0,0]=3 970 B9R1.41 CN1CCC[C@H]1C(=O)O O28625 [0,1,0,0,1,0|1,0,0]=3 971 B9R1.41 CN1CCC[C@H]1C(=O)O P37937 [0,1,0,0,1,0|1,0,0]=3 972 B9R1.41 C[C@H]1CNC[C@@H]1C(=O)O Q62191 [0,1,0,0,1,0|1,0,0]=3 973 B9R1.41 NC(=O)C1CCCC1N Q59162 [0,1,0,0,1,0|1,0,0]=3 974 B9R1.41 NC(=O)[C@H]1NCC[C@@H]1O O32797 [0,1,0,0,1,0|2,0,0]=4 975 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O Q61718 [0,1,0,0,1,0|0,0,0]=2 976 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O H-8160 [0,1,0,0,1,0|0,0,0]=2 977 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O Q61730 [0,1,0,0,1,0|0,0,0]=2 978 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O Q61731 [0,1,0,0,1,0|0,0,0]=2 979 B9R1.41 N[C@H]1C=CC[C@H]1C(=O)O Q57116 [0,1,0,0,1,0|0,0,2]=4 980 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O H-8161 [0,1,0,0,1,0|0,0,0]=2 981 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O F-4802 [0,1,0,0,1,0|0,0,0]=2 982 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O Q52546 [0,1,0,0,1,0|0,0,0]=2 983 B9R1.41 O=C(O)C1CCCC1O Q59153 [0,1,0,0,1,0|0,0,0]=2 984 B9R1.41 O=C(O)C1CCNC1=O F-4855 [0,1,0,0,1,0|1,0,1]=4 985 B9R1.41 O=C(O)C1CNCC1O H-8825 [0,1,0,0,1,0|1,0,0]=3 986 B9R1.41 O=C(O)C1NCCC1F Q59330 [0,1,0,0,1,0|1,0,0]=3 987 B9R1.41 O=C(O)C1NCC[C@@H]1O F-4332 [0,1,0,0,1,0|1,0,0]=3 988 B9R1.41 O=C(O)[C@@H]1CCC[C@@H]1F Q63425 [0,1,0,0,1,0|0,0,0]=2 989 B9R1.41 O=C(O)[C@@H]1CCC[C@@H]1O Q63421 [0,1,0,0,1,0|0,0,0]=2 990 B9R1.41 O=C(O)[C@@H]1CCC[C@H]1F Q63426 [0,1,0,0,1,0|0,0,0]=2 991 B9R1.41 O=C(O)[C@@H]1CCC[C@H]1O Q63422 [0,1,0,0,1,0|0,0,0]=2 992 B9R1.41 O=C(O)[C@@H]1CCNC1=O Q55035 [0,1,0,0,1,0|1,0,1]=4 993 B9R1.41 O=C(O)[C@@H]1CNC[C@@H]1O H-8824 [0,1,0,0,1,0|1,0,0]=3 994 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1F Q64264 [0,1,0,0,1,0|1,0,0]=3 995 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O I-9988 [0,1,0,0,1,0|1,0,0]=3 996 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O L14329 [0,1,0,0,1,0|1,0,0]=3 997 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O L22341 [0,1,0,0,1,0|1,0,0]=3 998 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F Q64265 [0,1,0,0,1,0|1,0,0]=3 999 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O F-4333 [0,1,0,0,1,0|1,0,0]=3 1000 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O L13193 [0,1,0,0,1,0|1,0,0]=3 1001 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O Q54350 [0,1,0,0,1,0|1,0,0]=3 1002 B9R1.41 O=C(O)[C@H]1CCC[C@@H]1F Q63427 [0,1,0,0,1,0|0,0,0]=2 1003 B9R1.41 O=C(O)[C@H]1CCC[C@@H]1O Q63423 [0,1,0,0,1,0|0,0,0]=2 1004 B9R1.41 O=C(O)[C@H]1CCC[C@H]1F Q63424 [0,1,0,0,1,0|0,0,0]=2 1005 B9R1.41 O=C(O)[C@H]1CCC[C@H]1O Q63420 [0,1,0,0,1,0|0,0,0]=2 1006 B9R1.41 O=C(O)[C@H]1CCNC1=O Q55036 [0,1,0,0,1,0|1,0,1]=4 1007 B9R1.41 O=C(O)[C@H]1CNC[C@@H]1O H-8823 [0,1,0,0,1,0|1,0,0]=3 1008 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F Q64266 [0,1,0,0,1,0|1,0,0]=3 1009 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F Q64267 [0,1,0,0,1,0|1,0,0]=3 1010 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O I-9959 [0,1,0,0,1,0|1,0,0]=3 1011 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O L21735 [0,1,0,0,1,0|1,0,0]=3 1012 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F Q64263 [0,1,0,0,1,0|1,0,0]=3 1013 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O L22366 [0,1,0,0,1,0|1,0,0]=3 1014 B9R1.163 CC1(C(=O)O)CC=CC1 Q53087 [0,1,0,0,1,0|0,0,2]=4 1015 B9R1.163 CC1(C(=O)O)CCCC1 Q61035 [0,1,0,0,1,0|0,0,0]=2 1016 B9R1.163 CC1(C(=O)O)CCCN1 P40785 [0,1,0,0,1,0|1,0,0]=3 1017 B9R1.163 CC1(C(=O)O)CCNC1 P35438 [0,1,0,0,1,0|1,0,0]=3 1018 B9R1.163 CC1(C(=O)O)CCOC1 I-9010 [0,1,0,0,1,0|1,0,0]=3 1019 B9R1.163 C[C@@]1(C(=O)O)CCCN1 G-5500 [0,1,0,0,1,0|1,0,0]=3 1020 B9R1.163 C[C@@]1(C(=O)O)CCCN1 M22903 [0,1,0,0,1,0|1,0,0]=3 1021 B9R1.163 C[C@@]1(C(=O)O)CCNC1 Q61994 [0,1,0,0,1,0|1,0,0]=3 1022 B9R1.163 C[C@]1(C(=O)O)CCCN1 G-6115 [0,1,0,0,1,0|1,0,0]=3 1023 B9R1.163 C[C@]1(C(=O)O)CCNC1 Q61995 [0,1,0,0,1,0|1,0,0]=3 1024 B9R1.163 NC(=S)C1(N)CCCC1 Q59159 [0,1,0,0,1,0|1,1,0]=4 1025 B9R1.163 NC1(C(=O)O)CCNC1 P43160 [0,1,0,0,1,0|1,0,0]=3 1026 B9R1.163 NC1(C(=O)O)CCNC1 P45155 [0,1,0,0,1,0|1,0,0]=3 1027 B9R1.163 NC1(C(=O)O)CCOC1 C-3361 [0,1,0,0,1,0|1,0,0]=3 1028 B9R1.163 N[C@]1(C(=O)O)CCNC1 Q59170 [0,1,0,0,1,0|1,0,0]=3 1029 B9R1.163 O=C(O)C1(F)CCCC1 Q57009 [0,1,0,0,1,0|0,0,0]=2 1030 B9R1.163 O=C(O)C1(F)CCNC1 L21913 [0,1,0,0,1,0|1,0,0]=3 1031 B9R1.163 O=C(O)[C@@]1(F)CCNC1 Q61821 [0,1,0,0,1,0|1,0,0]=3 1032 B9R1.163 O=C(O)[C@@]1(F)CCNC1 Q61822 [0,1,0,0,1,0|1,0,0]=3 1033 B9R1.163 O=C(O)[C@]1(F)CCNC1 Q61819 [0,1,0,0,1,0|1,0,0]=3 1034 B9R1.163 O=C(O)[C@]1(F)CCNC1 Q61820 [0,1,0,0,1,0|1,0,0]=3 1035 B11R1.20 CC(=O)NC1CCC(N)CC1 Q59484 [0,1,0,0,0,1|1,0,0]=3 1036 B11R1.20 CC1CCN(CC(=O)O)CC1 O28922 [0,1,0,0,0,1|1,0,0]=3 1037 B11R1.20 CN1CCC(=CC(=O)O)CC1 P36213 [0,1,0,0,0,1|1,0,1]=4 1038 B11R1.20 CN1CCC(CC(=O)O)CC1 G-5999 [0,1,0,0,0,1|1,0,0]=3 1039 B11R1.20 CN1CCC(CC(=O)O)CC1 O28783 [0,1,0,0,0,1|1,0,0]=3 1040 B11R1.20 C[C@H]1CC[C@H](CC(=O)O)CC1 Q60800 [0,1,0,0,0,1|0,0,0]=2 1041 B11R1.20 NC(=O)NC1CCC(N)CC1 Q59730 [0,1,0,0,0,1|1,0,0]=3 1042 B11R1.20 NC(=O)NC1CCC(N)CC1 Q59731 [0,1,0,0,0,1|1,0,0]=3 1043 B11R1.20 NC1CCC(CC(=O)O)CC1 P42675 [0,1,0,0,0,1|0,0,0]=2 1044 B11R1.20 N[C@H]1CC[C@@H](CC(=O)O)CC1 P44179 [0,1,0,0,0,1|0,0,0]=2 1045 B11R1.20 N[C@H]1CC[C@H](CC(=O)O)CC1 P44177 [0,1,0,0,0,1|0,0,0]=2 1046 B11R1.20 O=C(O)C=C1CCC(F)CC1 P46551 [0,1,0,0,0,1|0,0,1]=3 1047 B11R1.20 O=C(O)CC1CCC(=O)CC1 K12392 [0,1,0,0,0,1|0,0,1]=3 1048 B11R1.20 O=C(O)CC1CCC(=O)NC1 Q64485 [0,1,0,0,0,1|1,0,1]=4 1049 B11R1.20 O=C(O)CC1CCC(F)CC1 P45648 [0,1,0,0,0,1|0,0,0]=2 1050 B11R1.20 O=C(O)CC1CCC(O)CC1 K12393 [0,1,0,0,0,1|0,0,0]=2 1051 B11R1.20 O=C(O)CN1CCC(=O)CC1 P39661 [0,1,0,0,0,1|1,0,1]=4 1052 B11R1.20 O=C(O)C[C@H]1CC[C@@H](F)CC1 P47213 [0,1,0,0,0,1|0,0,0]=2 1053 B11R1.20 O=C(O)C[C@H]1CC[C@H](F)CC1 P47129 [0,1,0,0,0,1|0,0,0]=2 1054 B11R1.36 CC(=O)N(C)C1CCCNC1 L14185 [0,1,0,0,0,1|2,0,0]=4 1055 B11R1.36 CC(=O)N(C)C1CCNCC1 L18490 [0,1,0,0,0,1|2,0,0]=4 1056 B11R1.36 CC(=O)N(C)[C@@H]1CCCNC1 L18491 [0,1,0,0,0,1|2,0,0]=4 1057 B11R1.36 CC(=O)N(C)[C@H]1CCCNC1 P45694 [0,1,0,0,0,1|2,0,0]=4 1058 B11R1.36 CC(C(=O)O)C1CCOCC1 Q57688 [0,1,0,0,0,1|1,0,0]=3 1059 B11R1.36 NC(=O)C(O)C1CCOCC1 Q57649 [0,1,0,0,0,1|2,0,0]=4 1060 B11R1.36 NC(C(=O)O)C1CCCCC1 P44587 [0,1,0,0,0,1|0,0,0]=2 1061 B11R1.36 NC(C(=O)O)C1CCOCC1 C-3566 [0,1,0,0,0,1|1,0,0]=3 1062 B11R1.36 NC(C(=O)O)C1CCOCC1 P51439 [0,1,0,0,0,1|1,0,0]=3 1063 B11R1.36 N[C@@H](C(=O)O)C1CCOCC1 P37935 [0,1,0,0,0,1|1,0,0]=3 1064 B11R1.36 N[C@H](C(=O)O)C1CCOCC1 M22678 [0,1,0,0,0,1|1,0,0]=3 1065 B11R1.36 O=C(O)C(=O)C1CCCCC1 L14103 [0,1,0,0,0,1|0,0,0]=2 1066 B11R1.36 O=C(O)C(=O)C1CCOCC1 Q63562 [0,1,0,0,0,1|1,0,0]=3 1067 B11R1.36 O=C(O)C(F)C1CCOCC1 Q63095 [0,1,0,0,0,1|1,0,0]=3 1068 B11R1.36 O=C(O)C(O)C1CCCNC1 Q59895 [0,1,0,0,0,1|1,0,0]=3 1069 B11R1.36 O=C(O)C(O)C1CCOCC1 Q63568 [0,1,0,0,0,1|1,0,0]=3 1070 B11R1.36 O=C(O)[C@@H](O)C1CCOCC1 Q63569 [0,1,0,0,0,1|1,0,0]=3 1071 B11R1.40 COC(=O)CC1C=CCCC1 P47428 [0,1,0,0,0,1|0,0,2]=4 1072 B11R1.40 COC(=O)CC1CCCNC1 P39389 [0,1,0,0,0,1|1,0,0]=3 1073 B11R1.40 COC(=O)CC1CCNCC1 F-4803 [0,1,0,0,0,1|1,0,0]=3 1074 B11R1.40 COC(=O)CC1CCOCC1 P40951 [0,1,0,0,0,1|1,0,0]=3 1075 B11R1.40 COC(=O)CC1CCSCC1 Q56856 [0,1,0,0,0,1|1,0,0]=3 1076 B11R1.40 COC(=O)CC1CNCCO1 P37954 [0,1,0,0,0,1|2,0,0]=4 1077 B11R1.40 COC(=O)CC1COCCN1 P35467 [0,1,0,0,0,1|2,0,0]=4 1078 B11R1.40 COC(=O)C[C@@H]1CCCNC1 Q64535 [0,1,0,0,0,1|1,0,0]=3 1079 B11R1.40 COC(=O)C[C@@H]1COCCN1 P51211 [0,1,0,0,0,1|2,0,0]=4 1080 B11R1.40 COC(=O)C[C@H]1CCCNC1 A-199 [0,1,0,0,0,1|1,0,0]=3 1081 B11R1.40 COC(=O)C[C@H]1COCCN1 P51210 [0,1,0,0,0,1|2,0,0]=4 1082 B11R1.40 NC(CO)CC1CCCCC1 P43163 [0,1,0,0,0,1|1,0,1]=4 1083 B11R1.40 NC(CO)CC1CCCCC1 P49922 [0,1,0,0,0,1|1,0,1]=4 1084 B11R1.40 NCC(=O)OC1CCCCC1 Q59779 [0,1,0,0,0,1|1,0,0]=3 1085 B11R1.40 NCC(=O)OC1CCCCC1 Q59780 [0,1,0,0,0,1|1,0,0]=3 1086 B11R1.40 N[C@@H](CO)CC1CCCCC1 P39924 [0,1,0,0,0,1|1,0,1]=4 1087 B11R1.40 N[C@H](CO)CC1CCCCC1 P34720 [0,1,0,0,0,1|1,0,1]=4 1088 B11R1.40 O=C(CCl)NC1CCCCC1 P39482 [0,1,0,0,0,1|1,0,0]=3 1089 B11R1.86 CN1CCCCC1CC(=O)O Q60600 [0,1,0,0,0,1|1,0,0]=3 1090 B11R1.86 O=C(O)C[C@@H]1CCCC[C@H]1O P45493 [0,1,0,0,0,1|0,0,0]=2 1091 B11R1.157 CC1CC(CC(=O)O)CCO1 Q63846 [0,1,0,0,0,1|1,0,0]=3 1092 B11R1.157 CN1CCCC(CC(=O)O)C1 M22814 [0,1,0,0,0,1|1,0,0]=3 1093 B11R1.157 NC(=O)CN1CCCC(N)C1 Q57492 [0,1,0,0,0,1|2,0,0]=4 1094 B11R1.157 NC(=O)CN1CCCC(N)C1 Q57493 [0,1,0,0,0,1|2,0,0]=4 1095 B11R1.157 O=C(O)CC1CCCC(=O)N1 Q57418 [0,1,0,0,0,1|1,0,1]=4 1096 B11R1.157 O=C(O)CC1CCCC(F)C1 P47902 [0,1,0,0,0,1|0,0,0]=2 1097 B11R1.157 O=C(O)CC1CCNC(=O)C1 Q64488 [0,1,0,0,0,1|1,0,1]=4 1098 B11R1.157 O=C(O)C[C@@H]1CCC[C@@H](F)C1 P46710 [0,1,0,0,0,1|0,0,0]=2 1099 B11R1.157 O=C(O)C[C@H]1CCC[C@@H](F)C1 P46711 [0,1,0,0,0,1|0,0,0]=2 1100 B11R1.509 O=S(=O)(Cl)CC1CCCCC1 P44609 [0,1,0,0,0,1|1,0,1]=4 1101 B11R1.928 CC1(CC(=O)O)CCCCC1 Q60680 [0,1,0,0,0,1|0,0,0]=2 1102 B11R1.928 CC1(CC(=O)O)CCOCC1 Q63560 [0,1,0,0,0,1|1,0,0]=3 1103 B11R1.928 NC(=O)CC1(N)CCOCC1 Q57841 [0,1,0,0,0,1|2,0,0]=4 1104 B11R1.928 NC(=O)CC1(N)CCOCC1 Q57842 [0,1,0,0,0,1|2,0,0]=4 1105 B11R1.928 NC1(CC(=O)O)CCCCC1 O28916 [0,1,0,0,0,1|0,0,0]=2 1106 B11R1.928 NC1(CC(=O)O)CCOCC1 P38944 [0,1,0,0,0,1|1,0,0]=3 1107 B11R1.928 NC1(CC(=O)O)CCSCC1 Q57974 [0,1,0,0,0,1|1,0,0]=3 1108 B11R1.928 O=C(O)CC1(O)CCOCC1 Q63565 [0,1,0,0,0,1|1,0,0]=3 1109 B11R1.737 NC1(C(=O)O)CCCCCC1 O28571 [0,1,0,0,0,1|0,0,0]=2 1110 B11R1.737 O=C(O)C1(O)CCCCCC1 P39846 [0,1,0,0,0,1|0,0,0]=2 1111 B11R1.852 COC(=O)C1CCCNCC1 L13048 [0,1,0,0,0,1|0,0,0]=2 1112 B11R1.852 O=C(CCl)N1CCCCCC1 P51226 [0,1,0,0,0,1|2,0,0]=4 1113 B11R1.3 CC(=O)N1CCC(C=O)CC1 P40953 [0,2,0,0,0,0|2,0,0]=4 1114 B11R1.3 CC(=O)N1CCC(CN)CC1 L14566 [0,2,0,0,0,0|2,0,0]=4 1115 B11R1.3 CC(=O)N1CCC(CN)CC1 O28756 [0,2,0,0,0,0|2,0,0]=4 1116 B11R1.3 CCC1CCC(C(=O)O)CC1 P44625 [0,2,0,0,0,0|0,0,0]=2 1117 B11R1.3 CCN1CCC(C(=O)O)CC1 P35275 [0,2,0,0,0,0|1,0,0]=3 1118 B11R1.3 CNC1CCC(C(=O)O)CC1 P35898 [0,2,0,0,0,0|0,0,0]=2 1119 B11R1.3 CN[C@H]1CC[C@@H](C(=O)O)CC1 P45252 [0,2,0,0,0,0|0,0,0]=2 1120 B11R1.3 COC1CCC(C(=O)O)CC1 P34721 [0,2,0,0,0,0|0,0,0]=2 1121 B11R1.3 CO[C@H]1CC[C@@H](C(=O)O)CC1 L21392 [0,2,0,0,0,0|0,0,0]=2 1122 B11R1.3 CO[C@H]1CC[C@H](C(=O)O)CC1 I-9958 [0,2,0,0,0,0|0,0,0]=2 1123 B11R1.3 N#CC1CCC(C(=O)O)CC1 O32431 [0,2,0,0,0,0|0,0,0]=2 1124 B11R1.3 NCC1CCC(C(N)=O)CC1 Q59830 [0,2,0,0,0,0|1,0,0]=3 1125 B11R1.3 NCC1CCC(C(N)=O)CC1 Q59831 [0,2,0,0,0,0|1,0,0]=3 1126 B11R1.3 NC[C@H]1CC[C@@H](C(=O)O)CC1 P44047 [0,2,0,0,0,0|0,0,0]=2 1127 B11R1.3 NC[C@H]1CC[C@H](C(=O)O)CC1 P49430 [0,2,0,0,0,0|0,0,0]=2 1128 B11R1.3 O=C(O)[C@H]1CC[C@H](CF)CC1 P49781 [0,2,0,0,0,0|0,0,0]=2 1129 B11R1.3 O=C(O)[C@H]1CC[C@H](CO)CC1 P44439 [0,2,0,0,0,0|0,0,0]=2 1130 B11R1.3 O=CN1CCC(C(=O)O)CC1 G-5920 [0,2,0,0,0,0|1,0,0]=3 1131 B11R1.19 CC(C)(O)[C@H]1CC[C@@H](N)CC1 P49404 [0,2,0,0,0,0|1,0,1]=4 1132 B11R1.19 CC(C)(O)[C@H]1CC[C@H](N)CC1 G-5931 [0,2,0,0,0,0|1,0,1]=4 1133 B11R1.19 CS(=O)(=O)C1CCC(N)CC1 Q59699 [0,2,0,0,0,0|1,0,1]=4 1134 B11R1.19 CS(=O)(=O)C1CCC(N)CC1 Q59700 [0,2,0,0,0,0|1,0,1]=4 1135 B11R1.21 CC1CC(C(=O)O)CCC1=O Q59555 [0,2,0,0,0,0|0,0,1]=3 1136 B11R1.21 CN1CC(C(=O)O)CCC1=O O33493 [0,2,0,0,0,0|1,0,1]=4 1137 B11R1.21 CN1CCC(C(=O)O)CC1=O C-2258 [0,2,0,0,0,0|1,0,1]=4 1138 B11R1.21 CN1C[C@@H](C(=O)O)CCC1=O Q54896 [0,2,0,0,0,0|1,0,1]=4 1139 B11R1.21 CN1C[C@H](C(=O)O)CCC1=O Q54895 [0,2,0,0,0,0|1,0,1]=4 1140 B11R1.21 O=C(O)[C@@H]1CC[C@@H](F)[C@@H](F)C1 Q60737 [0,2,0,0,0,0|0,0,0]=2 1141 B11R1.22 C=CC(=O)N1CCC(N)CC1 Q57510 [0,2,0,0,0,0|2,0,0]=4 1142 B11R1.22 CC1CCN(C(=O)CCl)CC1 Q59975 [0,2,0,0,0,0|2,0,0]=4 1143 B11R1.22 CCC(=O)N1CCC(N)CC1 P37284 [0,2,0,0,0,0|2,0,0]=4 1144 B11R1.22 COC(=O)C1CCC(=O)CC1 M23164 [0,2,0,0,0,0|0,0,1]=3 1145 B11R1.22 COC(=O)C1CCC(=O)NC1 C-3589 [0,2,0,0,0,0|1,0,1]=4 1146 B11R1.22 COC(=O)C1CCC(C)NC1 L14297 [0,2,0,0,0,0|1,0,0]=3 1147 B11R1.22 COC(=O)C1CCC(N)CC1 P43106 [0,2,0,0,0,0|0,0,0]=2 1148 B11R1.22 COC(=O)C1CCC(O)CC1 P40519 [0,2,0,0,0,0|0,0,0]=2 1149 B11R1.22 COC(=O)[C@@H]1CCC(=O)NC1 Q55620 [0,2,0,0,0,0|1,0,1]=4 1150 B11R1.22 COC(=O)[C@@H]1CC[C@@H](C)NC1 L21447 [0,2,0,0,0,0|1,0,0]=3 1151 B11R1.22 COC(=O)[C@@H]1CC[C@@H](C)NC1 L21795 [0,2,0,0,0,0|1,0,0]=3 1152 B11R1.22 COC(=O)[C@@H]1CC[C@@H](C)NC1 Q65077 [0,2,0,0,0,0|1,0,0]=3 1153 B11R1.22 COC(=O)[C@@H]1CC[C@@H](C)NC1 Q65078 [0,2,0,0,0,0|1,0,0]=3 1154 B11R1.22 COC(=O)[C@@H]1CC[C@H](C)NC1 I-9522 [0,2,0,0,0,0|1,0,0]=3 1155 B11R1.22 COC(=O)[C@@H]1CC[C@H](O)CN1 Q56463 [0,2,0,0,0,0|1,0,0]=3 1156 B11R1.22 COC(=O)[C@H]1CCC(=O)NC1 Q55619 [0,2,0,0,0,0|1,0,1]=4 1157 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 