0 B8R1.22 BrC1CCCCCC1 P39447 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.22 CC1CCNCCN1 L14127 [0,0,0,0,0,0|2,0,1]=3 2 B8R1.22 FC1CCCNCC1 L18431 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.22 O=C1CCCNCC1 A-576 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.22 O=C1CCNCCN1 Q52595 [0,0,0,0,0,0|1,0,0]=1 5 B8R1.22 O=C1CNCCCN1 O34379 [0,0,0,0,0,0|1,0,0]=1 6 B8R1.22 O=C1CNCCNC1 P46870 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.24 C1CNCCOC1 O28784 [1,0,0,0,0,0|1,0,1]=3 8 B9R1.5 CN1CCCNCC1=O G-7681 [0,1,0,0,0,0|1,0,0]=2 9 B9R1.5 CN1CCCNCC1=O O34334 [0,1,0,0,0,0|1,0,0]=2 10 B9R1.5 N[C@@H]1CCCCNC1=O O34511 [0,1,0,0,0,0|0,0,0]=1 11 B9R1.5 N[C@H]1CCCCNC1=O F-4004 [0,1,0,0,0,0|0,0,0]=1 12 B9R1.5 N[C@H]1CCCCNC1=O O34512 [0,1,0,0,0,0|0,0,0]=1 13 B9R1.48 CC1CC(=O)NCCN1 G-6003 [0,1,0,0,0,0|1,0,0]=2 14 B9R1.48 NC1CCCNC(=O)C1 S72677 [0,1,0,0,0,0|0,0,0]=1 15 B9R1.48 O=C1CCCNC(=O)C1 M15285 [0,1,0,0,0,0|0,0,1]=2 16 B9R1.49 CN1CCCC(N)CC1 C-2203 [0,1,0,0,0,0|3,0,0]=4 17 B9R1.49 CN1CCNC(=O)CC1 O34314 [0,1,0,0,0,0|1,0,0]=2 18 B7R0.1 C#CCCCCCI Q66056 [0,0,1,0,0,0|2,0,1]=4 19 B7R0.1 C#CCNCCCN P36031 [0,0,1,0,0,0|2,0,1]=4 20 B7R0.1 CCCCOCCN P36925 [0,0,1,0,0,0|2,0,1]=4 21 B7R0.1 COCCOCCN P38878 [0,0,1,0,0,0|3,0,0]=4 22 B7R0.1 NCCCOCCO P34738 [0,0,1,0,0,0|1,0,2]=4 23 B7R0.1 O=CCCCCCCl O30105 [0,0,1,0,0,0|1,0,0]=2 24 B7R0.1 [N-]=[N+]=NCCCCN P41887 [0,0,1,0,0,0|3,0,0]=4 25 B7R0.3 CCCNC(=O)CN P36648 [0,0,1,0,0,0|1,0,0]=2 26 B7R0.3 CC\C=C\C(=O)OC Q70108 [0,0,1,0,0,0|1,0,2]=4 27 B7R0.3 CNC(=O)CCCN P40550 [0,0,1,0,0,0|1,0,0]=2 28 B7R0.3 CNCCC(=O)NC P37767 [0,0,1,0,0,0|1,0,0]=2 29 B7R0.3 CNCCC(=O)OC P36826 [0,0,1,0,0,0|2,0,0]=3 30 B7R0.4 CC(=O)NCCCN P38199 [0,0,1,0,0,0|1,0,0]=2 31 B7R0.4 CNCCNC(C)=O P41559 [0,0,1,0,0,0|1,0,0]=2 32 B7R0.4 COCCCC(=O)O P39031 [0,0,1,0,0,0|2,0,0]=3 33 B7R0.4 NCCNCC(=O)O O28634 [0,0,1,0,0,0|3,0,0]=4 34 B7R0.4 NCCOCC(=O)O P35961 [0,0,1,0,0,0|3,0,0]=4 35 B7R0.7 CCNC(=O)CC#N P41076 [0,0,1,0,0,0|1,0,1]=3 36 B7R0.7 CCNC(=O)CCN P36830 [0,0,1,0,0,0|1,0,0]=2 37 B7R0.7 CCNC(=O)CNC P35209 [0,0,1,0,0,0|1,0,0]=2 38 B7R0.7 CCNC(=O)CNC P39556 [0,0,1,0,0,0|1,0,0]=2 39 B7R0.7 CCOC(=O)CCI P36879 [0,0,1,0,0,0|2,0,0]=3 40 B7R0.7 CCOC(=O)NCO Q69358 [0,0,1,0,0,0|2,0,0]=3 41 B9R2.6 NC12CCCCC1C2 P46405 [0,0,0,1,0,0|2,0,1]=4 42 B9R2.6 NC12CCCCC1C2 Q65216 [0,0,0,1,0,0|2,0,1]=4 43 B9R2.7 O=C1CC2CC=CC12 Q56018 [0,0,0,1,0,0|1,0,2]=4 44 B9R2.7 O=C1CC2CNCC12 Q55051 [0,0,0,1,0,0|2,0,0]=3 45 B9R2.21 O=C1CC2CC2CN1 Q53445 [0,0,0,1,0,0|0,0,0]=1 46 B9R2.21 O=C1CCC2CC2N1 Q53446 [0,0,0,1,0,0|0,0,0]=1 47 B9R2.33 O=C1CC2CCC2C1 Q54738 [0,0,0,1,0,0|1,0,0]=2 48 B9R2.33 O=C1NC2CCC2O1 Q58026 [0,0,0,1,0,0|1,0,0]=2 49 B9R2.52 C1CCC2CC2NC1 Q58075 [0,0,0,1,0,0|1,0,1]=3 50 B9R2.68 C1CC2CC(CN2)N1 P50121 [0,0,0,1,0,0|2,0,1]=4 51 B9R2.68 C1CC2CCC(C1)N2 G-5152 [0,0,0,1,0,0|2,0,1]=4 52 B9R2.68 C1CC2CCC(C1)N2 P44257 [0,0,0,1,0,0|2,0,1]=4 53 B9R2.68 C1CN2CCC(C2)N1 I-9000 [0,0,0,1,0,0|2,0,1]=4 54 B9R2.68 C1CN2CCC(C2)N1 P45524 [0,0,0,1,0,0|2,0,1]=4 55 B9R2.68 C1CN2CC[C@@H](C2)N1 P44954 [0,0,0,1,0,0|2,0,1]=4 56 B9R2.68 C1CN2CC[C@@H](C2)N1 P44955 [0,0,0,1,0,0|2,0,1]=4 57 B9R2.68 C1CN2CC[C@H](C2)N1 P45076 [0,0,0,1,0,0|2,0,1]=4 58 B9R2.68 [C@H]12CCN(CCN1)C2 G-7373 [0,0,0,1,0,0|2,0,1]=4 59 B9R2.109 NC1CCCC2CC12 Q63668 [0,0,0,1,0,0|2,0,1]=4 60 B9R2.109 NC1CCCC2CC12 Q63669 [0,0,0,1,0,0|2,0,1]=4 61 B9R2.109 N[C@@H]1CCC[C@H]2C[C@H]21 Q63670 [0,0,0,1,0,0|2,0,1]=4 62 B9R2.109 N[C@H]1CCC[C@H]2C[C@@H]12 Q63671 [0,0,0,1,0,0|2,0,1]=4 63 B9R2.109 O=C1CCCC2CC12 H-8032 [0,0,0,1,0,0|1,0,0]=2 64 B9R2.109 O=C1CCCC2OC12 10693 [0,0,0,1,0,0|2,0,0]=3 65 B9R2.109 O=C1COCC2CC12 Q63936 [0,0,0,1,0,0|2,0,0]=3 66 B9R2.109 O=C1NCCC2CC12 Q61174 [0,0,0,1,0,0|0,0,0]=1 67 B9R2.109 OC1CCCC2CC12 