L18343 [0,2,0,0,0,0|1,0,0]=3 1158 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 Q56563 [0,2,0,0,0,0|1,0,0]=3 1159 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 Q69191 [0,2,0,0,0,0|1,0,0]=3 1160 B11R1.22 COC(=O)[C@H]1CC[C@@H](F)CC1 P45982 [0,2,0,0,0,0|0,0,0]=2 1161 B11R1.22 COC(=O)[C@H]1CC[C@@H](N)CC1 I-9280 [0,2,0,0,0,0|0,0,0]=2 1162 B11R1.22 COC(=O)[C@H]1CC[C@@H](O)CC1 F-4822 [0,2,0,0,0,0|0,0,0]=2 1163 B11R1.22 COC(=O)[C@H]1CC[C@@H](O)CN1 Q52178 [0,2,0,0,0,0|1,0,0]=3 1164 B11R1.22 COC(=O)[C@H]1CC[C@H](C)NC1 Q65079 [0,2,0,0,0,0|1,0,0]=3 1165 B11R1.22 COC(=O)[C@H]1CC[C@H](C)NC1 Q65118 [0,2,0,0,0,0|1,0,0]=3 1166 B11R1.22 COC(=O)[C@H]1CC[C@H](F)CC1 P46247 [0,2,0,0,0,0|0,0,0]=2 1167 B11R1.22 COC(=O)[C@H]1CC[C@H](N)CC1 I-9186 [0,2,0,0,0,0|0,0,0]=2 1168 B11R1.22 COC(=O)[C@H]1CC[C@H](N)CN1 Q52451 [0,2,0,0,0,0|1,0,0]=3 1169 B11R1.166 CC1CC(=O)CCC1C(=O)O P49705 [0,2,0,0,0,0|0,0,1]=3 1170 B11R1.166 C[C@@H]1CC(=O)CC[C@H]1C(=O)O P45260 [0,2,0,0,0,0|0,0,1]=3 1171 B11R1.166 C[C@H]1CC(=O)CC[C@H]1C(=O)O P45261 [0,2,0,0,0,0|0,0,1]=3 1172 B11R1.220 CC1(C(=O)O)CCC(=O)CC1 O31026 [0,2,0,0,0,0|0,0,1]=3 1173 B11R1.220 CC1(C(=O)O)CCC(O)CC1 P48496 [0,2,0,0,0,0|0,0,0]=2 1174 B11R1.220 CC1CCC(F)(C(=O)O)CC1 Q60770 [0,2,0,0,0,0|0,0,0]=2 1175 B11R1.220 CN1CCC(C)(C(=O)O)CC1 P44552 [0,2,0,0,0,0|1,0,0]=3 1176 B11R1.220 CN1CCC(F)(C(=O)O)CC1 H-8762 [0,2,0,0,0,0|1,0,0]=3 1177 B11R1.220 CN1CCC(N)(C(=O)O)CC1 M22698 [0,2,0,0,0,0|1,0,0]=3 1178 B11R1.220 CN1CCC(O)(C(=O)O)CC1 Q65179 [0,2,0,0,0,0|1,0,0]=3 1179 B11R1.220 C[C@]1(C(=O)O)CC[C@@H](O)CC1 P44992 [0,2,0,0,0,0|0,0,0]=2 1180 B11R1.220 C[C@]1(C(=O)O)CC[C@H](O)CC1 P45202 [0,2,0,0,0,0|0,0,0]=2 1181 B11R1.220 NC1(C(=O)O)CCC(=O)CC1 P39052 [0,2,0,0,0,0|0,0,1]=3 1182 B11R1.220 NC1CCC(F)(C(=O)O)CC1 P48250 [0,2,0,0,0,0|0,0,0]=2 1183 B11R1.727 CC(=O)C1CCC(F)(F)CC1 P44040 [0,2,0,0,0,0|1,0,0]=3 1184 B11R1.727 CC(=O)C1CCS(=O)(=O)CC1 Q57979 [0,2,0,0,0,0|2,0,0]=4 1185 B11R1.727 CC1(C)CCC(C(=O)O)CC1 Q59516 [0,2,0,0,0,0|0,0,0]=2 1186 B11R1.727 CC1(C)CCC(C(=O)O)NC1 Q53321 [0,2,0,0,0,0|1,0,0]=3 1187 B11R1.727 CC1(C)CCC(C(=O)O)NC1 Q53322 [0,2,0,0,0,0|1,0,0]=3 1188 B11R1.727 C[C@@H](O)C1CCC(C)(C)CC1 Q59505 [0,2,0,0,0,0|1,0,1]=4 1189 B11R1.727 C[C@H](O)C1CCC(C)(C)CC1 Q59587 [0,2,0,0,0,0|1,0,1]=4 1190 B11R1.727 O=C(O)C1CCC(F)(F)CC1 H-8603 [0,2,0,0,0,0|0,0,0]=2 1191 B11R1.727 O=C(O)C1CCC(F)(F)CN1 G-5912 [0,2,0,0,0,0|1,0,0]=3 1192 B11R1.727 O=C(O)C1CCC(F)(F)CO1 Q63454 [0,2,0,0,0,0|1,0,0]=3 1193 B11R1.727 O=C(O)C1CCS(=O)(=O)CC1 G-6355 [0,2,0,0,0,0|1,0,0]=3 1194 B11R1.16 CCNC(=O)[C@@H]1CCCNC1 P35512 [0,2,0,0,0,0|2,0,0]=4 1195 B11R1.16 CCOC(=N)C1CCNCC1 Q65272 [0,2,0,0,0,0|2,0,0]=4 1196 B11R1.16 CCOC(=O)C1CCCCO1 Q54673 [0,2,0,0,0,0|1,0,0]=3 1197 B11R1.16 CCOC(=O)C1CNCCN1 O33318 [0,2,0,0,0,0|2,0,0]=4 1198 B11R1.16 CCOC(=O)C1CNCCO1 B-1164 [0,2,0,0,0,0|2,0,0]=4 1199 B11R1.16 CCOC(=O)C1COCCN1 B-1161 [0,2,0,0,0,0|2,0,0]=4 1200 B11R1.16 CCOC(=O)C1CSCCN1 A-594 [0,2,0,0,0,0|2,0,0]=4 1201 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 P42127 [0,2,0,0,0,0|1,0,0]=3 1202 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 L13778 [0,2,0,0,0,0|1,0,0]=3 1203 B11R1.16 CCOC(=O)[C@@H]1CNCCO1 B-1166 [0,2,0,0,0,0|2,0,0]=4 1204 B11R1.16 CCOC(=O)[C@@H]1COCCN1 B-1163 [0,2,0,0,0,0|2,0,0]=4 1205 B11R1.16 CCOC(=O)[C@H]1CCCCN1 P40324 [0,2,0,0,0,0|1,0,0]=3 1206 B11R1.16 CCOC(=O)[C@H]1CCCNC1 G-6210 [0,2,0,0,0,0|1,0,0]=3 1207 B11R1.16 CCOC(=O)[C@H]1CCCNC1 L13783 [0,2,0,0,0,0|1,0,0]=3 1208 B11R1.16 CCOC(=O)[C@H]1CNCCO1 B-1165 [0,2,0,0,0,0|2,0,0]=4 1209 B11R1.16 CCOC(=O)[C@H]1COCCN1 B-1162 [0,2,0,0,0,0|2,0,0]=4 1210 B11R1.16 COCC(=O)C1CCOCC1 Q57791 [0,2,0,0,0,0|1,0,0]=3 1211 B11R1.16 N#CCC(=O)C1CCCCC1 P36999 [0,2,0,0,0,0|1,0,0]=3 1212 B11R1.16 N#CCC(=O)C1CCCOC1 Q62937 [0,2,0,0,0,0|2,0,0]=4 1213 B11R1.16 N#CCC(=O)C1CCOCC1 C-3415 [0,2,0,0,0,0|2,0,0]=4 1214 B11R1.16 NCCC(=O)N1CCCCC1 P40818 [0,2,0,0,0,0|2,0,0]=4 1215 B11R1.23 C=CC(=O)N1CCCC(N)C1 Q57573 [0,2,0,0,0,0|2,0,0]=4 1216 B11R1.23 CNC(=O)C1CCCC(N)C1 Q59684 [0,2,0,0,0,0|1,0,0]=3 1217 B11R1.23 COC(=O)C1CC(O)CCN1 Q53691 [0,2,0,0,0,0|1,0,0]=3 1218 B11R1.23 COC(=O)C1CCCC(=O)C1 P48838 [0,2,0,0,0,0|0,0,1]=3 1219 B11R1.23 COC(=O)C1CCCC(N)C1 P45023 [0,2,0,0,0,0|0,0,0]=2 1220 B11R1.23 COC(=O)C1CCCC(O)C1 P45682 [0,2,0,0,0,0|0,0,0]=2 1221 B11R1.23 COC(=O)C1CCNC(=O)C1 G-5565 [0,2,0,0,0,0|1,0,1]=4 1222 B11R1.23 COC(=O)C1CNCC(C)C1 L13185 [0,2,0,0,0,0|1,0,0]=3 1223 B11R1.23 COC(=O)C1CNCC(C)C1 Q65266 [0,2,0,0,0,0|1,0,0]=3 1224 B11R1.23 COC(=O)C1CNCC(F)C1 Q61303 [0,2,0,0,0,0|1,0,0]=3 1225 B11R1.23 COC(=O)C1COCC(=O)C1 O33028 [0,2,0,0,0,0|1,0,1]=4 1226 B11R1.23 COC(=O)C1COCC(F)C1 Q54621 [0,2,0,0,0,0|1,0,0]=3 1227 B11R1.23 COC(=O)C1COCC(N)C1 Q61430 [0,2,0,0,0,0|1,0,0]=3 1228 B11R1.23 COC(=O)C1COCC(O)C1 O33130 [0,2,0,0,0,0|1,0,0]=3 1229 B11R1.23 COC(=O)[C@@H]1CC(=O)CCN1 G-5855 [0,2,0,0,0,0|1,0,1]=4 1230 B11R1.23 COC(=O)[C@@H]1CCCC(=O)C1 P46175 [0,2,0,0,0,0|0,0,1]=3 1231 B11R1.23 COC(=O)[C@@H]1CCC[C@@H](N)C1 P45291 [0,2,0,0,0,0|0,0,0]=2 1232 B11R1.23 COC(=O)[C@@H]1CCC[C@@H](N)C1 P45572 [0,2,0,0,0,0|0,0,0]=2 1233 B11R1.23 COC(=O)[C@@H]1CCC[C@@H](N)C1 P46950 [0,2,0,0,0,0|0,0,0]=2 1234 B11R1.23 COC(=O)[C@@H]1CCC[C@@H](N)C1 P46951 [0,2,0,0,0,0|0,0,0]=2 1235 B11R1.23 COC(=O)[C@@H]1CCC[C@@H](O)C1 P44686 [0,2,0,0,0,0|0,0,0]=2 1236 B11R1.23 COC(=O)[C@@H]1CCC[C@H](N)C1 P45007 [0,2,0,0,0,0|0,0,0]=2 1237 B11R1.23 COC(=O)[C@@H]1CCC[C@H](N)C1 P46434 [0,2,0,0,0,0|0,0,0]=2 1238 B11R1.23 COC(=O)[C@@H]1CCC[C@H](N)C1 P48782 [0,2,0,0,0,0|0,0,0]=2 1239 B11R1.23 COC(=O)[C@@H]1CCC[C@H](O)C1 O33421 [0,2,0,0,0,0|0,0,0]=2 1240 B11R1.23 COC(=O)[C@@H]1CCC[C@H](O)C1 P45300 [0,2,0,0,0,0|0,0,0]=2 1241 B11R1.23 COC(=O)[C@@H]1CCN[C@H](C)C1 G-7298 [0,2,0,0,0,0|1,0,0]=3 1242 B11R1.23 COC(=O)[C@@H]1CNC[C@@H](C)C1 Q52376 [0,2,0,0,0,0|1,0,0]=3 1243 B11R1.23 COC(=O)[C@@H]1CNC[C@@H](C)C1 Q52377 [0,2,0,0,0,0|1,0,0]=3 1244 B11R1.23 COC(=O)[C@@H]1C[C@H](C)CCN1 Q52553 [0,2,0,0,0,0|1,0,0]=3 1245 B11R1.23 COC(=O)[C@@H]1C[C@H](O)CCN1 Q53153 [0,2,0,0,0,0|1,0,0]=3 1246 B11R1.23 COC(=O)[C@H]1CCCC(=O)C1 P49238 [0,2,0,0,0,0|0,0,1]=3 1247 B11R1.23 COC(=O)[C@H]1CCC[C@@H](N)C1 P45213 [0,2,0,0,0,0|0,0,0]=2 1248 B11R1.23 COC(=O)[C@H]1CCC[C@@H](O)C1 P48011 [0,2,0,0,0,0|0,0,0]=2 1249 B11R1.23 COC(=O)[C@H]1CCC[C@H](N)C1 O33219 [0,2,0,0,0,0|0,0,0]=2 1250 B11R1.23 COC(=O)[C@H]1CCC[C@H](O)C1 P44687 [0,2,0,0,0,0|0,0,0]=2 1251 B11R1.23 COC(=O)[C@H]1CCC[C@H](O)C1 P45405 [0,2,0,0,0,0|0,0,0]=2 1252 B11R1.23 COC(=O)[C@H]1CNC[C@@H](C)C1 L14614 [0,2,0,0,0,0|1,0,0]=3 1253 B11R1.23 COC(=O)[C@H]1CNC[C@@H](C)C1 Q52374 [0,2,0,0,0,0|1,0,0]=3 1254 B11R1.23 COC(=O)[C@H]1CNC[C@@H](C)C1 Q52375 [0,2,0,0,0,0|1,0,0]=3 1255 B11R1.23 COC(=O)[C@H]1CNC[C@@H](F)C1 Q61302 [0,2,0,0,0,0|1,0,0]=3 1256 B11R1.222 CCS(=O)C1CCCCC1N Q59522 [0,2,0,0,0,0|2,0,0]=4 1257 B11R1.222 COC(=O)C1CCCNC1=O Q65270 [0,2,0,0,0,0|1,0,1]=4 1258 B11R1.222 COC(=O)C1CCCNC1C Q65268 [0,2,0,0,0,0|1,0,0]=3 1259 B11R1.222 COC(=O)C1CCNCC1C P47101 [0,2,0,0,0,0|1,0,0]=3 1260 B11R1.222 COC(=O)C1CCNCC1C Q61324 [0,2,0,0,0,0|1,0,0]=3 1261 B11R1.222 COC(=O)C1CCNCC1F L18368 [0,2,0,0,0,0|1,0,0]=3 1262 B11R1.222 COC(=O)C1CCOCC1=O Q54640 [0,2,0,0,0,0|1,0,1]=4 1263 B11R1.222 COC(=O)C1CCOCC1O Q54637 [0,2,0,0,0,0|1,0,0]=3 1264 B11R1.222 COC(=O)C1CNCCC1C Q65267 [0,2,0,0,0,0|1,0,0]=3 1265 B11R1.222 COC(=O)C1CNCCC1O Q65269 [0,2,0,0,0,0|1,0,0]=3 1266 B11R1.222 COC(=O)C1COCCC1=O 10686 [0,2,0,0,0,0|1,0,1]=4 1267 B11R1.222 COC(=O)[C@@H]1CCCC[C@@H]1N Q53599 [0,2,0,0,0,0|0,0,0]=2 1268 B11R1.222 COC(=O)[C@@H]1CCCC[C@@H]1O P44795 [0,2,0,0,0,0|0,0,0]=2 1269 B11R1.222 COC(=O)[C@@H]1CCCC[C@H]1N L18356 [0,2,0,0,0,0|0,0,0]=2 1270 B11R1.222 COC(=O)[C@@H]1CCCC[C@H]1N Q59594 [0,2,0,0,0,0|0,0,0]=2 1271 B11R1.222 COC(=O)[C@@H]1CCCC[C@H]1O P44794 [0,2,0,0,0,0|0,0,0]=2 1272 B11R1.222 COC(=O)[C@@H]1CCCN[C@@H]1C Q65082 [0,2,0,0,0,0|1,0,0]=3 1273 B11R1.222 COC(=O)[C@@H]1CCNC[C@@H]1C Q61325 [0,2,0,0,0,0|1,0,0]=3 1274 B11R1.222 COC(=O)[C@@H]1CCNC[C@@H]1C Q61326 [0,2,0,0,0,0|1,0,0]=3 1275 B11R1.222 COC(=O)[C@@H]1CCNC[C@@H]1F Q65127 [0,2,0,0,0,0|1,0,0]=3 1276 B11R1.222 COC(=O)[C@@H]1CCNC[C@H]1C Q61329 [0,2,0,0,0,0|1,0,0]=3 1277 B11R1.222 COC(=O)[C@@H]1CCNC[C@H]1C Q61330 [0,2,0,0,0,0|1,0,0]=3 1278 B11R1.222 COC(=O)[C@@H]1CNCC[C@@H]1C Q65154 [0,2,0,0,0,0|1,0,0]=3 1279 B11R1.222 COC(=O)[C@@H]1CNCC[C@H]1C Q65152 [0,2,0,0,0,0|1,0,0]=3 1280 B11R1.222 COC(=O)[C@@H]1CNCC[C@H]1C Q65155 [0,2,0,0,0,0|1,0,0]=3 1281 B11R1.222 COC(=O)[C@@H]1COCC[C@@H]1N 10674 [0,2,0,0,0,0|1,0,0]=3 1282 B11R1.222 COC(=O)[C@@H]1CSCC[C@@H]1N Q54661 [0,2,0,0,0,0|1,0,0]=3 1283 B11R1.222 COC(=O)[C@H]1CCCC[C@@H]1N S72674 [0,2,0,0,0,0|0,0,0]=2 1284 B11R1.222 COC(=O)[C@H]1CCNC[C@@H]1C Q61331 [0,2,0,0,0,0|1,0,0]=3 1285 B11R1.222 COC(=O)[C@H]1CCNC[C@@H]1F Q65126 [0,2,0,0,0,0|1,0,0]=3 1286 B11R1.222 COC(=O)[C@H]1CCNC[C@H]1C Q61327 [0,2,0,0,0,0|1,0,0]=3 1287 B11R1.222 COC(=O)[C@H]1CCNC[C@H]1C Q61328 [0,2,0,0,0,0|1,0,0]=3 1288 B11R1.222 COC(=O)[C@H]1CCOC[C@@H]1O Q54638 [0,2,0,0,0,0|1,0,0]=3 1289 B11R1.222 COC(=O)[C@H]1CNCC[C@@H]1C Q65156 [0,2,0,0,0,0|1,0,0]=3 1290 B11R1.222 COC(=O)[C@H]1CNCC[C@H]1C L21306 [0,2,0,0,0,0|1,0,0]=3 1291 B11R1.222 COC(=O)[C@H]1CNCC[C@H]1C Q65153 [0,2,0,0,0,0|1,0,0]=3 1292 B11R1.222 COC(=O)[C@H]1COCC[C@H]1N 10675 [0,2,0,0,0,0|1,0,0]=3 1293 B11R1.222 COC(=O)[C@H]1COCC[C@H]1N Q54601 [0,2,0,0,0,0|1,0,0]=3 1294 B11R1.222 COC(=O)[C@H]1CSCC[C@H]1N Q54662 [0,2,0,0,0,0|1,0,0]=3 1295 B11R1.222 COC(=O)[C@H]1NCCC[C@@H]1O Q53226 [0,2,0,0,0,0|1,0,0]=3 1296 B11R1.878 CC1(C(=O)CBr)CCOCC1 Q64727 [0,2,0,0,0,0|2,0,0]=4 1297 B11R1.878 CNC(=O)C1(N)CCOCC1 P48956 [0,2,0,0,0,0|2,0,0]=4 1298 B11R1.878 COC(=O)C1(C)CCCCN1 L18198 [0,2,0,0,0,0|1,0,0]=3 1299 B11R1.878 COC(=O)C1(C)CCCCN1 L18199 [0,2,0,0,0,0|1,0,0]=3 1300 B11R1.878 COC(=O)C1(C)CCCNC1 G-7877 [0,2,0,0,0,0|1,0,0]=3 1301 B11R1.878 COC(=O)C1(C)CCCOC1 Q52315 [0,2,0,0,0,0|1,0,0]=3 1302 B11R1.878 COC(=O)C1(C)CCNCC1 C-3591 [0,2,0,0,0,0|1,0,0]=3 1303 B11R1.878 COC(=O)C1(C)CCOCC1 G-6352 [0,2,0,0,0,0|1,0,0]=3 1304 B11R1.878 COC(=O)C1(C)COCCN1 G-7648 [0,2,0,0,0,0|2,0,0]=4 1305 B11R1.878 COC(=O)C1(F)CCNCC1 Q61175 [0,2,0,0,0,0|1,0,0]=3 1306 B11R1.878 COC(=O)C1(F)CCOCC1 G-7954 [0,2,0,0,0,0|1,0,0]=3 1307 B11R1.878 COC(=O)C1(N)CCCCC1 P38427 [0,2,0,0,0,0|0,0,0]=2 1308 B11R1.878 COC(=O)C1(N)CCCCC1 Q56245 [0,2,0,0,0,0|0,0,0]=2 1309 B11R1.878 COC(=O)C1(N)CCNCC1 P40837 [0,2,0,0,0,0|1,0,0]=3 1310 B11R1.878 COC(=O)C1(N)CCOCC1 C-3564 [0,2,0,0,0,0|1,0,0]=3 1311 B11R1.878 COC(=O)C1(N)CCOCC1 L13597 [0,2,0,0,0,0|1,0,0]=3 1312 B11R1.878 COC(=O)C1(N)CCSCC1 Q57894 [0,2,0,0,0,0|1,0,0]=3 1313 B11R1.878 COC(=O)C1(N)CCSCC1 Q57895 [0,2,0,0,0,0|1,0,0]=3 1314 B11R1.878 COC(=O)C1(O)CCNCC1 L19461 [0,2,0,0,0,0|1,0,0]=3 1315 B11R1.878 COC(=O)C1(O)CCNCC1 Q52126 [0,2,0,0,0,0|1,0,0]=3 1316 B11R1.878 COC(=O)C1(O)CCOCC1 I-9249 [0,2,0,0,0,0|1,0,0]=3 1317 B11R1.155 CS(=O)(=O)C1CCCC(N)C1 Q59701 [0,2,0,0,0,0|1,0,1]=4 1318 B11R1.155 CS(=O)(=O)C1CCCC(N)C1 Q59702 [0,2,0,0,0,0|1,0,1]=4 1319 B11R1.53 C=CC1OCCCC1C(=O)O Q57871 [0,2,0,0,0,0|1,0,0]=3 1320 B11R1.53 CCC1CNCCC1C(N)=O Q65274 [0,2,0,0,0,0|2,0,0]=4 1321 B11R1.53 COC1COCCC1C(=O)O Q61463 [0,2,0,0,0,0|1,0,0]=3 1322 B11R1.156 O=[N+]([O-])[C@@H]1[C@@H](O)CCC[C@H]1O P45674 [0,2,0,0,0,0|1,0,1]=4 1323 B11R1.159 CN1CCCC(C(=O)O)C1=O Q60691 [0,2,0,0,0,0|1,0,1]=4 1324 B11R1.167 CN1CC[C@@H](O)[C@H](C(=O)O)C1 H-8591 [0,2,0,0,0,0|1,0,0]=3 1325 B11R1.167 C[C@@H]1CCN(C)[C@@H](C(=O)O)C1 Q53001 [0,2,0,0,0,0|1,0,0]=3 1326 B11R1.177 CC1(C)CCCNC1C(=O)O K12407 [0,2,0,0,0,0|1,0,0]=3 1327 B11R1.177 CC1(C)CCCNC1C(=O)O Q57368 [0,2,0,0,0,0|1,0,0]=3 1328 B11R1.177 CC1(C)CNCCC1C(=O)O Q52317 [0,2,0,0,0,0|1,0,0]=3 1329 B11R1.177 CC1(C)COCCC1C(=O)O Q61468 [0,2,0,0,0,0|1,0,0]=3 1330 B11R1.177 CC1(C)OCCOC1C(=O)O P47318 [0,2,0,0,0,0|2,0,0]=4 1331 B11R1.177 CC1(C)SCCN[C@@H]1C(=O)O G-5796 [0,2,0,0,0,0|2,0,0]=4 1332 B11R1.177 O=C(O)C1CCCCC1(F)F L19821 [0,2,0,0,0,0|0,0,0]=2 1333 B11R1.177 O=C(O)C1CCCCS1(=O)=O Q63455 [0,2,0,0,0,0|1,0,0]=3 1334 B11R1.177 O=C(O)C1CCNCC1(F)F P47121 [0,2,0,0,0,0|1,0,0]=3 1335 B11R1.177 O=C(O)C1CCOCC1(F)F Q62802 [0,2,0,0,0,0|1,0,0]=3 1336 B11R1.177 O=C(O)C1CNCCC1(F)F Q56685 [0,2,0,0,0,0|1,0,0]=3 1337 B11R1.177 O=C(O)C1CNCCC1(F)F Q56686 [0,2,0,0,0,0|1,0,0]=3 1338 B11R1.177 O=C(O)C1COCCC1(F)F Q62806 [0,2,0,0,0,0|1,0,0]=3 1339 B11R1.520 CC1(C(=O)O)CCCCC1N Q59568 [0,2,0,0,0,0|0,0,0]=2 1340 B11R1.520 O=C(O)[C@@]1(F)CCCNC1=O Q52743 [0,2,0,0,0,0|1,0,1]=4 1341 B11R1.520 O=C(O)[C@]1(F)CCCNC1=O Q52742 [0,2,0,0,0,0|1,0,1]=4 1342 B11R1.74 CC(=O)C1CC(C)CC(C)C1 Q59492 [0,2,0,0,0,0|1,0,0]=3 1343 B11R1.74 CC1CC(C(=O)O)CC(=O)N1 Q59958 [0,2,0,0,0,0|1,0,1]=4 1344 B11R1.74 CC1CC(C(=O)O)CC(C)O1 