Q63664 [0,0,0,1,0,0|1,0,2]=4 68 B9R2.109 O[C@@H]1CCC[C@@H]2C[C@H]12 Q63667 [0,0,0,1,0,0|1,0,2]=4 69 B9R2.109 O[C@H]1CCC[C@H]2C[C@@H]12 Q63665 [0,0,0,1,0,0|1,0,2]=4 70 B9R2.109 O[C@H]1CCC[C@H]2C[C@@H]12 Q63666 [0,0,0,1,0,0|1,0,2]=4 71 B9R2.123 NC1C2CCCCC12 P44913 [0,0,0,1,0,0|2,0,1]=4 72 B9R2.123 NC1C2CCCCC12 Q53099 [0,0,0,1,0,0|2,0,1]=4 73 B7R1.3 BrC1=CCCCC1 N24288 [0,0,0,0,1,0|1,0,1]=3 74 B7R1.3 BrC1=CCCNC1 Q65300 [0,0,0,0,1,0|2,0,1]=4 75 B7R1.3 BrC1CCCNC1 H-8368 [0,0,0,0,1,0|2,0,1]=4 76 B7R1.3 BrC1CCCOC1 O33555 [0,0,0,0,1,0|2,0,1]=4 77 B7R1.3 BrC1CCOCC1 C-3420 [0,0,0,0,1,0|2,0,1]=4 78 B7R1.3 C=C1CCCNC1 Q59836 [0,0,0,0,1,0|2,0,0]=3 79 B7R1.3 C=C1CCCOC1 Q54979 [0,0,0,0,1,0|2,0,0]=3 80 B7R1.3 C=C1CCNCC1 H-8338 [0,0,0,0,1,0|2,0,0]=3 81 B7R1.3 C=C1CCNCC1 Q55164 [0,0,0,0,1,0|2,0,0]=3 82 B7R1.3 C=C1CCOCC1 L13714 [0,0,0,0,1,0|2,0,0]=3 83 B7R1.3 CC1=CCCNC1 I-9121 [0,0,0,0,1,0|2,0,1]=4 84 B7R1.3 CC1=CCNCC1 I-9119 [0,0,0,0,1,0|2,0,1]=4 85 B7R1.3 CC1COCCN1 B-1060 [0,0,0,0,1,0|2,0,1]=4 86 B7R1.3 CC1COCCN1 O28936 [0,0,0,0,1,0|2,0,1]=4 87 B7R1.3 C[C@@H]1CCCCN1 P40572 [0,0,0,0,1,0|1,0,1]=3 88 B7R1.3 C[C@@H]1CCCNC1 Q55825 [0,0,0,0,1,0|2,0,1]=4 89 B7R1.3 C[C@@H]1COCCN1 B-1058 [0,0,0,0,1,0|2,0,1]=4 90 B7R1.3 C[C@@H]1COCCN1 P34848 [0,0,0,0,1,0|2,0,1]=4 91 B7R1.3 C[C@H]1CCCCN1 P38855 [0,0,0,0,1,0|1,0,1]=3 92 B7R1.3 C[C@H]1CCCCN1 Q54716 [0,0,0,0,1,0|1,0,1]=3 93 B7R1.3 C[C@H]1CCCNC1 Q55824 [0,0,0,0,1,0|2,0,1]=4 94 B7R1.3 C[C@H]1COCCN1 B-1059 [0,0,0,0,1,0|2,0,1]=4 95 B7R1.3 C[C@H]1COCCN1 P42980 [0,0,0,0,1,0|2,0,1]=4 96 B7R1.3 ClC1CCCOC1 Q57646 [0,0,0,0,1,0|2,0,1]=4 97 B7R1.3 FC1CCCNC1 C-2254 [0,0,0,0,1,0|2,0,1]=4 98 B7R1.3 F[C@@H]1CCCNC1 G-5231 [0,0,0,0,1,0|2,0,1]=4 99 B7R1.3 F[C@H]1CCCNC1 C-2765 [0,0,0,0,1,0|2,0,1]=4 100 B7R1.3 IC1CCOCC1 C-3266 [0,0,0,0,1,0|2,0,1]=4 101 B7R1.3 N=C1NCCCO1 L19177 [0,0,0,0,1,0|2,0,0]=3 102 B7R1.3 NC1=NCCCN1 M15172 [0,0,0,0,1,0|2,0,0]=3 103 B7R1.3 NC1CCCOC1 I-9177 [0,0,0,0,1,0|2,0,1]=4 104 B7R1.3 NC1CCCOC1 Q56350 [0,0,0,0,1,0|2,0,1]=4 105 B7R1.3 NC1CCOCC1 B-1768 [0,0,0,0,1,0|2,0,1]=4 106 B7R1.3 NC1CCOCC1 G-5110 [0,0,0,0,1,0|2,0,1]=4 107 B7R1.3 NC1CCSCC1 O33298 [0,0,0,0,1,0|2,0,1]=4 108 B7R1.3 N[C@@H]1CCCNC1 I-9160 [0,0,0,0,1,0|2,0,1]=4 109 B7R1.3 N[C@@H]1CCCOC1 I-9746 [0,0,0,0,1,0|2,0,1]=4 110 B7R1.3 O=C1C=CCCN1 O34600 [0,0,0,0,1,0|0,0,2]=3 111 B7R1.3 O=C1C=CCOC1 L22520 [0,0,0,0,1,0|1,0,2]=4 112 B7R1.3 O=C1C=COCC1 Q54629 [0,0,0,0,1,0|1,0,2]=4 113 B7R1.3 O=C1CC=CCC1 Q53604 [0,0,0,0,1,0|0,0,2]=3 114 B7R1.3 O=C1CCCNC1 A-184 [0,0,0,0,1,0|1,0,0]=2 115 B7R1.3 O=C1CCCOC1 G-6070 [0,0,0,0,1,0|1,0,0]=2 116 B7R1.3 O=C1CCCSC1 G-5937 [0,0,0,0,1,0|1,0,0]=2 117 B7R1.3 O=C1CCOCC1 B-1770 [0,0,0,0,1,0|1,0,0]=2 118 B7R1.3 O=C1CCSCC1 C-2949 [0,0,0,0,1,0|1,0,0]=2 119 B7R1.3 O=C1CNCCO1 O28295 [0,0,0,0,1,0|2,0,0]=3 120 B7R1.3 O=C1COCCN1 B-1038 [0,0,0,0,1,0|1,0,0]=2 121 B7R1.3 O=C1OCCCO1 P43743 [0,0,0,0,1,0|2,0,0]=3 122 B7R1.3 OC1CCCOC1 G-6220 [0,0,0,0,1,0|1,0,2]=4 123 B7R1.3 OC1CCNCC1 Q52555 [0,0,0,0,1,0|1,0,2]=4 124 B7R1.3 OC1CCOCC1 B-1769 [0,0,0,0,1,0|1,0,2]=4 125 B7R1.3 OC1CCSCC1 Q69934 [0,0,0,0,1,0|1,0,2]=4 126 B7R1.3 O[C@@H]1CCCNC1 K12060 [0,0,0,0,1,0|1,0,2]=4 127 B7R1.3 O[C@@H]1CCCOC1 P44487 [0,0,0,0,1,0|1,0,2]=4 128 B7R1.3 O[C@H]1CCCNC1 K12075 [0,0,0,0,1,0|1,0,2]=4 129 B7R1.3 O[C@H]1CCCNC1 L13549 [0,0,0,0,1,0|1,0,2]=4 130 B7R1.3 O[C@H]1CCCOC1 P51230 [0,0,0,0,1,0|1,0,2]=4 131 B7R1.3 SC1CCCNC1 L21541 [0,0,0,0,1,0|1,1,1]=4 132 B7R1.3 SC1CCCOC1 Q57701 [0,0,0,0,1,0|1,1,1]=4 133 B7R1.3 SC1CCNCC1 I-9049 [0,0,0,0,1,0|1,1,1]=4 134 B6R0.6 C#CCCCCN O31570 [1,0,1,0,0,0|0,0,2]=4 135 B6R0.6 CNCCCCN L19491 [1,0,1,0,0,0|1,0,1]=4 136 B6R0.6 CNCCCOC P37437 [1,0,1,0,0,0|1,0,1]=4 137 B6R0.6 COCCCCN O29739 [1,0,1,0,0,0|1,0,1]=4 138 B6R0.6 NCCOCCN P39125 [1,0,1,0,0,0|2,0,0]=4 139 B6R0.1 CCC(=O)CC#N P38761 [1,0,1,0,0,0|1,0,1]=4 140 B6R0.1 CCNC(=O)CN P39222 [1,0,1,0,0,0|1,0,0]=3 141 B6R0.1 CCNC(=O)CO O31312 [1,0,1,0,0,0|1,0,0]=3 142 B6R0.1 CCNC(=O)NC M15284 [1,0,1,0,0,0|1,0,0]=3 143 B6R0.1 CNC(=O)CCCl P38167 [1,0,1,0,0,0|1,0,0]=3 144 B6R0.1 CNC(=O)CCN P37692 [1,0,1,0,0,0|1,0,0]=3 145 B6R0.1 CNCC(=O)NC P37691 [1,0,1,0,0,0|1,0,0]=3 146 B6R0.1 CNCC(=O)NC P38046 [1,0,1,0,0,0|1,0,0]=3 147 B6R0.4 C#CCNC(C)=O P36776 [1,0,1,0,0,0|0,0,2]=4 148 B6R0.4 CCNCC(=O)O P37534 [1,0,1,0,0,0|2,0,0]=4 149 B6R0.4 CCNCC(N)=O P36580 [1,0,1,0,0,0|1,0,0]=3 150 B6R0.4 CNCCC(=O)O P36779 [1,0,1,0,0,0|2,0,0]=4 151 B6R0.4 CNCCC(=O)O P39205 [1,0,1,0,0,0|2,0,0]=4 152 B6R0.4 CNCCC(N)=O P37896 [1,0,1,0,0,0|1,0,0]=3 153 B8R0.4 NCCCCCCCO P40165 [0,1,1,0,0,0|0,0,2]=4 154 B8R0.4 [N-]=[N+]=NCCCCCN P41116 [0,1,1,0,0,0|2,0,0]=4 155 B8R0.4 [N-]=[N+]=NCCCCCN P41453 [0,1,1,0,0,0|2,0,0]=4 156 B8R0.7 C#CCCCCC(=O)O P38906 [0,1,1,0,0,0|1,0,1]=4 157 B8R0.7 CN(C)CCCCCN P38845 [0,1,1,0,0,0|2,0,0]=4 158 B8R0.7 CNCCCCC(=O)O P35932 [0,1,1,0,0,0|2,0,0]=4 159 B8R0.7 CNCCCNC(C)=O P37409 [0,1,1,0,0,0|1,0,0]=3 160 B8R0.7 NCCCCNC(N)=O L20055 [0,1,1,0,0,0|1,0,0]=3 161 B8R0.7 NCCOCCC(=O)O P41214 [0,1,1,0,0,0|1,0,0]=3 162 B8R0.3 CCCC(N)C(=O)OC P43113 [0,1,1,0,0,0|1,0,0]=3 163 B8R0.8 CC(C)C(=O)NCCN P37576 [0,1,1,0,0,0|1,0,0]=3 164 B8R0.8 CNCCC(=O)N(C)C P40566 [0,1,1,0,0,0|1,0,0]=3 165 B8R0.9 CC(C)CNC(=O)CCl P38819 [0,1,1,0,0,0|1,0,0]=3 166 B8R0.9 NCC(=O)NCC(F)F P51197 [0,1,1,0,0,0|2,0,0]=4 167 B8R0.5 CCCC(=O)CC(C)=O O29704 [0,1,1,0,0,0|1,0,1]=4 168 B8R0.5 COCC(O)CC(=O)O F-4460 [0,1,1,0,0,0|2,0,0]=4 169 B8R0.21 CCCCCS(N)(=O)=O P44483 [0,1,1,0,0,0|1,0,0]=3 170 B8R0.21 CCCCNP(N)(N)=O O29921 [0,1,1,0,0,0|2,0,0]=4 171 B8R0.21 CS(=O)(=O)NCCCN P35493 [0,1,1,0,0,0|2,0,0]=4 172 B8R0.28 CC(=O)\C=C\CC(C)C O31440 [0,1,1,0,0,0|1,0,1]=4 173 B8R0.28 CC(C)CNCC(=O)O P38861 [0,1,1,0,0,0|2,0,0]=4 174 B8R1.2 BrCC1=CCCCC1 G-7545 [0,1,0,0,1,0|1,0,1]=4 175 B8R1.2 C#CC1CCCCN1 O30119 [0,1,0,0,1,0|1,0,1]=4 176 B8R1.2 CC[C@@H]1CCCCN1 Q54717 [0,1,0,0,1,0|1,0,1]=4 177 B8R1.2 FCC1CCCCN1 Q52081 [0,1,0,0,1,0|1,0,1]=4 178 B8R1.2 FC[C@@H]1CCCCN1 Q52082 [0,1,0,0,1,0|1,0,1]=4 179 B8R1.2 FC[C@H]1CCCCN1 Q52083 [0,1,0,0,1,0|1,0,1]=4 180 B8R1.2 N#CC1CCCCC1 P45205 [0,1,0,0,1,0|1,0,1]=4 181 B8R1.2 N#CC1CCCCN1 A-125 [0,1,0,0,1,0|1,0,1]=4 182 B8R1.2 N#C[C@@H]1CCCCN1 L18519 [0,1,0,0,1,0|1,0,1]=4 183 B8R1.2 N#C[C@@H]1CCCCN1 O33498 [0,1,0,0,1,0|1,0,1]=4 184 B8R1.2 N#C[C@@H]1CCCCN1 Q52040 [0,1,0,0,1,0|1,0,1]=4 185 B8R1.2 N#C[C@H]1CCCCN1 O33248 [0,1,0,0,1,0|1,0,1]=4 186 B8R1.2 N#C[C@H]1CCCCN1 Q52041 [0,1,0,0,1,0|1,0,1]=4 187 B8R1.2 N#C[C@H]1CCCCN1 Q52042 [0,1,0,0,1,0|1,0,1]=4 188 B8R1.2 NCC1=CCCCC1 P38792 [0,1,0,0,1,0|1,0,1]=4 189 B8R1.2 O=CC1CCCCO1 Q60246 [0,1,0,0,1,0|1,0,1]=4 190 B8R1.2 O=CC1CCNCC1 O30562 [0,1,0,0,1,0|1,0,1]=4 191 B8R1.2 O=CC1CCOCC1 C-3265 [0,1,0,0,1,0|1,0,1]=4 192 B8R1.2 O=CC1CCSCC1 O32574 [0,1,0,0,1,0|1,0,1]=4 193 B8R1.2 OC[C@@H]1CCCCN1 M23455 [0,1,0,0,1,0|0,0,2]=4 194 B8R1.2 OC[C@H]1CCCCN1 M23615 [0,1,0,0,1,0|0,0,2]=4 195 B8R1.3 C=C1CCC(=O)CC1 P44029 [0,1,0,0,1,0|0,0,1]=3 196 B8R1.3 C=C1CCC(N)CC1 L19013 [0,1,0,0,1,0|1,0,0]=3 197 B8R1.3 CC1C=CC(=O)CC1 K12331 [0,1,0,0,1,0|0,0,2]=4 198 B8R1.3 CC1CCC(=O)NC1 L13409 [0,1,0,0,1,0|0,0,0]=2 199 B8R1.3 CC1CCC(F)CN1 Q64642 [0,1,0,0,1,0|1,0,1]=4 200 B8R1.3 CC1CCC(O)CN1 Q61256 [0,1,0,0,1,0|1,0,1]=4 201 B8R1.3 CC1CCC(O)CN1 Q61257 [0,1,0,0,1,0|1,0,1]=4 202 B8R1.3 CC1CNC(=O)CN1 P35228 [0,1,0,0,1,0|1,0,0]=3 203 B8R1.3 CN1CCC(I)CC1 Q65219 [0,1,0,0,1,0|2,0,0]=4 204 B8R1.3 CN1CCC(N)CC1 G-5240 [0,1,0,0,1,0|2,0,0]=4 205 B8R1.3 C[C@@H]1CCC(=O)CN1 Q56751 [0,1,0,0,1,0|1,0,0]=3 206 B8R1.3 C[C@@H]1CCC(=O)CN1 Q56752 [0,1,0,0,1,0|1,0,0]=3 