Q57676 [0,2,0,0,0,0|1,0,0]=3 1345 B11R1.74 CC1CC(C)CC(C(=O)O)C1 Q59603 [0,2,0,0,0,0|0,0,0]=2 1346 B11R1.74 C[C@@H]1C[C@H](C(=O)O)C[C@H](C)C1 P44997 [0,2,0,0,0,0|0,0,0]=2 1347 B11R1.266 CCC1CC(C(=O)O)CCO1 Q57703 [0,2,0,0,0,0|1,0,0]=3 1348 B11R1.266 CCC1CC(C(N)=O)CCN1 Q65273 [0,2,0,0,0,0|2,0,0]=4 1349 B11R1.266 COC1CCCC(C(=O)O)C1 S72460 [0,2,0,0,0,0|0,0,0]=2 1350 B11R1.266 CO[C@@H]1CCC[C@@H](C(=O)O)C1 P46947 [0,2,0,0,0,0|0,0,0]=2 1351 B11R1.266 CO[C@H]1CCC[C@H](C(=O)O)C1 P50788 [0,2,0,0,0,0|0,0,0]=2 1352 B11R1.266 O=C(O)C1CCCC(CO)C1 P46440 [0,2,0,0,0,0|0,0,0]=2 1353 B11R1.667 C[C@@]1(C(=O)O)CCC[C@@H](N)C1 P46151 [0,2,0,0,0,0|0,0,0]=2 1354 B11R1.667 C[C@]1(C(=O)O)CCC[C@H](N)C1 P46135 [0,2,0,0,0,0|0,0,0]=2 1355 B11R1.667 C[C@]1(C(=O)O)CCC[C@H](N)C1 P50893 [0,2,0,0,0,0|0,0,0]=2 1356 B11R1.667 NC1CCCC(F)(C(=O)O)C1 Q59545 [0,2,0,0,0,0|0,0,0]=2 1357 B11R1.730 CC1(C)CCCC(C(=O)O)C1 Q59503 [0,2,0,0,0,0|0,0,0]=2 1358 B11R1.730 CC1(C)CCNC(C(=O)O)C1 Q57366 [0,2,0,0,0,0|1,0,0]=3 1359 B11R1.730 CC1(C)CCNC(C(=O)O)C1 Q57367 [0,2,0,0,0,0|1,0,0]=3 1360 B11R1.730 O=C(O)C1CC(F)(F)CCO1 Q64670 [0,2,0,0,0,0|1,0,0]=3 1361 B11R1.730 O=C(O)C1CCCC(F)(F)C1 P45095 [0,2,0,0,0,0|0,0,0]=2 1362 B11R1.730 O=C(O)C1CCCS(=O)(=O)C1 Q63450 [0,2,0,0,0,0|1,0,0]=3 1363 B11R1.730 O=C(O)C1CNCC(F)(F)C1 M23918 [0,2,0,0,0,0|1,0,0]=3 1364 B11R1.730 O=C(O)[C@@H]1CC(F)(F)CCN1 Q61296 [0,2,0,0,0,0|1,0,0]=3 1365 B11R1.730 O=C(O)[C@@H]1CCCC(F)(F)C1 P50388 [0,2,0,0,0,0|0,0,0]=2 1366 B11R1.730 O=C(O)[C@H]1CCCC(F)(F)C1 P45954 [0,2,0,0,0,0|0,0,0]=2 1367 B11R1.1074 CCC1(C(=O)O)CCOCC1 Q55438 [0,2,0,0,0,0|1,0,0]=3 1368 B11R1.1074 CNC1(C(=O)O)CCCCC1 S72496 [0,2,0,0,0,0|0,0,0]=2 1369 B11R1.1074 CNC1(C(=O)O)CCOCC1 Q57619 [0,2,0,0,0,0|1,0,0]=3 1370 B11R1.1074 CNC1(C(=O)O)CCOCC1 Q57620 [0,2,0,0,0,0|1,0,0]=3 1371 B11R1.1074 COC1(C(=O)O)CCCCC1 Q59782 [0,2,0,0,0,0|0,0,0]=2 1372 B11R1.1074 COC1(C(=O)O)CCNCC1 L14906 [0,2,0,0,0,0|1,0,0]=3 1373 B11R1.1074 COC1(C(=O)O)CCOCC1 Q55440 [0,2,0,0,0,0|1,0,0]=3 1374 B11R1.1074 NCC1(C(=O)O)CCCCC1 P42340 [0,2,0,0,0,0|0,0,0]=2 1375 B11R1.1074 NCC1(C(=O)O)CCOCC1 P34881 [0,2,0,0,0,0|1,0,0]=3 1376 B11R1.1074 O=C(O)C1(CF)CCOCC1 Q57289 [0,2,0,0,0,0|1,0,0]=3 1377 B9R1.13 NC(=O)CC1CCCN1 Q61611 [0,0,1,1,0,0|2,0,0]=4 1378 B9R1.13 NC(=O)CC1CCCN1 Q61612 [0,0,1,1,0,0|2,0,0]=4 1379 B9R1.13 NC(=O)CC1CCNC1 Q57405 [0,0,1,1,0,0|2,0,0]=4 1380 B9R1.13 NC(=O)CC1CCNC1 Q57406 [0,0,1,1,0,0|2,0,0]=4 1381 B9R1.13 O=C(Cl)CC1CCCO1 L21210 [0,0,1,1,0,0|2,0,0]=4 1382 B9R1.13 O=C(O)CC1CCCN1 P36438 [0,0,1,1,0,0|1,0,0]=3 1383 B9R1.13 O=C(O)CC1CCCN1 P51099 [0,0,1,1,0,0|1,0,0]=3 1384 B9R1.13 O=C(O)CC1CCNC1 G-6773 [0,0,1,1,0,0|1,0,0]=3 1385 B9R1.13 O=C(O)CC1CCNC1 M22656 [0,0,1,1,0,0|1,0,0]=3 1386 B9R1.13 O=C(O)CC1CCOC1 A-556 [0,0,1,1,0,0|1,0,0]=3 1387 B9R1.13 O=C(O)CN1CCCC1 10114 [0,0,1,1,0,0|1,0,0]=3 1388 B9R1.13 O=C(O)C[C@@H]1CCCN1 P37561 [0,0,1,1,0,0|1,0,0]=3 1389 B9R1.13 O=C(O)C[C@@H]1CCCN1 Q68982 [0,0,1,1,0,0|1,0,0]=3 1390 B9R1.13 O=C(O)C[C@@H]1CCNC1 L21906 [0,0,1,1,0,0|1,0,0]=3 1391 B9R1.13 O=C(O)C[C@H]1CCCN1 P38072 [0,0,1,1,0,0|1,0,0]=3 1392 B9R1.13 O=C(O)C[C@H]1CCCN1 P51185 [0,0,1,1,0,0|1,0,0]=3 1393 B9R1.13 O=C(O)C[C@H]1CCOC1 Q55020 [0,0,1,1,0,0|1,0,0]=3 1394 B9R1.13 OB(O)CC1CCCC1 Q68859 [0,0,1,1,0,0|1,0,1]=4 1395 B9R1.40 CC1CCCCC1(C)O Q59744 [0,0,1,1,0,0|1,0,1]=4 1396 B9R1.67 CC1CCN1CC(=O)O P47040 [0,0,1,1,0,0|1,0,0]=3 1397 B9R1.67 CC1CCN1CC(=O)O P47963 [0,0,1,1,0,0|1,0,0]=3 1398 B9R1.84 O=C(O)C#CC1CCC1 P48727 [0,0,1,1,0,0|0,0,2]=4 1399 B9R1.84 O=C(O)CCC1CCC1 P34709 [0,0,1,1,0,0|0,0,0]=2 1400 B9R1.84 O=C(O)CCC1CCO1 Q58424 [0,0,1,1,0,0|1,0,0]=3 1401 B9R1.84 O=C(O)CNC1CCC1 I-9681 [0,0,1,1,0,0|1,0,0]=3 1402 B9R1.84 O=C(O)COC1CCC1 P44175 [0,0,1,1,0,0|1,0,0]=3 1403 B9R1.84 O=C(O)\C=C\C1CCC1 P44576 [0,0,1,1,0,0|0,0,2]=4 1404 B9R1.84 O=C([O-])CCC1CCO1 Q57244 [0,0,1,1,0,0|1,0,1]=4 1405 B9R1.85 O=C(O)COCC1CC1 P39397 [0,0,1,1,0,0|1,0,0]=3 1406 B9R1.86 CCC1CC1CC(=O)O O32172 [0,0,1,1,0,0|0,0,0]=2 1407 B9R1.96 CCC1CCC1C(=O)O P47971 [0,0,1,1,0,0|0,0,0]=2 1408 B9R1.96 CCC1CN[C@@H]1C(=O)O L21366 [0,0,1,1,0,0|1,0,0]=3 1409 B9R1.96 CCN1CCC1C(=O)O P48309 [0,0,1,1,0,0|1,0,0]=3 1410 B9R1.96 CCN1CC[C@H]1C(=O)O L14215 [0,0,1,1,0,0|1,0,0]=3 1411 B9R1.96 CO[C@@H]1CC[C@@H]1C(=O)O P50796 [0,0,1,1,0,0|1,0,0]=3 1412 B9R1.96 CO[C@@H]1CC[C@H]1C(=O)O P48367 [0,0,1,1,0,0|1,0,0]=3 1413 B9R1.96 N#CC1CCC1C(=O)O L18042 [0,0,1,1,0,0|1,0,1]=4 1414 B9R1.96 O=C(O)C1CCC1CF P48305 [0,0,1,1,0,0|1,0,0]=3 1415 B9R1.96 O=C(O)N1CCC1CO P47009 [0,0,1,1,0,0|2,0,0]=4 1416 B9R1.5 N[C@@H]1CCCCNC1=O O34511 [0,0,1,1,0,0|2,0,0]=4 1417 B9R1.5 N[C@H]1CCCCNC1=O F-4004 [0,0,1,1,0,0|2,0,0]=4 1418 B9R1.5 N[C@H]1CCCCNC1=O O34512 [0,0,1,1,0,0|2,0,0]=4 1419 B9R1.23 CC1C[C@@H](CO)NC1=O Q61857 [0,0,1,1,0,0|2,0,0]=4 1420 B9R1.69 CC1CCC(=O)OC1=O Q61441 [0,0,1,1,0,0|1,0,1]=4 1421 B9R1.95 CCC1CC(C(=O)O)C1 P45348 [0,0,1,1,0,0|0,0,0]=2 1422 B9R1.95 CCN1CC(C(=O)O)C1 H-8216 [0,0,1,1,0,0|1,0,0]=3 1423 B9R1.95 CNC1CC(C(=O)O)C1 P48460 [0,0,1,1,0,0|1,0,0]=3 1424 B9R1.95 COC1CC(C(=O)O)C1 F-4385 [0,0,1,1,0,0|1,0,0]=3 1425 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 G-7356 [0,0,1,1,0,0|1,0,0]=3 1426 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 G-7357 [0,0,1,1,0,0|1,0,0]=3 1427 B9R1.95 N#CC1CC(C(=O)O)C1 P43789 [0,0,1,1,0,0|1,0,1]=4 1428 B9R1.95 NCC1CC(C(=O)O)C1 L14512 [0,0,1,1,0,0|1,0,0]=3 1429 B9R1.95 NCC1CC(C(=O)O)C1 P48866 [0,0,1,1,0,0|1,0,0]=3 1430 B9R1.95 NC[C@H]1C[C@@H](C(=O)O)C1 P48252 [0,0,1,1,0,0|1,0,0]=3 1431 B9R1.95 NC[C@H]1C[C@@H](C(=O)O)C1 P48255 [0,0,1,1,0,0|1,0,0]=3 1432 B9R1.95 NC[C@H]1C[C@H](C(=O)O)C1 P47233 [0,0,1,1,0,0|1,0,0]=3 1433 B9R1.95 O=C(O)C1CC(CBr)C1 P49897 [0,0,1,1,0,0|1,0,0]=3 1434 B9R1.95 O=C(O)C1CC(CF)C1 P47785 [0,0,1,1,0,0|1,0,0]=3 1435 B9R1.95 O=C(O)C1CC(CO)C1 D-2561 [0,0,1,1,0,0|1,0,0]=3 1436 B9R1.95 O=C(O)[C@H]1C[C@@H](CO)C1 P47160 [0,0,1,1,0,0|1,0,0]=3 1437 B9R1.95 O=C(O)[C@H]1C[C@H](CO)C1 P47223 [0,0,1,1,0,0|1,0,0]=3 1438 B9R1.110 CC(C(=O)O)C1CCC1 P49848 [0,0,1,1,0,0|0,0,0]=2 1439 B9R1.110 CC(C(=O)O)C1CCO1 Q56202 [0,0,1,1,0,0|1,0,0]=3 1440 B9R1.110 CC(C(=O)O)C1CNC1 P47100 [0,0,1,1,0,0|1,0,0]=3 1441 B9R1.110 CC(C(=O)O)C1CNC1 P47946 [0,0,1,1,0,0|1,0,0]=3 1442 B9R1.110 CC(C(=O)O)N1CCC1 P43803 [0,0,1,1,0,0|1,0,0]=3 1443 B9R1.110 NC(C(=O)O)C1CCC1 G-7603 [0,0,1,1,0,0|1,0,0]=3 1444 B9R1.110 NC(C(=O)O)C1CCC1 P48639 [0,0,1,1,0,0|1,0,0]=3 1445 B9R1.110 NC(C(=O)O)C1COC1 F-4658 [0,0,1,1,0,0|2,0,0]=4 1446 B9R1.110 N[C@@H](C(=O)O)C1CCC1 I-9625 [0,0,1,1,0,0|1,0,0]=3 1447 B9R1.110 N[C@@H](C(=O)O)C1COC1 G-7604 [0,0,1,1,0,0|2,0,0]=4 1448 B9R1.110 N[C@H](C(=O)O)C1COC1 G-7605 [0,0,1,1,0,0|2,0,0]=4 1449 B9R1.110 O=C(O)C(F)C1COC1 Q63100 [0,0,1,1,0,0|2,0,0]=4 1450 B9R1.110 O=C(O)C(O)C1CCC1 P48825 [0,0,1,1,0,0|1,0,0]=3 1451 B9R1.110 O=C(O)[C@@H](O)C1CCC1 P45090 [0,0,1,1,0,0|1,0,0]=3 1452 B9R1.110 O=C(O)[C@H](O)C1CCC1 P46146 [0,0,1,1,0,0|1,0,0]=3 1453 B9R1.112 C\C(=C/C1CC1)C(=O)O O29378 [0,0,1,1,0,0|0,0,2]=4 1454 B9R1.112 NC(=O)C(N)CC1CC1 P50523 [0,0,1,1,0,0|2,0,0]=4 1455 B9R1.112 NC(CC1CC1)C(=O)O O28074 [0,0,1,1,0,0|1,0,0]=3 1456 B9R1.112 N[C@@H](CC1CC1)C(=O)O O28950 [0,0,1,1,0,0|1,0,0]=3 1457 B9R1.112 N[C@H](CC1CC1)C(=O)O O28870 [0,0,1,1,0,0|1,0,0]=3 1458 B9R1.112 O=C(O)[C@@H](O)CC1CC1 P38965 [0,0,1,1,0,0|1,0,0]=3 1459 B9R1.112 O=C(O)[C@H](O)CC1CC1 P40522 [0,0,1,1,0,0|1,0,0]=3 1460 B9R1.33 COCC1CCCC1=O O31995 [0,0,1,1,0,0|2,0,0]=4 1461 B9R1.33 NCCN1CCOC1=O M22885 [0,0,1,1,0,0|2,0,0]=4 1462 B9R1.33 O=C1OCCC1CCBr Q69615 [0,0,1,1,0,0|1,0,0]=3 1463 B9R1.55 N[C@H]1[C@@H](C(=O)O)C[C@H]1O P45721 [0,0,1,1,0,0|2,0,0]=4 1464 B9R1.55 N[C@H]1[C@@H](O)C[C@H]1C(=O)O P46166 [0,0,1,1,0,0|2,0,0]=4 1465 B9R1.119 CCC1(C(=O)O)CCC1 P44129 [0,0,1,1,0,0|0,0,0]=2 1466 B9R1.119 CCC1(C(=O)O)CCO1 Q56228 [0,0,1,1,0,0|1,0,0]=3 1467 B9R1.119 CCC1(C(=O)O)COC1 G-6179 [0,0,1,1,0,0|1,0,0]=3 1468 B9R1.119 CNC1(C(=O)O)CCC1 P49117 [0,0,1,1,0,0|1,0,0]=3 1469 B9R1.119 CNC1(C(=O)O)COC1 Q55950 [0,0,1,1,0,0|2,0,0]=4 1470 B9R1.119 COC1(C(=O)O)CCC1 P44683 [0,0,1,1,0,0|1,0,0]=3 1471 B9R1.119 COC1(C(=O)O)CNC1 G-7398 [0,0,1,1,0,0|2,0,0]=4 1472 B9R1.119 CSC1(C(=O)O)CCC1 P45716 [0,0,1,1,0,0|1,0,0]=3 1473 B9R1.119 N#CC1(C(=O)O)CCC1 M23329 [0,0,1,1,0,0|1,0,1]=4 1474 B9R1.119 NCC1(C(=O)O)CCC1 P46413 [0,0,1,1,0,0|1,0,0]=3 1475 B9R1.119 NCC1(C(=O)O)CCC1 P48612 [0,0,1,1,0,0|1,0,0]=3 1476 B9R1.119 O=C(O)C1(CBr)CCC1 P47089 [0,0,1,1,0,0|1,0,0]=3 1477 B9R1.119 O=C(O)C1(CF)CCC1 P47879 [0,0,1,1,0,0|1,0,0]=3 1478 B9R1.119 O=C(O)C1(CF)CNC1 P49258 [0,0,1,1,0,0|2,0,0]=4 1479 B9R1.119 O=C(O)C1(CF)COC1 Q56176 [0,0,1,1,0,0|2,0,0]=4 1480 B9R1.119 O=C(O)C1(CO)CCC1 P42552 [0,0,1,1,0,0|1,0,0]=3 1481 B9R1.179 C=CCC1(C(=O)O)CC1 L22419 [0,0,1,1,0,0|0,0,2]=4 1482 B9R1.179 COCC1(C(=O)O)CC1 L14747 [0,0,1,1,0,0|1,0,0]=3 1483 B9R1.179 NCCC1(C(=O)O)CC1 L14323 [0,0,1,1,0,0|1,0,0]=3 1484 B9R1.179 NCCC1(C(=O)O)CC1 L14422 [0,0,1,1,0,0|1,0,0]=3 1485 B9R1.179 O=C(O)C1(CCCl)CC1 L22204 [0,0,1,1,0,0|1,0,0]=3 1486 B9R2.24 NC1C2CCC1CC2 P45717 [1,0,0,1,0,0|1,0,1]=4 1487 B9R2.24 O=C1C2C=CC1CC2 P45308 [1,0,0,1,0,0|0,0,2]=4 1488 B9R2.24 O=C1C2CCC1CC2 P49961 [1,0,0,1,0,0|0,0,0]=2 1489 B9R2.24 OC1C2CCC1CC2 P45884 [1,0,0,1,0,0|0,0,1]=3 1490 B9R2.47 NCC1CC2CC2C1 Q62573 [1,0,0,1,0,0|1,0,1]=4 1491 B9R2.47 O=CC1CC2CC2C1 Q57293 [1,0,0,1,0,0|0,0,0]=2 1492 B9R2.47 OC[C@@H]1C[C@@H]2O[C@@H]2C1 Q61890 [1,0,0,1,0,0|1,0,1]=4 1493 B9R2.49 C1CC2CCC1CN2 G-7237 [1,0,0,1,0,0|1,0,1]=4 1494 B9R2.49 C1CC2CCC1CN2 I-9790 [1,0,0,1,0,0|1,0,1]=4 1495 B9R2.49 C1CC2CNC1CO2 F-4826 [1,0,0,1,0,0|1,0,1]=4 1496 B9R2.49 C1CC2CNC1CO2 G-7378 [1,0,0,1,0,0|1,0,1]=4 1497 B9R2.49 C1CC2CNC1CO2 P46194 [1,0,0,1,0,0|1,0,1]=4 1498 B9R2.49 C1CC2CNC1CO2 P46621 [1,0,0,1,0,0|1,0,1]=4 1499 B9R2.49 C1CC2CNC1CO2 Q56526 [1,0,0,1,0,0|1,0,1]=4 1500 B9R2.49 C1C[C@@H]2CN[C@H]1CO2 Q57044 [1,0,0,1,0,0|1,0,1]=4 1501 B9R2.49 C1C[C@@H]2CN[C@H]1CO2 Q57045 [1,0,0,1,0,0|1,0,1]=4 1502 B9R2.49 C1C[C@H]2CN[C@@H]1CO2 Q57046 [1,0,0,1,0,0|1,0,1]=4 1503 B9R2.50 C1CC2COC2CN1 Q58396 [1,0,0,1,0,0|1,0,1]=4 1504 B9R2.50 C1CC2OCC2CN1 Q58400 [1,0,0,1,0,0|1,0,1]=4 1505 B9R2.50 C1CC[C@H]2NC[C@H]2C1 Q58793 [1,0,0,1,0,0|1,0,1]=4 1506 B9R2.53 O=C1C2CNCC1C2 O32961 [1,0,0,1,0,0|1,0,0]=3 1507 B9R2.53 O=C1C2CNCC1C2 P48314 [1,0,0,1,0,0|1,0,0]=3 1508 B9R2.53 OC1C2CNCC1C2 F-4015 [1,0,0,1,0,0|1,0,1]=4 1509 B9R2.53 OC1C2CNCC1C2 P48426 [1,0,0,1,0,0|1,0,1]=4 1510 B9R2.56 OCC12CNCC1C2 G-5073 [1,0,0,1,0,0|1,0,1]=4 1511 B9R2.56 OCC12CNCC1C2 L13302 [1,0,0,1,0,0|1,0,1]=4 1512 B9R2.56 OCC12COCC1C2 Q55609 [1,0,0,1,0,0|1,0,1]=4 1513 B9R2.56 OC[C@@]12COC[C@@H]1C2 Q62753 [1,0,0,1,0,0|1,0,1]=4 1514 B9R2.56 OC[C@]12COC[C@H]1C2 Q62752 [1,0,0,1,0,0|1,0,1]=4 1515 B9R2.65 C(=O)C1C2CCOC21 Q64152 [1,0,0,1,0,0|1,0,0]=3 1516 B9R2.65 O=C[C@@H]1[C@H]2COC[C@H]21 L13934 [1,0,0,1,0,0|1,0,0]=3 1517 B9R2.65 OCC1C2CCOC12 Q62805 [1,0,0,1,0,0|1,0,1]=4 1518 B9R2.65 OCC1C2CNCC12 G-7563 [1,0,0,1,0,0|1,0,1]=4 1519 B9R2.65 OCC1C2CNCC12 O33009 [1,0,0,1,0,0|1,0,1]=4 1520 B9R2.65 OCC1C2COCC12 F-4895 [1,0,0,1,0,0|1,0,1]=4 1521 B9R2.65 [C@@H]12CNC[C@@H]1[C@@H]2CO Q52071 [1,0,0,1,0,0|1,0,1]=4 1522 B9R2.65 [C@@H]12COC[C@@H]1C2CO H-8001 [1,0,0,1,0,0|1,0,1]=4 1523 B9R2.65 [C@@H]12COC[C@@H]1C2CO H-8002 [1,0,0,1,0,0|1,0,1]=4 1524 B9R2.68 C1NCC2CC1CO2 P45835 [1,0,0,1,0,0|1,0,1]=4 1525 B9R2.68 C1NCC2CC1CO2 P48066 [1,0,0,1,0,0|1,0,1]=4 1526 B9R2.70 OC[C@H]1NC[C@@H]2C[C@H]12 Q56916 [1,0,0,1,0,0|1,0,1]=4 1527 B9R2.70 [C@@H]12CN[C@H](CO)[C@@H]1C2 C-2899 [1,0,0,1,0,0|1,0,1]=4 1528 B9R2.70 [C@@H]12CN[C@H](CO)[C@@H]1C2 O33218 [1,0,0,1,0,0|1,0,1]=4 1529 B9R2.70 [C@H]12C[C@H]1CN[C@@H]2CO L22191 [1,0,0,1,0,0|1,0,1]=4 1530 B9R2.123 NC1C2CCCCC12 P44913 [1,0,0,1,0,0|1,0,1]=4 1531 B9R2.123 NC1C2CCCCC12 Q53099 [1,0,0,1,0,0|1,0,1]=4 1532 B9R2.174 C1CC2(CCO1)CO2 10694 [1,0,0,1,0,0|1,0,1]=4 1533 B9R2.7 O=C1CC2CNCC12 Q55051 [0,0,0,1,1,0|2,0,0]=4 1534 B9R2.39 O=C1CC2CC1CN2 P47120 [0,0,0,1,1,0|2,0,0]=4 1535 B9R2.39 O=C1CC2CC1CO2 P49791 [0,0,0,1,1,0|2,0,0]=4 1536 B9R2.39 O=C1CC2CCC1O2 P45436 [0,0,0,1,1,0|2,0,0]=4 1537 B9R2.39 O=C1CC2CNC1C2 P46610 [0,0,0,1,1,0|2,0,0]=4 1538 B9R2.39 O=C1CN2CCC1C2 P44394 [0,0,0,1,1,0|2,0,0]=4 1539 B9R2.39 O=C1C[C@@H]2CC[C@H]1C2 P45557 [0,0,0,1,1,0|1,0,0]=3 1540 B9R2.39 O=C1C[C@@H]2CC[C@H]1C2 Q52554 [0,0,0,1,1,0|1,0,0]=3 1541 B9R2.39 O=C1C[C@H]2C[C@@H]1CN2 P49261 [0,0,0,1,1,0|2,0,0]=4 1542 B9R2.39 O=C1NC2CCC1C2 P45900 [0,0,0,1,1,0|1,0,0]=3 1543 B9R2.39 O=C1OC2CCC1C2 P45453 [0,0,0,1,1,0|0,0,0]=2 1544 B9R2.39 O=C1OC2CNC1C2 L19710 [0,0,0,1,1,0|1,0,0]=3 1545 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 P45200 [0,0,0,1,1,0|1,0,0]=3 1546 B9R2.39 OC1CC2CCC1C2 P47714 [0,0,0,1,1,0|1,0,1]=4 1547 B9R2.39 O[C@H]1C[C@H]2CC[C@@H]1C2 P45404 [0,0,0,1,1,0|1,0,1]=4 1548 B9R2.39 [C@H]12CC[C@H](C1)[C@@H](O)C2 K13497 [0,0,0,1,1,0|1,0,1]=4 1549 B9R2.144 O=C(O)C12CCC1C2 Q54741 [0,0,0,1,1,0|0,0,0]=2 1550 B11R2.10 O=C1CC2CCCCN2C1 Q59334 [0,0,0,1,0,1|2,0,0]=4 1551 B11R2.10 O=C1NC2CCNCC2O1 L13907 [0,0,0,1,0,1|1,0,0]=3 1552 B11R2.10 [C@@H]12CNCC[C@@H]1CC(=O)C2 Q61208 [0,0,0,1,0,1|2,0,0]=4 1553 B11R2.433 O=C1CC2CCC(CC2)N1 P45473 [0,0,0,1,0,1|1,0,0]=3 1554 B11R2.433 O=C1CC2CCN(CC2)C1 P45576 [0,0,0,1,0,1|2,0,0]=4 1555 B11R2.433 O=C1CN2CCC(CC2)N1 D-2716 [0,0,0,1,0,1|2,0,0]=4 1556 B11R2.678 O=C1CC2CCCN(C1)C2 P45806 [0,0,0,1,0,1|2,0,0]=4 1557 B11R2.703 O=C1CC2(CCCCC2)C1 P45799 [0,0,0,1,0,1|1,0,0]=3 1558 B11R2.703 O=C1CC2(CCCNC2)C1 Q54009 [0,0,0,1,0,1|2,0,0]=4 1559 B11R2.703 O=C1CC2(CCCNC2)C1 Q54010 [0,0,0,1,0,1|2,0,0]=4 1560 B11R2.703 O=C1CC2(CCCNC2)N1 O33390 [0,0,0,1,0,1|2,0,0]=4 1561 B11R2.703 O=C1CC2(CCNCC2)C1 L14207 [0,0,0,1,0,1|2,0,0]=4 1562 B11R2.703 O=C1CC2(CCNCC2)C1 Q54007 [0,0,0,1,0,1|2,0,0]=4 1563 B11R2.703 O=C1CC2(CCNCC2)N1 O33430 [0,0,0,1,0,1|2,0,0]=4 1564 B11R2.703 O=C1CC2(CCNCC2)N1 Q58519 [0,0,0,1,0,1|2,0,0]=4 1565 B11R2.703 O=C1CC2(CCOCC2)C1 L21976 [0,0,0,1,0,1|2,0,0]=4 1566 B11R2.824 O=C(O)C1C2CCC1CC2 P45426 [0,0,0,1,0,1|0,0,0]=2 1567 B11R2.860 O=C(O)CC1C2CCOC21 Q64156 [0,0,0,1,0,1|1,0,0]=3 1568 B11R2.860 [C@@H]12COC[C@@H]1[C@H]2CC(=O)O G-7727 [0,0,0,1,0,1|1,0,0]=3 1569 B11R2.1824 CC(=O)N1C2CNCC1C2 P48041 [0,0,0,1,0,1|2,0,0]=4 1570 B11R2.1824 O=C(O)C1C2CNCC1C2 P49209 [0,0,0,1,0,1|1,0,0]=3 1571 B11R2.1824 O=C(O)C1C2CNCC1C2 P49230 [0,0,0,1,0,1|1,0,0]=3 1572 B11R2.1824 O=C(O)[C@@H]1[C@H]2CNC[C@@H]1C2 P48760 [0,0,0,1,0,1|1,0,0]=3 1573 B11R2.1824 O=C(O)[C@H]1[C@H]2CNC[C@@H]1C2 P50784 [0,0,0,1,0,1|1,0,0]=3 1574 B11R2.1852 O=C(O)C1C2CCCOC21 Q57671 [0,0,0,1,0,1|1,0,0]=3 1575 B11R2.711 O=C1NC2CCCCCC12 S72526 [0,0,0,1,0,1|1,0,0]=3 1576 B11R2.813 O=C(O)C12CC1CCCN2 K12457 [0,0,0,1,0,1|0,0,0]=2 1577 B11R2.813 O=C(O)C12CC1CCCN2 Q54941 [0,0,0,1,0,1|0,0,0]=2 1578 B11R2.813 O=C(O)C12CCCNC1C2 Q58098 [0,0,0,1,0,1|0,0,0]=2 1579 B11R2.813 O=C(O)C12CCCNC1C2 Q58099 [0,0,0,1,0,1|0,0,0]=2 1580 B11R2.813 O=C(O)C12CCNCC1C2 Q55488 [0,0,0,1,0,1|0,0,0]=2 1581 B11R2.813 O=C(O)C12CCNCC1C2 Q55489 [0,0,0,1,0,1|0,0,0]=2 1582 B11R2.813 O=C(O)C12CNCCC1C2 Q58100 [0,0,0,1,0,1|0,0,0]=2 1583 B11R2.813 O=C(O)C12CNCCC1C2 Q58101 [0,0,0,1,0,1|0,0,0]=2 1584 B11R2.813 O=C(O)[C@@]12CC1CCCN2 Q54943 [0,0,0,1,0,1|0,0,0]=2 1585 B11R2.813 O=C(O)[C@]12CNCC[C@@H]1C2 Q58092 [0,0,0,1,0,1|0,0,0]=2 1586 B11R2.813 O=C(O)[C@]12CNCC[C@@H]1C2 Q58093 [0,0,0,1,0,1|0,0,0]=2 1587 B11R2.813 O=C(O)[C@]12CNCC[C@H]1C2 Q58094 [0,0,0,1,0,1|0,0,0]=2 1588 B11R2.813 O=C(O)[C@]12CNCC[C@H]1C2 Q58095 [0,0,0,1,0,1|0,0,0]=2 1589 B11R2.813 O=C(O)[C@]12C[C@H]1CCCN2 Q54942 [0,0,0,1,0,1|0,0,0]=2 1590 B11R2.814 O=C(O)C1CC2COCC21 Q63938 [0,0,0,1,0,1|0,0,0]=2 1591 B11R2.819 O=C(O)C12CCC1CNC2 Q57371 [0,0,0,1,0,1|0,0,0]=2 1592 B11R2.819 O=C(O)C12CCC1CNC2 Q57372 [0,0,0,1,0,1|0,0,0]=2 1593 B11R2.822 [C@H]12CC[C@H]1CN[C@@H]2C(=O)O Q54445 [0,0,0,1,0,1|0,0,0]=2 1594 B11R2.822 [C@H]12CC[C@H]1CN[C@H]2C(=O)O Q53530 [0,0,0,1,0,1|0,0,0]=2 1595 B11R2.842 O=C(O)C1CC2CCC2C1 Q54737 [0,0,0,1,0,1|0,0,0]=2 1596 B11R2.842 O=C(O)[C@@H]1C[C@@H]2CC[C@@H]2N1 Q54449 [0,0,0,1,0,1|0,0,0]=2 1597 B11R2.1837 O=C(O)C1CCCC2CC21 Q63672 [0,0,0,1,0,1|0,0,0]=2 1598 B11R2.1837 O=C(O)C1CCNC2CC21 Q61181 [0,0,0,1,0,1|0,0,0]=2 1599 B11R2.1837 O=C(O)C1NCCC2CC21 K12433 [0,0,0,1,0,1|0,0,0]=2 1600 B11R2.1837 O=C(O)C1NCCC2CC21 K12433HCL [0,0,0,1,0,1|0,0,0]=2 1601 B11R2.1837 O=C(O)[C@H]1NCC[C@@H]2C[C@@H]21 Q61198 [0,0,0,1,0,1|0,0,0]=2 1602 B11R2.1837 [C@@H]12CCNC(C(=O)O)[C@@H]1C2 O33017 [0,0,0,1,0,1|0,0,0]=2 1603 B11R2.1837 [C@H]12CCNC(C(=O)O)[C@H]1C2 O33015 [0,0,0,1,0,1|0,0,0]=2 1604 B11R2.68 O=C1O[C@H]2C[C@@H]1CC[C@@H]2I P49241 [0,1,0,1,0,0|0,0,0]=2 1605 B11R2.700 [C@@H]12CN(C)C[C@@H]1[C@H]2C(=O)O Q64219 [0,1,0,1,0,0|1,0,0]=3 1606 B11R2.1839 O=C(O)C12C=CC(CC1)C2 P47988 [0,1,0,1,0,0|0,0,2]=4 1607 B11R2.1839 O=C(O)C12CCC(CC1)C2 P46810 [0,1,0,1,0,0|0,0,0]=2 1608 B11R2.1839 O=C(O)C12CCC(CC1)N2 P45745 [0,1,0,1,0,0|0,0,0]=2 1609 B11R2.1839 O=C(O)C12CCC(CC1)N2 P46955 [0,1,0,1,0,0|0,0,0]=2 1610 B11R2.1839 O=C(O)C12CCC(CN1)C2 P49764 [0,1,0,1,0,0|1,0,0]=3 1611 B11R2.1839 O=C(O)C12CCN(CC1)C2 P44543 [0,1,0,1,0,0|1,0,0]=3 1612 B11R2.1839 O=C(O)C12CC[C@@H](C1)NC2 P49331 [0,1,0,1,0,0|1,0,0]=3 1613 B11R2.1839 O=C(O)C12CC[C@H](C1)NC2 P49329 [0,1,0,1,0,0|1,0,0]=3 1614 B11R2.1839 O=C(O)C12CN[C@H](CN1)C2 P46245 [0,1,0,1,0,0|2,0,0]=4 1615 B11R2.1839 O=C(O)C12COC(CN1)C2 P46835 [0,1,0,1,0,0|2,0,0]=4 1616 B11R2.1839 O=C(O)[C@@]12CC[C@@H](CN1)C2 P44537 [0,1,0,1,0,0|1,0,0]=3 1617 B11R2.1839 O=C(O)[C@@]12CC[C@@H](CN1)C2 P49631 [0,1,0,1,0,0|1,0,0]=3 1618 B11R2.1839 O=C(O)[C@]12CC[C@H](CN1)C2 P44536 [0,1,0,1,0,0|1,0,0]=3 1619 B11R2.1839 O=C(O)[C@]12CC[C@H](CN1)C2 P49630 [0,1,0,1,0,0|1,0,0]=3 1620 B11R2.1 NC1COC2CCCCC12 L20165 [0,1,0,1,0,0|1,0,1]=4 1621 B11R2.1 O=C1NCC2CNCCC12 Q55530 [0,1,0,1,0,0|2,0,0]=4 1622 B11R2.1 O=C1NCC2CNCCC12 Q55531 [0,1,0,1,0,0|2,0,0]=4 1623 B11R2.1 O=C1NCC2COCCC12 Q53476 [0,1,0,1,0,0|2,0,0]=4 1624 B11R2.1 O=C1NC[C@H]2NCCC[C@@H]12 Q57343 [0,1,0,1,0,0|2,0,0]=4 1625 B11R2.1 O=C1OCC2CNCCN12 10634 [0,1,0,1,0,0|2,0,0]=4 1626 B11R2.1 O=C1OCC2CNCCN12 S72830 [0,1,0,1,0,0|2,0,0]=4 1627 B11R2.1 O=C1OC[C@@H]2CNCCN12 L13774 [0,1,0,1,0,0|2,0,0]=4 1628 B11R2.1 O=C1OC[C@H]2CNCCN12 L13765 [0,1,0,1,0,0|2,0,0]=4 1629 B11R2.1 [C@@H]12CCNC[C@@H]1C(=O)NC2 G-5540 [0,1,0,1,0,0|2,0,0]=4 1630 B11R2.1 [C@H]12CCNC[C@H]1C(=O)NC2 Q56332 [0,1,0,1,0,0|2,0,0]=4 1631 B11R2.1 [C@H]12CNCCN1C(=O)OC2 Q54668 [0,1,0,1,0,0|2,0,0]=4 1632 B11R2.12 O=C1CCC12CCCCC2 P45800 [0,1,0,1,0,0|1,0,0]=3 1633 B11R2.12 O=C1NCC12CCCNC2 P48296 [0,1,0,1,0,0|2,0,0]=4 1634 B11R2.12 O=C1NCC12CCNCC2 L14192 [0,1,0,1,0,0|2,0,0]=4 1635 B11R2.12 OC1CCC12CCCCC2 P45421 [0,1,0,1,0,0|1,0,1]=4 1636 B11R2.13 N#CC1OC12CCCCC2 O30763 [0,1,0,1,0,0|1,0,1]=4 1637 B11R2.895 COC(=O)C12CC1CCN2 Q59294 [0,1,0,1,0,0|1,0,0]=3 1638 B11R2.895 COC(=O)C12CNCC1C2 L22096 [0,1,0,1,0,0|1,0,0]=3 1639 B11R2.895 COC(=O)C12CNCC1C2 Q55447 [0,1,0,1,0,0|1,0,0]=3 1640 B11R2.895 COC(=O)[C@]12CC1CCN2 Q59298 [0,1,0,1,0,0|1,0,0]=3 1641 B11R2.895 COC(=O)[C@]12C[C@H]1CCN2 Q57454 [0,1,0,1,0,0|1,0,0]=3 1642 B11R2.905 COC(=O)C1C2CCCC21 Q59606 [0,1,0,1,0,0|0,0,0]=2 1643 B11R2.905 COC(=O)C1C2CCOC21 Q64158 [0,1,0,1,0,0|1,0,0]=3 1644 B11R2.905 [C@@H]12CCO[C@@H]1[C@@H]2C(=O)OC Q64160 [0,1,0,1,0,0|1,0,0]=3 1645 B11R2.905 [C@@H]12CCO[C@@H]1[C@H]2C(=O)OC Q64159 [0,1,0,1,0,0|1,0,0]=3 1646 B11R2.905 [C@@H]12CNC[C@@H]1[C@H]2C(=O)OC L14189 [0,1,0,1,0,0|1,0,0]=3 1647 B11R2.911 COC(=O)[C@@H]1NC[C@H]2C[C@H]21 Q56648 [0,1,0,1,0,0|1,0,0]=3 1648 B11R2.911 COC(=O)[C@H]1NC[C@H]2C[C@H]21 L22487 [0,1,0,1,0,0|1,0,0]=3 1649 B11R2.914 COC(=O)C1CC2CC2C1 Q52111 [0,1,0,1,0,0|0,0,0]=2 1650 B11R2.914 COC(=O)C1CC2OC2C1 L14021 [0,1,0,1,0,0|1,0,0]=3 1651 B11R2.914 COC(=O)[C@H]1C[C@@H]2O[C@@H]2C1 L22442 [0,1,0,1,0,0|1,0,0]=3 1652 B11R2.845 CC(=O)C1CC2CCC1O2 P48723 [0,1,0,1,0,0|1,0,0]=3 1653 B11R2.845 N=C(N)C1CC2CCC1C2 P45455 [0,1,0,1,0,0|2,0,0]=4 1654 B11R2.845 O=C(Cl)C1CC2CCC1C2 P45712 [0,1,0,1,0,0|1,0,0]=3 1655 B11R2.845 O=C(O)C1CC2CCC1O2 P46492 [0,1,0,1,0,0|0,0,0]=2 1656 B11R2.845 O=C(O)C1CC2CNC1C2 L14492 [0,1,0,1,0,0|1,0,0]=3 1657 B11R2.845 O=C(O)C1CC2CNC1C2 P48077 [0,1,0,1,0,0|1,0,0]=3 1658 B11R2.845 O=C(O)C1C[C@@H]2CC[C@H]1C2 P44646 [0,1,0,1,0,0|0,0,0]=2 1659 B11R2.845 O=C(O)C1NC2CCC1C2 P44975 [0,1,0,1,0,0|1,0,0]=3 1660 B11R2.845 O=C(O)[C@@H]1C[C@@H]2CC[C@H]1O2 P45672 [0,1,0,1,0,0|0,0,0]=2 1661 B11R2.845 O=C(O)[C@@H]1C[C@H]2CCN1C2 P44842 [0,1,0,1,0,0|1,0,0]=3 1662 B11R2.845 O=C(O)[C@@H]1C[C@H]2CC[C@@H]1C2 P45883 [0,1,0,1,0,0|0,0,0]=2 1663 B11R2.845 O=C(O)[C@@H]1C[C@H]2CC[C@@H]1O2 P49910 [0,1,0,1,0,0|0,0,0]=2 1664 B11R2.845 O=C(O)[C@@H]1N[C@H]2CC[C@@H]1C2 L18185 [0,1,0,1,0,0|1,0,0]=3 1665 B11R2.845 O=C(O)[C@@H]1N[C@H]2CC[C@@H]1C2 P45600 [0,1,0,1,0,0|1,0,0]=3 1666 B11R2.845 O=C(O)[C@H]1C[C@@H]2CC[C@H]1C2 P45173 [0,1,0,1,0,0|0,0,0]=2 1667 B11R2.845 O=C(O)[C@H]1C[C@@H]2CC[C@H]1O2 P45671 [0,1,0,1,0,0|0,0,0]=2 1668 B11R2.845 O=C(O)[C@H]1C[C@H]2CCN1C2 P44841 [0,1,0,1,0,0|1,0,0]=3 1669 B11R2.845 O=C(O)[C@H]1C[C@H]2CC[C@@H]1C2 P44808 [0,1,0,1,0,0|0,0,0]=2 1670 B11R2.845 O=C(O)[C@H]1N[C@@H]2CC[C@H]1C2 L21485 [0,1,0,1,0,0|1,0,0]=3 1671 B11R2.845 O=C(O)[C@H]1N[C@@H]2CC[C@H]1C2 P44679 [0,1,0,1,0,0|1,0,0]=3 1672 B11R2.411 CN1CC2CC2(C(=O)O)C1 Q52369 [0,1,0,1,0,0|1,0,0]=3 1673 B11R2.530 [C@@H]12C(=O)CC[C@@H]1[C@H]2C(=O)O Q63964 [0,1,0,1,0,0|0,0,1]=3 1674 B11R2.530 [C@@H]12CCC(=O)[C@@H]1[C@H]2C(=O)O Q63962 [0,1,0,1,0,0|0,0,1]=3 1675 B11R2.530 [C@@H]12CCC(=O)[C@@H]1[C@H]2C(=O)O Q63963 [0,1,0,1,0,0|0,0,1]=3 1676 B11R2.846 CC(=O)N1CC2CC(C1)N2 P48867 [0,1,0,1,0,0|2,0,0]=4 1677 B11R2.1826 O=C(O)C12CC(CCN1)C2 L13412 [0,1,0,1,0,0|1,0,0]=3 1678 B11R2.1826 O=C(O)C12CC(CCN1)C2 P49681 [0,1,0,1,0,0|1,0,0]=3 1679 B11R2.1826 O=C(O)C12CCCC(C1)C2 P44877 [0,1,0,1,0,0|0,0,0]=2 1680 B7R1.1 CNC1CCCC1 P36274 [1,0,0,0,1,0|2,0,0]=4 1681 B7R1.1 ICC1CCCC1 P39098 [1,0,0,0,1,0|1,0,1]=4 1682 B7R1.1 NCC1CCCC1 F-4714 [1,0,0,0,1,0|1,0,1]=4 1683 B7R1.1 NCC1CCCC1 L14012 [1,0,0,0,1,0|1,0,1]=4 1684 B7R1.1 NNC1CCCC1 O31761 [1,0,0,0,1,0|2,0,0]=4 1685 B7R1.1 O=CC1=CCCC1 O33977 [1,0,0,0,1,0|0,0,2]=4 1686 B7R1.1 OCC1CCNC1 C-2924 [1,0,0,0,1,0|1,0,1]=4 1687 B7R1.1 OCC1CCNC1 L13610 [1,0,0,0,1,0|1,0,1]=4 1688 B7R1.1 OCC1CCOC1 C-3387 [1,0,0,0,1,0|1,0,1]=4 1689 B7R1.1 OC[C@@H]1CCCO1 O32723 [1,0,0,0,1,0|1,0,1]=4 1690 B7R1.1 OC[C@@H]1CCNC1 G-6083 [1,0,0,0,1,0|1,0,1]=4 1691 B7R1.1 OC[C@@H]1CCNC1 L13662 [1,0,0,0,1,0|1,0,1]=4 1692 B7R1.1 OC[C@@H]1CCOC1 C-2787 [1,0,0,0,1,0|1,0,1]=4 1693 B7R1.1 OC[C@H]1CCNC1 G-6082 [1,0,0,0,1,0|1,0,1]=4 1694 B7R1.1 OC[C@H]1CCNC1 L14041 [1,0,0,0,1,0|1,0,1]=4 1695 B7R1.1 OC[C@H]1CCOC1 C-2788 [1,0,0,0,1,0|1,0,1]=4 1696 B7R1.18 CC(=O)C1CCC1 Q54751 [0,0,0,0,2,0|1,0,0]=3 1697 B7R1.18 CC(=O)C1CNC1 P44065 [0,0,0,0,2,0|2,0,0]=4 1698 B7R1.18 CC(=O)C1CNC1 P48871 [0,0,0,0,2,0|2,0,0]=4 1699 B7R1.18 CC(=O)C1CNC1 P48872 [0,0,0,0,2,0|2,0,0]=4 1700 B7R1.18 CC(=O)C1COC1 Q56096 [0,0,0,0,2,0|2,0,0]=4 1701 B7R1.18 CC(=O)N1CCC1 P45596 [0,0,0,0,2,0|2,0,0]=4 1702 B7R1.18 CC(O)C1CCC1 P45236 [0,0,0,0,2,0|1,0,1]=4 1703 B7R1.18 C[C@H](O)C1CCC1 P47847 [0,0,0,0,2,0|1,0,1]=4 1704 B7R1.18 N=C(N)C1CCC1 G-7205 [0,0,0,0,2,0|2,0,0]=4 1705 B7R1.18 NC(=O)C1CCC1 O34470 [0,0,0,0,2,0|1,0,0]=3 1706 B7R1.18 NC(=O)C1CCN1 O28301 [0,0,0,0,2,0|2,0,0]=4 1707 B7R1.18 NC(=O)C1CNC1 C-2241 [0,0,0,0,2,0|2,0,0]=4 1708 B7R1.18 NC(=O)C1CNC1 L21539 [0,0,0,0,2,0|2,0,0]=4 1709 B7R1.18 NC(=O)N1CCC1 P45464 [0,0,0,0,2,0|2,0,0]=4 1710 B7R1.18 NC(=S)C1CCC1 P47843 [0,0,0,0,2,0|1,1,0]=4 1711 B7R1.18 O=C(O)C1CCN1 B-1112 [0,0,0,0,2,0|1,0,0]=3 1712 B7R1.18 O=C(O)C1CCO1 D-2702 [0,0,0,0,2,0|1,0,0]=3 1713 B7R1.18 O=C(O)C1CNC1 A-422 [0,0,0,0,2,0|1,0,0]=3 1714 B7R1.18 O=C(O)C1CNC1 P42961 [0,0,0,0,2,0|1,0,0]=3 1715 B7R1.18 O=C(O)C1COC1 A-970 [0,0,0,0,2,0|1,0,0]=3 1716 B7R1.18 O=C(O)C1CSC1 H-8019 [0,0,0,0,2,0|1,0,0]=3 1717 B7R1.18 O=C(O)[C@@H]1CCN1 B-1110 [0,0,0,0,2,0|1,0,0]=3 1718 B7R1.18 O=C(O)[C@@H]1CCN1 P46195 [0,0,0,0,2,0|1,0,0]=3 1719 B7R1.18 O=C(O)[C@@H]1CCO1 Q62698 [0,0,0,0,2,0|1,0,0]=3 1720 B7R1.18 O=C(O)[C@H]1CCN1 B-1109 [0,0,0,0,2,0|1,0,0]=3 1721 B7R1.18 O=C(O)[C@H]1CCN1 P45364 [0,0,0,0,2,0|1,0,0]=3 1722 B7R1.18 O=C(O)[C@H]1CCO1 Q62699 [0,0,0,0,2,0|1,0,0]=3 1723 B7R1.18 OB(O)C1CCC1 P45097 [0,0,0,0,2,0|1,0,1]=4 1724 B9R1.89 COC1CCCNCC1 C-2753 [1,0,0,0,0,1|2,0,0]=4 1725 B9R1.89 COC1CCCNCC1 C-2753-1 [1,0,0,0,0,1|2,0,0]=4 1726 B9R1.89 N#CC1CCCNCC1 L14395 [1,0,0,0,0,1|1,0,1]=4 1727 B9R1.89 OCC1CCCCNC1 I-9580 [1,0,0,0,0,1|0,0,1]=3 1728 B11R1.91 CC(=O)NCC1CCNCC1 Q53352 [0,0,0,0,0,2|2,0,0]=4 1729 B11R1.91 NC(=O)NCC1CCCCN1 Q60027 [0,0,0,0,0,2|2,0,0]=4 1730 B11R1.91 NC(=O)NCC1CCNCC1 Q60028 [0,0,0,0,0,2|2,0,0]=4 1731 B11R1.91 NC(=O)NCC1CCNCC1 Q60029 [0,0,0,0,0,2|2,0,0]=4 1732 B11R1.91 O=C(Cl)OCC1CCOCC1 L19743 [0,0,0,0,0,2|2,0,0]=4 1733 B11R1.91 O=C(O)C#CC1CCOCC1 Q57820 [0,0,0,0,0,2|1,0,0]=3 1734 B11R1.91 O=C(O)CCC1CCCCN1 S72480 [0,0,0,0,0,2|1,0,0]=3 1735 B11R1.91 O=C(O)CCC1CCCOC1 Q57648 [0,0,0,0,0,2|1,0,0]=3 1736 B11R1.91 O=C(O)CCC1CCNCC1 P37756 [0,0,0,0,0,2|1,0,0]=3 1737 B11R1.91 O=C(O)CCC1CCOCC1 Q52716 [0,0,0,0,0,2|1,0,0]=3 1738 B11R1.91 O=C(O)CCC1CNCCO1 P41498 [0,0,0,0,0,2|2,0,0]=4 1739 B11R1.91 O=C(O)CCN1CCOCC1 P36933 [0,0,0,0,0,2|2,0,0]=4 1740 B11R1.91 O=C(O)CNC1CCNCC1 Q57556 [0,0,0,0,0,2|1,0,0]=3 1741 B11R1.91 O=C(O)CNC1CCOCC1 P35022 [0,0,0,0,0,2|1,0,0]=3 1742 B11R1.91 O=C(O)COC1CCCCC1 P36437 [0,0,0,0,0,2|0,0,0]=2 1743 B11R1.91 O=C(O)COC1CCOCC1 P40856 [0,0,0,0,0,2|1,0,0]=3 1744 B11R1.91 O=C(O)\C=C\C1CCCCC1 O30307 [0,0,0,0,0,2|0,0,0]=2 1745 B11R1.742 O=C(O)CC1CCCCCC1 P38069 [0,0,0,0,0,2|0,0,0]=2