207 B8R1.3 C[C@@H]1CC[C@@H](O)CN1 Q56745 [0,1,0,0,1,0|1,0,1]=4 208 B8R1.3 C[C@@H]1CC[C@H](O)CN1 P45650 [0,1,0,0,1,0|1,0,1]=4 209 B8R1.3 C[C@@H]1CC[C@H](O)CN1 Q56748 [0,1,0,0,1,0|1,0,1]=4 210 B8R1.3 C[C@@H]1CC[C@H](O)CN1 Q56749 [0,1,0,0,1,0|1,0,1]=4 211 B8R1.3 C[C@@H]1CNC(=O)CN1 L14453 [0,1,0,0,1,0|1,0,0]=3 212 B8R1.3 C[C@H]1CCC(=O)CN1 Q56753 [0,1,0,0,1,0|1,0,0]=3 213 B8R1.3 C[C@H]1CCC(=O)CN1 Q56754 [0,1,0,0,1,0|1,0,0]=3 214 B8R1.3 C[C@H]1CC[C@@H](O)CN1 P50092 [0,1,0,0,1,0|1,0,1]=4 215 B8R1.3 C[C@H]1CC[C@@H](O)CN1 Q56719 [0,1,0,0,1,0|1,0,1]=4 216 B8R1.3 C[C@H]1CC[C@H](N)CC1 P45887 [0,1,0,0,1,0|1,0,1]=4 217 B8R1.3 C[C@H]1CC[C@H](O)CN1 Q56728 [0,1,0,0,1,0|1,0,1]=4 218 B8R1.3 C[C@H]1CC[C@H](O)CN1 Q56729 [0,1,0,0,1,0|1,0,1]=4 219 B8R1.3 C[C@H]1CNC(=O)CN1 L13879 [0,1,0,0,1,0|1,0,0]=3 220 B8R1.3 NC1CCC(=O)CC1 P36686 [0,1,0,0,1,0|0,0,0]=2 221 B8R1.3 NC1CCC(=O)NC1 C-3401 [0,1,0,0,1,0|0,0,0]=2 222 B8R1.3 NC1CCC(F)CC1 P48099 [0,1,0,0,1,0|1,0,1]=4 223 B8R1.3 NC1CCC(F)CC1 Q57430 [0,1,0,0,1,0|1,0,1]=4 224 B8R1.3 NC1CCC(O)CC1 P44662 [0,1,0,0,1,0|0,0,2]=4 225 B8R1.3 NC1CCC(O)CC1 P44669 [0,1,0,0,1,0|0,0,2]=4 226 B8R1.3 NC1CCS(=O)CC1 Q54883 [0,1,0,0,1,0|1,0,0]=3 227 B8R1.3 NC1CCS(=O)CC1 Q54884 [0,1,0,0,1,0|1,0,0]=3 228 B8R1.3 NN1CCC(O)CC1 P51626 [0,1,0,0,1,0|2,0,0]=4 229 B8R1.3 N[C@@H]1CCC(=O)NC1 L21492 [0,1,0,0,1,0|0,0,0]=2 230 B8R1.3 N[C@H]1CCC(=O)NC1 L21629 [0,1,0,0,1,0|0,0,0]=2 231 B8R1.3 N[C@H]1CC[C@@H](F)CC1 P44838 [0,1,0,0,1,0|1,0,1]=4 232 B8R1.3 N[C@H]1CC[C@@H](O)CC1 L13980 [0,1,0,0,1,0|0,0,2]=4 233 B8R1.3 N[C@H]1CC[C@H](F)CC1 P44837 [0,1,0,0,1,0|1,0,1]=4 234 B8R1.3 N[C@H]1CC[C@H](N)CC1 Q69448 [0,1,0,0,1,0|1,0,1]=4 235 B8R1.3 N[C@H]1CC[C@H](O)CC1 G-6922 [0,1,0,0,1,0|0,0,2]=4 236 B8R1.3 N[C@H]1CC[C@H](O)CC1 P45541 [0,1,0,0,1,0|0,0,2]=4 237 B8R1.3 O=C1CCC(=O)NC1 Q52611 [0,1,0,0,1,0|0,0,1]=3 238 B8R1.3 O=C1CCC(=O)OC1 K12424 [0,1,0,0,1,0|1,0,1]=4 239 B8R1.3 O=C1CCC(Br)CC1 P39565 [0,1,0,0,1,0|0,0,0]=2 240 B8R1.3 O=C1CCC(F)CC1 L21631 [0,1,0,0,1,0|0,0,0]=2 241 B8R1.3 O=C1CCC(F)CN1 Q54421 [0,1,0,0,1,0|0,0,0]=2 242 B8R1.3 O=C1CC[C@H](O)CN1 Q52728 [0,1,0,0,1,0|0,0,0]=2 243 B8R1.3 O=S1CCC(O)CC1 Q57900 [0,1,0,0,1,0|1,0,0]=3 244 B8R1.3 OC1CCC(Br)CC1 P44927 [0,1,0,0,1,0|0,0,2]=4 245 B8R1.3 OC1CCC(F)CC1 P43964 [0,1,0,0,1,0|0,0,2]=4 246 B8R1.3 O[C@H]1CC[C@@H](F)CC1 P44855 [0,1,0,0,1,0|0,0,2]=4 247 B8R1.3 O[C@H]1CC[C@@H](O)CC1 L13038 [0,1,0,0,1,0|0,0,2]=4 248 B8R1.3 O[C@H]1CC[C@H](F)CC1 P47218 [0,1,0,0,1,0|0,0,2]=4 249 B8R1.3 O[C@H]1CC[C@H](S)CC1 P45358 [0,1,0,0,1,0|0,0,2]=4 250 B8R1.4 C=C1CCOC(C)C1 Q54980 [0,1,0,0,1,0|2,0,0]=4 251 B8R1.4 CC1=CCCC(=O)C1 O32064 [0,1,0,0,1,0|0,0,2]=4 252 B8R1.4 CC1CC(=O)CCN1 D-2514 [0,1,0,0,1,0|1,0,0]=3 253 B8R1.4 CC1CC(=O)CCO1 A-836 [0,1,0,0,1,0|1,0,0]=3 254 B8R1.4 CC1CC(O)CCN1 G-7300 [0,1,0,0,1,0|1,0,1]=4 255 B8R1.4 CC1CC(O)CCN1 L21311 [0,1,0,0,1,0|1,0,1]=4 256 B8R1.4 CC1CCNC(=O)C1 L13355 [0,1,0,0,1,0|0,0,0]=2 257 B8R1.4 CN1CCCC(N)C1 C-3293 [0,1,0,0,1,0|2,0,0]=4 258 B8R1.4 CN1CCCC(O)C1 C-3297 [0,1,0,0,1,0|2,0,0]=4 259 B8R1.4 CN1CCC[C@@H](N)C1 C-2766 [0,1,0,0,1,0|2,0,0]=4 260 B8R1.4 CN1CCC[C@@H](N)C1 I-9583 [0,1,0,0,1,0|2,0,0]=4 261 B8R1.4 CN1CCC[C@@H](O)C1 G-5242 [0,1,0,0,1,0|2,0,0]=4 262 B8R1.4 CN1CCC[C@H](N)C1 C-2767 [0,1,0,0,1,0|2,0,0]=4 263 B8R1.4 CN1CCC[C@H](N)C1 G-5241 [0,1,0,0,1,0|2,0,0]=4 264 B8R1.4 CN1CCC[C@H](O)C1 G-5243 [0,1,0,0,1,0|2,0,0]=4 265 B8R1.4 CN1CCOC(=O)C1 Q54674 [0,1,0,0,1,0|2,0,0]=4 266 B8R1.4 C[C@@H]1CC(=O)CCN1 G-7641 [0,1,0,0,1,0|1,0,0]=3 267 B8R1.4 C[C@@H]1CC(=O)CCO1 H-8404 [0,1,0,0,1,0|1,0,0]=3 268 B8R1.4 C[C@@H]1CCC[C@@H](C)N1 Q65231 [0,1,0,0,1,0|1,0,1]=4 269 B8R1.4 C[C@@H]1CCC[C@@H](C)N1 Q65232 [0,1,0,0,1,0|1,0,1]=4 270 B8R1.4 C[C@@H]1CCC[C@@H](N)C1 P49440 [0,1,0,0,1,0|1,0,1]=4 271 B8R1.4 C[C@@H]1CCC[C@@H](O)C1 P45249 [0,1,0,0,1,0|0,0,2]=4 272 B8R1.4 C[C@@H]1CCC[C@@H](O)C1 P45891 [0,1,0,0,1,0|0,0,2]=4 273 B8R1.4 C[C@@H]1CCC[C@H](N)C1 P45362 [0,1,0,0,1,0|1,0,1]=4 274 B8R1.4 C[C@@H]1CCC[C@H](N)C1 P49441 [0,1,0,0,1,0|1,0,1]=4 275 B8R1.4 C[C@@H]1CCC[C@H](O)C1 P45486 [0,1,0,0,1,0|0,0,2]=4 276 B8R1.4 C[C@@H]1CCC[C@H](O)C1 P45892 [0,1,0,0,1,0|0,0,2]=4 277 B8R1.4 C[C@@H]1CNCC(=O)N1 L13903 [0,1,0,0,1,0|1,0,0]=3 278 B8R1.4 C[C@@H]1C[C@H](F)CCN1 Q63705 [0,1,0,0,1,0|1,0,1]=4 279 B8R1.4 C[C@@H]1C[C@H](O)CCN1 G-6431 [0,1,0,0,1,0|1,0,1]=4 280 B8R1.4 C[C@@H]1C[C@H](O)CCN1 Q56468 [0,1,0,0,1,0|1,0,1]=4 281 B8R1.4 C[C@H]1CC(=O)CCN1 G-6964 [0,1,0,0,1,0|1,0,0]=3 282 B8R1.4 C[C@H]1CC(=O)CCN1 G-7640 [0,1,0,0,1,0|1,0,0]=3 283 B8R1.4 C[C@H]1CC(=O)CCN1 Q61425 [0,1,0,0,1,0|1,0,0]=3 284 B8R1.4 C[C@H]1CC(=O)CCO1 A-837 [0,1,0,0,1,0|1,0,0]=3 285 B8R1.4 C[C@H]1CCC[C@@H](N)C1 P45360 [0,1,0,0,1,0|1,0,1]=4 286 B8R1.4 C[C@H]1CCC[C@@H](O)C1 P45893 [0,1,0,0,1,0|0,0,2]=4 287 B8R1.4 C[C@H]1CCC[C@H](C)N1 Q65229 [0,1,0,0,1,0|1,0,1]=4 288 B8R1.4 C[C@H]1CCC[C@H](C)N1 Q65230 [0,1,0,0,1,0|1,0,1]=4 289 B8R1.4 C[C@H]1CCC[C@H](N)C1 P45361 [0,1,0,0,1,0|1,0,1]=4 290 B8R1.4 C[C@H]1CCC[C@H](O)C1 P45546 [0,1,0,0,1,0|0,0,2]=4 291 B8R1.4 C[C@H]1CNCC(=O)N1 G-7098 [0,1,0,0,1,0|1,0,0]=3 292 B8R1.4 C[C@H]1CNCC(=O)N1 H-8010 [0,1,0,0,1,0|1,0,0]=3 293 B8R1.4 C[C@H]1C[C@@H](F)CCN1 Q63704 [0,1,0,0,1,0|1,0,1]=4 294 B8R1.4 C[C@H]1C[C@@H](O)CCN1 G-6430 [0,1,0,0,1,0|1,0,1]=4 295 B8R1.4 C[C@H]1C[C@@H](O)CCN1 Q56467 [0,1,0,0,1,0|1,0,1]=4 296 B8R1.4 NC1CCCC(=O)C1 P48005 [0,1,0,0,1,0|0,0,0]=2 297 B8R1.4 NC1CCCC(F)C1 P48941 [0,1,0,0,1,0|1,0,1]=4 298 B8R1.4 NC1CCCC(O)C1 F-4485 [0,1,0,0,1,0|0,0,2]=4 299 B8R1.4 NC1CCCC(O)C1 P51354 [0,1,0,0,1,0|0,0,2]=4 300 B8R1.4 NC1CCNC(=O)C1 C-2485 [0,1,0,0,1,0|0,0,0]=2 301 B8R1.4 NC1COCC(=O)C1 P46448 [0,1,0,0,1,0|1,0,0]=3 302 B8R1.4 NC1COCC(=O)C1 Q61511 [0,1,0,0,1,0|1,0,0]=3 303 B8R1.4 N[C@@H]1CCC[C@@H](N)C1 P45856 [0,1,0,0,1,0|1,0,1]=4 304 B8R1.4 N[C@@H]1CCC[C@@H](N)C1 P50869 [0,1,0,0,1,0|1,0,1]=4 305 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 L14375 [0,1,0,0,1,0|0,0,2]=4 306 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 P45284 [0,1,0,0,1,0|0,0,2]=4 307 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 P46977 [0,1,0,0,1,0|0,0,2]=4 308 B8R1.4 N[C@@H]1CCC[C@H](O)C1 P44060 [0,1,0,0,1,0|0,0,2]=4 309 B8R1.4 N[C@H]1CCC[C@@H](F)C1 P48942 [0,1,0,0,1,0|1,0,1]=4 310 B8R1.4 N[C@H]1CCC[C@@H](F)C1 P50330 [0,1,0,0,1,0|1,0,1]=4 311 B8R1.4 N[C@H]1CCC[C@@H](N)C1 L14628 [0,1,0,0,1,0|1,0,1]=4 312 B8R1.4 N[C@H]1CCC[C@@H](N)C1 P45859 [0,1,0,0,1,0|1,0,1]=4 313 B8R1.4 N[C@H]1CCC[C@@H](N)C1 P48039 [0,1,0,0,1,0|1,0,1]=4 314 B8R1.4 N[C@H]1CCC[C@@H](O)C1 K10840 [0,1,0,0,1,0|0,0,2]=4 315 B8R1.4 N[C@H]1CCC[C@@H](O)C1 P44061 [0,1,0,0,1,0|0,0,2]=4 316 B8R1.4 N[C@H]1CCC[C@@H](O)C1 P45304 [0,1,0,0,1,0|0,0,2]=4 317 B8R1.4 N[C@H]1CCC[C@H](F)C1 P46535 [0,1,0,0,1,0|1,0,1]=4 318 B8R1.4 N[C@H]1CCC[C@H](N)C1 L18352 [0,1,0,0,1,0|1,0,1]=4 319 B8R1.4 N[C@H]1CCC[C@H](O)C1 O33050 [0,1,0,0,1,0|0,0,2]=4 320 B8R1.4 N[C@H]1CCC[C@H](O)C1 P45649 [0,1,0,0,1,0|0,0,2]=4 321 B8R1.4 O=C1CC(F)CCN1 Q54422 [0,1,0,0,1,0|0,0,0]=2 322 B8R1.4 O=C1CCCC(=O)C1 P44675 [0,1,0,0,1,0|0,0,1]=3 323 B8R1.4 O=C1CCCC(Br)C1 P45384 [0,1,0,0,1,0|0,0,0]=2 324 B8R1.4 O=C1CCCC(F)C1 P43987 [0,1,0,0,1,0|0,0,0]=2 325 B8R1.4 O=C1CCCC(O)C1 L18346 [0,1,0,0,1,0|0,0,0]=2 326 B8R1.4 O=C1CCC[C@H](O)C1 P47405 [0,1,0,0,1,0|0,0,0]=2 327 B8R1.4 O=C1CCNC(=O)C1 B-1275 [0,1,0,0,1,0|0,0,1]=3 328 B8R1.4 O=C1CCOC(=O)C1 H-8796 [0,1,0,0,1,0|1,0,1]=4 329 B8R1.4 O=C1CNCC(=O)N1 L14058 [0,1,0,0,1,0|1,0,1]=4 330 B8R1.4 O=C1COCC(=O)C1 G-6233 [0,1,0,0,1,0|1,0,1]=4 331 B8R1.4 O=C1COCC(=O)N1 P38066 [0,1,0,0,1,0|1,0,1]=4 332 B8R1.4 O=C1COCC(F)C1 Q54617 [0,1,0,0,1,0|1,0,0]=3 333 B8R1.4 O=C1COCC(O)C1 Q54616 [0,1,0,0,1,0|1,0,0]=3 334 B8R1.4 O=C1CSCC(=O)C1 O33436 [0,1,0,0,1,0|1,0,1]=4 335 B8R1.4 O=S1CCCC(Br)C1 Q57991 [0,1,0,0,1,0|1,0,0]=3 336 B8R1.5 CC1CCCNC1=O L13669 [0,1,0,0,1,0|0,0,0]=2 337 B8R1.5 CC1CCNCC1=O F-4040 [0,1,0,0,1,0|1,0,0]=3 338 B8R1.5 CC1CNCCC1=O O34502 [0,1,0,0,1,0|1,0,0]=3 339 B8R1.5 CC1COCCC1=O F-4697 [0,1,0,0,1,0|1,0,0]=3 340 B8R1.5 CC1NCCCC1O Q61133 [0,1,0,0,1,0|1,0,1]=4 341 B8R1.5 CC1NCCNC1=O O34501 [0,1,0,0,1,0|1,0,0]=3 342 B8R1.5 CN1CCNCC1=O G-5499 [0,1,0,0,1,0|1,0,0]=3 343 B8R1.5 CN1CCNCC1=O G-5499-1 [0,1,0,0,1,0|1,0,0]=3 344 B8R1.5 C[C@@H]1CCCC[C@@H]1N O34546 [0,1,0,0,1,0|1,0,1]=4 345 B8R1.5 C[C@@H]1CCCC[C@@H]1N P46167 [0,1,0,0,1,0|1,0,1]=4 346 B8R1.5 C[C@@H]1CCCC[C@H]1N P44819 [0,1,0,0,1,0|1,0,1]=4 347 B8R1.5 C[C@@H]1CCCC[C@H]1N P44820 [0,1,0,0,1,0|1,0,1]=4 348 B8R1.5 C[C@@H]1CCCC[C@H]1N P45791 [0,1,0,0,1,0|1,0,1]=4 349 B8R1.5 C[C@@H]1CCCN[C@@H]1C P45337 [0,1,0,0,1,0|1,0,1]=4 350 B8R1.5 C[C@@H]1CCCN[C@@H]1C Q61336 [0,1,0,0,1,0|1,0,1]=4 351 B8R1.5 C[C@@H]1NCCC[C@@H]1O Q61250 [0,1,0,0,1,0|1,0,1]=4 352 B8R1.5 C[C@@H]1NCCC[C@H]1O Q61249 [0,1,0,0,1,0|1,0,1]=4 353 B8R1.5 C[C@@H]1NCCNC1=O O34331 [0,1,0,0,1,0|1,0,0]=3 354 B8R1.5 C[C@H]1CCCC[C@@H]1N P45803 [0,1,0,0,1,0|1,0,1]=4 355 B8R1.5 C[C@H]1CCCC[C@@H]1N P49914 [0,1,0,0,1,0|1,0,1]=4 356 B8R1.5 C[C@H]1CCCC[C@H]1N O34572 [0,1,0,0,1,0|1,0,1]=4 357 B8R1.5 C[C@H]1CCCC[C@H]1N P45166 [0,1,0,0,1,0|1,0,1]=4 358 B8R1.5 C[C@H]1NCCC[C@@H]1O Q61135 [0,1,0,0,1,0|1,0,1]=4 359 B8R1.5 C[C@H]1NCCC[C@@H]1O Q61248 [0,1,0,0,1,0|1,0,1]=4 360 B8R1.5 C[C@H]1NCCC[C@H]1O Q61134 [0,1,0,0,1,0|1,0,1]=4 361 B8R1.5 C[C@H]1NCCC[C@H]1O Q61251 [0,1,0,0,1,0|1,0,1]=4 362 B8R1.5 C[C@H]1NCCNC1=O O34330 [0,1,0,0,1,0|1,0,0]=3 363 B8R1.5 NC1CCCCC1=O P45934 [0,1,0,0,1,0|0,0,0]=2 364 B8R1.5 NC1CCCCC1F P50555 [0,1,0,0,1,0|1,0,1]=4 365 B8R1.5 NN1CCCCC1=O B-1138 [0,1,0,0,1,0|0,0,0]=2 366 B8R1.5 N[C@@H]1CCCC[C@@H]1F P48909 [0,1,0,0,1,0|1,0,1]=4 367 B8R1.5 N[C@@H]1CCCC[C@@H]1O P46454 [0,1,0,0,1,0|0,0,2]=4 368 B8R1.5 N[C@@H]1CCCC[C@@H]1O P49846 [0,1,0,0,1,0|0,0,2]=4 369 B8R1.5 N[C@@H]1CCCC[C@H]1F P46966 [0,1,0,0,1,0|1,0,1]=4 370 B8R1.5 N[C@@H]1CCCC[C@H]1F P49016 [0,1,0,0,1,0|1,0,1]=4 371 B8R1.5 N[C@@H]1CCCC[C@H]1N M15638 [0,1,0,0,1,0|1,0,1]=4 372 B8R1.5 N[C@@H]1CCCC[C@H]1O P48754 [0,1,0,0,1,0|0,0,2]=4 373 B8R1.5 N[C@@H]1CCCNC1=O O34375 [0,1,0,0,1,0|0,0,0]=2 374 B8R1.5 N[C@H]1CCCC[C@@H]1F P49406 [0,1,0,0,1,0|1,0,1]=4 375 B8R1.5 N[C@H]1CCCC[C@@H]1O P44501 [0,1,0,0,1,0|0,0,2]=4 376 B8R1.5 N[C@H]1CCCC[C@H]1O P45876 [0,1,0,0,1,0|0,0,2]=4 377 B8R1.5 N[C@H]1CCCC[C@H]1O P46705 [0,1,0,0,1,0|0,0,2]=4 378 B8R1.5 N[C@H]1CCCNC1=O O34462 [0,1,0,0,1,0|0,0,0]=2 379 B8R1.5 O=C1CCCCC1Br L21639 [0,1,0,0,1,0|0,0,0]=2 380 B8R1.5 O=C1CCCCC1F P45307 [0,1,0,0,1,0|0,0,0]=2 381 B8R1.5 O=C1CCCNC1=O S72799 [0,1,0,0,1,0|0,0,1]=3 382 B8R1.5 O=C1CCNCC1Br Q52493 [0,1,0,0,1,0|1,0,0]=3 383 B8R1.5 O=C1CCNCC1F G-7340 [0,1,0,0,1,0|1,0,0]=3 384 B8R1.5 O=C1CCNCC1F Q56501 [0,1,0,0,1,0|1,0,0]=3 385 B8R1.5 O=C1CCOCC1Br C-3416 [0,1,0,0,1,0|1,0,0]=3 386 B8R1.5 O=C1CCOCC1F G-7272 [0,1,0,0,1,0|1,0,0]=3 387 B8R1.5 O=C1CCOC[C@H]1F Q52309 [0,1,0,0,1,0|1,0,0]=3 388 B8R1.5 O=C1COCCC1Br Q54651 [0,1,0,0,1,0|1,0,0]=3 389 B8R1.5 O=C1NCCCC1Br L18696 [0,1,0,0,1,0|0,0,0]=2 390 B8R1.5 O=C1NCCC[C@@H]1O P36280 [0,1,0,0,1,0|0,0,0]=2 391 B8R1.5 O=C1NCCC[C@H]1O P39619 [0,1,0,0,1,0|0,0,0]=2 392 B8R1.5 O=C1OCCCC1Br L20669 [0,1,0,0,1,0|1,0,0]=3 393 B8R1.5 OC1CCCCC1Br Q59575 [0,1,0,0,1,0|0,0,2]=4 394 B8R1.72 CC1(C)CCCCN1 Q52541 [0,1,0,0,1,0|1,0,1]=4 395 B8R1.72 N=S1(=O)CCNCC1 Q69962 [0,1,0,0,1,0|2,0,0]=4 396 B8R1.72 O=S1(=O)CCNCC1 G-5351 [0,1,0,0,1,0|2,0,0]=4 397 B10R1.275 O=C1CCCCC(O)=C1F P44886 [0,2,0,0,0,0|1,0,1]=4 398 B10R1.300 O=C1NCCCCC1(Br)Br P50986 [0,2,0,0,0,0|0,0,0]=2 399 B10R1.197 O=C1CCC(CO)CCN1 L19235 [0,2,0,0,0,0|0,0,0]=2 400 B10R1.348 O=C(O)[C@@H]1CCCCCN1 Q62626 [0,2,0,0,0,0|0,0,1]=3 401 B10R1.348 O=C(O)[C@H]1CCCCCN1 Q62627 [0,2,0,0,0,0|0,0,1]=3 402 B8R1.8 CNC[C@@H]1CCCN1 P49799 [0,0,1,1,0,0|2,0,0]=4 403 B8R1.8 CNC[C@H]1CCCN1 P45316 [0,0,1,1,0,0|2,0,0]=4 404 B8R1.8 COCC1CCCN1 O28849 [0,0,1,1,0,0|2,0,0]=4 405 B8R1.8 COC[C@@H]1CCCN1 L14013 [0,0,1,1,0,0|2,0,0]=4 406 B8R1.8 COC[C@H]1CCCN1 P35868 [0,0,1,1,0,0|2,0,0]=4 407 B8R1.8 NCCC1CCCC1 P37297 [0,0,1,1,0,0|1,0,1]=4 408 B8R1.8 O=CCC1CCCC1 P37401 [0,0,1,1,0,0|1,0,0]=3 409 B8R1.8 O=CCN1CCCC1 P35023 [0,0,1,1,0,0|2,0,0]=4 410 B8R1.8 OCCC1CCCN1 G-5919 [0,0,1,1,0,0|0,0,2]=4 411 B8R1.10 CCNCC1CCC1 P45276 [0,0,1,1,0,0|1,0,1]=4 412 B8R1.10 CCNCC1CCC1 P45868 [0,0,1,1,0,0|1,0,1]=4 413 B8R1.10 NCCCC1CCC1 P35867 [0,0,1,1,0,0|1,0,1]=4 414 B8R1.10 O=C=NCC1CCC1 P47945 [0,0,1,1,0,0|0,0,2]=4 415 B8R1.10 O=CCCC1CCC1 P46841 [0,0,1,1,0,0|1,0,0]=3 416 B8R1.10 O=CCCC1CCO1 Q57245 [0,0,1,1,0,0|1,0,0]=3 417 B8R1.11 CC1CCCC1CN L20508 [0,0,1,1,0,0|1,0,1]=4 418 B8R1.11 CN1CCCC1CN P39264 [0,0,1,1,0,0|2,0,0]=4 419 B8R1.11 CN1CCC[C@@H]1CN C-3654 [0,0,1,1,0,0|2,0,0]=4 420 B8R1.11 CN1CCC[C@H]1CN C-3570 [0,0,1,1,0,0|2,0,0]=4 421 B8R1.11 CNC1CCNC1=O L20781 [0,0,1,1,0,0|1,0,0]=3 422 B8R1.11 COC1CCCC1N Q59137 [0,0,1,1,0,0|2,0,0]=4 423 B8R1.11 COC1CCCC1N Q59138 [0,0,1,1,0,0|2,0,0]=4 424 B8R1.11 CO[C@@H]1CCC[C@@H]1N Q52259 [0,0,1,1,0,0|2,0,0]=4 425 B8R1.11 CO[C@@H]1CCC[C@@H]1N Q52260 [0,0,1,1,0,0|2,0,0]=4 426 B8R1.11 CO[C@@H]1CCC[C@H]1N Q56991 [0,0,1,1,0,0|2,0,0]=4 427 B8R1.11 CO[C@H]1CCC[C@@H]1N Q52257 [0,0,1,1,0,0|2,0,0]=4 428 B8R1.11 CO[C@H]1CCC[C@@H]1N Q56990 [0,0,1,1,0,0|2,0,0]=4 429 B8R1.11 CSC1CCCC1N Q59163 [0,0,1,1,0,0|2,0,0]=4 430 B8R1.11 N#CC1CCCC1N Q54475 [0,0,1,1,0,0|1,0,1]=4 431 B8R1.11 N#C[C@@H]1CCC[C@@H]1N F-4843 [0,0,1,1,0,0|1,0,1]=4 432 B8R1.11 N#C[C@@H]1CCC[C@@H]1N G-7844 [0,0,1,1,0,0|1,0,1]=4 433 B8R1.11 N#C[C@@H]1CCC[C@@H]1N P50522 [0,0,1,1,0,0|1,0,1]=4 434 B8R1.11 N#C[C@@H]1CCC[C@@H]1N Q52161 [0,0,1,1,0,0|1,0,1]=4 435 B8R1.11 N#C[C@H]1CCC[C@H]1N L13306 [0,0,1,1,0,0|1,0,1]=4 436 B8R1.11 N#C[C@H]1CCC[C@H]1N Q52845 [0,0,1,1,0,0|1,0,1]=4 437 B8R1.11 N#C[C@H]1CCC[C@H]1N Q52846 [0,0,1,1,0,0|1,0,1]=4 438 B8R1.11 NCC1CCCC1N Q59144 [0,0,1,1,0,0|1,0,1]=4 439 B8R1.11 NCC1CCCC1O Q59145 [0,0,1,1,0,0|0,0,2]=4 440 B8R1.11 NC[C@@H]1CCC[C@H]1O Q52811 [0,0,1,1,0,0|0,0,2]=4 441 B8R1.11 NC[C@H]1CCC[C@@H]1O Q52812 [0,0,1,1,0,0|0,0,2]=4 442 B8R1.11 O=C1NCCC1CO L13115 [0,0,1,1,0,0|1,0,0]=3 443 B8R1.12 COC1CCC1CN P44996 [0,0,1,1,0,0|2,0,0]=4 444 B8R1.12 NCC1CCC1CF P48302 [0,0,1,1,0,0|1,0,1]=4 445 B8R1.13 COCC1CCC1N P47021 [0,0,1,1,0,0|2,0,0]=4 446 B8R1.13 COCC1CCC1N P47931 [0,0,1,1,0,0|2,0,0]=4 447 B8R1.13 COC[C@H]1CC[C@@H]1N P46988 [0,0,1,1,0,0|2,0,0]=4 448 B8R1.13 COC[C@H]1CC[C@@H]1N P46994 [0,0,1,1,0,0|2,0,0]=4 449 B8R1.13 COC[C@H]1CC[C@H]1N P46962 [0,0,1,1,0,0|2,0,0]=4 450 B8R1.13 COC[C@H]1CC[C@H]1N P46995 [0,0,1,1,0,0|2,0,0]=4 451 B8R1.1 CCC1CCC(C)N1 Q59319 [0,0,1,1,0,0|1,0,1]=4 452 B8R1.1 CNC1CNC(=O)C1 L19088 [0,0,1,1,0,0|1,0,0]=3 453 B8R1.1 CN[C@H]1CNC(=O)C1 Q61671 [0,0,1,1,0,0|1,0,0]=3 454 B8R1.1 N#CC1CNC(=O)C1 P45137 [0,0,1,1,0,0|1,0,1]=4 455 B8R1.1 NCC1CNC(=O)C1 G-5016 [0,0,1,1,0,0|1,0,0]=3 456 B8R1.1 NCC1CNC(=O)C1 G-5352 [0,0,1,1,0,0|1,0,0]=3 457 B8R1.1 NCC1CNC(=O)O1 F-4726 [0,0,1,1,0,0|2,0,0]=4 458 B8R1.1 NCC1CNC(=O)O1 L13152 [0,0,1,1,0,0|2,0,0]=4 459 B8R1.1 NCC1COC(=O)N1 L13942 [0,0,1,1,0,0|2,0,0]=4 460 B8R1.1 NC[C@@H]1CCC(=O)N1 10036 [0,0,1,1,0,0|1,0,0]=3 461 B8R1.1 NC[C@@H]1CCC(=O)N1 O33611 [0,0,1,1,0,0|1,0,0]=3 462 B8R1.1 NC[C@@H]1CNC(=O)C1 I-9821 [0,0,1,1,0,0|1,0,0]=3 463 B8R1.1 NC[C@@H]1CNC(=O)C1 L13273 [0,0,1,1,0,0|1,0,0]=3 464 B8R1.1 NC[C@@H]1CNC(=O)O1 L13195 [0,0,1,1,0,0|2,0,0]=4 465 B8R1.1 NC[C@H]1CCC(=O)N1 10096 [0,0,1,1,0,0|1,0,0]=3 466 B8R1.1 NC[C@H]1CNC(=O)C1 I-9497 [0,0,1,1,0,0|1,0,0]=3 467 B8R1.1 NC[C@H]1CNC(=O)C1 L13364 [0,0,1,1,0,0|1,0,0]=3 468 B8R1.1 NC[C@H]1CNC(=O)O1 L22235 [0,0,1,1,0,0|2,0,0]=4 469 B8R1.1 O=C1CC(CO)CN1 M22864 [0,0,1,1,0,0|1,0,0]=3 470 B8R1.1 O=C1CC(CO)CO1 H-8701 [0,0,1,1,0,0|2,0,0]=4 471 B8R1.1 O=C1CCC(CO)C1 Q62791 [0,0,1,1,0,0|2,0,0]=4 472 B8R1.1 O=C1CCC(CO)N1 M23573 [0,0,1,1,0,0|1,0,0]=3 473 B8R1.1 O=C1CC[C@@H](CBr)C1 Q64130 [0,0,1,1,0,0|2,0,0]=4 474 B8R1.1 O=C1CC[C@@H](CBr)N1 P36413 [0,0,1,1,0,0|1,0,0]=3 475 B8R1.1 O=C1CC[C@@H](CF)N1 Q59250 [0,0,1,1,0,0|1,0,0]=3 476 B8R1.1 O=C1CC[C@@H](CO)C1 Q62794 [0,0,1,1,0,0|2,0,0]=4 477 B8R1.1 O=C1CC[C@@H](CO)O1 K12361 [0,0,1,1,0,0|2,0,0]=4 478 B8R1.1 O=C1CC[C@H](CBr)C1 Q64129 [0,0,1,1,0,0|2,0,0]=4 479 B8R1.1 O=C1CC[C@H](CBr)N1 P34760 [0,0,1,1,0,0|1,0,0]=3 480 B8R1.1 O=C1CC[C@H](CO)C1 Q62792 [0,0,1,1,0,0|2,0,0]=4 481 B8R1.1 O=C1NCC(CO)O1 F-4693 [0,0,1,1,0,0|2,0,0]=4 482 B8R1.1 O=C1NC[C@@H](CO)O1 L13350 [0,0,1,1,0,0|2,0,0]=4 483 B8R1.1 O=C1N[C@@H](CI)CO1 10034 [0,0,1,1,0,0|2,0,0]=4 484 B8R1.1 O=C1N[C@@H](CO)CO1 10001 [0,0,1,1,0,0|2,0,0]=4 485 B8R1.1 O=C1N[C@@H](CO)CS1 K13391 [0,0,1,1,0,0|2,0,0]=4 486 B8R1.1 O=C1N[C@H](CO)CO1 10026 [0,0,1,1,0,0|2,0,0]=4 487 B8R1.1 O=C1N[C@H](CO)CS1 K13390 [0,0,1,1,0,0|2,0,0]=4 488 B8R1.38 C=CC(=O)N1CCC1 P44698 [0,0,1,1,0,0|0,0,2]=4 489 B8R1.38 CCC(=O)C1CCC1 P45339 [0,0,1,1,0,0|1,0,0]=3 490 B8R1.38 CCC(=O)C1COC1 Q56142 [0,0,1,1,0,0|2,0,0]=4 491 B8R1.38 CNC(=O)C1CCC1 P49094 [0,0,1,1,0,0|0,0,0]=2 492 B8R1.38 CNC(=O)C1CNC1 P45048 [0,0,1,1,0,0|1,0,0]=3 493 B8R1.38 CNC(=O)C1CNC1 P45049 [0,0,1,1,0,0|1,0,0]=3 494 B8R1.38 CNC(C)C1CCC1 P48247 [0,0,1,1,0,0|1,0,1]=4 495 B8R1.38 COC(=O)C1CCC1 P45206 [0,0,1,1,0,0|1,0,0]=3 496 B8R1.38 COC(=O)C1CCN1 F-4237 [0,0,1,1,0,0|2,0,0]=4 497 B8R1.38 COC(=O)C1CNC1 A-420 [0,0,1,1,0,0|2,0,0]=4 498 B8R1.38 COC(=O)C1CNC1 F-4426 [0,0,1,1,0,0|2,0,0]=4 499 B8R1.38 COC(=O)C1COC1 L13768 [0,0,1,1,0,0|2,0,0]=4 500 B8R1.38 COC(=O)[C@@H]1CCN1 G-7134 [0,0,1,1,0,0|2,0,0]=4 501 B8R1.38 COC(=O)[C@H]1CCN1 G-7965 [0,0,1,1,0,0|2,0,0]=4 502 B8R1.38 NCC(=O)C1CCC1 L19863 [0,0,1,1,0,0|2,0,0]=4 503 B8R1.38 NCC(=O)N1CCC1 P42497 [0,0,1,1,0,0|1,0,0]=3 504 B8R1.38 NNC(=O)C1CCC1 P44614 [0,0,1,1,0,0|1,0,0]=3 505 B8R1.38 O=C(CBr)C1CCC1 P44370 [0,0,1,1,0,0|2,0,0]=4 506 B8R1.38 O=C(CBr)N1CCC1 P44519 [0,0,1,1,0,0|1,0,0]=3 507 B8R1.38 O=C(CCl)C1CCC1 P45495 [0,0,1,1,0,0|2,0,0]=4 508 B8R1.38 O=C(CCl)N1CCC1 P34713 [0,0,1,1,0,0|1,0,0]=3 509 B8R1.38 O=C(CO)C1CCC1 P45459 [0,0,1,1,0,0|2,0,0]=4 510 B8R1.38 O=C(NO)C1CCC1 P45195 [0,0,1,1,0,0|1,0,0]=3 511 B8R1.40 COC(=O)CC1CC1 G-7131 [0,0,1,1,0,0|1,0,0]=3 512 B8R1.40 NCC(=O)NC1CC1 P36714 [0,0,1,1,0,0|1,0,0]=3 513 B8R1.50 CC1C(=O)CCN1C Q52697 [0,0,1,1,0,0|2,0,0]=4 514 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O Q53540 [0,0,1,1,0,0|2,0,0]=4 515 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O Q53541 [0,0,1,1,0,0|2,0,0]=4 516 B8R1.6 CCCC1CC(=O)C1 P45457 [0,0,1,1,0,0|1,0,0]=3 517 B8R1.6 CCOC1CC(=O)C1 P45782 [0,0,1,1,0,0|2,0,0]=4 518 B8R1.6 COCC1CC(=O)C1 P42770 [0,0,1,1,0,0|2,0,0]=4 519 B8R1.7 CC(=O)C1CCCN1 P37169 [0,0,1,1,0,0|2,0,0]=4 520 B8R1.7 CC(=O)C1CCCN1 Q61985 [0,0,1,1,0,0|2,0,0]=4 521 B8R1.7 CC(=O)C1CCNC1 O31491 [0,0,1,1,0,0|2,0,0]=4 522 B8R1.7 CC(=O)[C@@H]1CCCN1 Q61986 [0,0,1,1,0,0|2,0,0]=4 523 B8R1.7 CC(=O)[C@@H]1CCCN1 Q62844 [0,0,1,1,0,0|2,0,0]=4 524 B8R1.7 CC(=O)[C@H]1CCCN1 Q62845 [0,0,1,1,0,0|2,0,0]=4 525 B8R1.7 CC(N)C1CCCC1 O30449 [0,0,1,1,0,0|1,0,1]=4 526 B8R1.7 CC(N)C1CCCC1 O33618 [0,0,1,1,0,0|1,0,1]=4 527 B8R1.7 C[C@H](N)C1CCCC1 Q59148 [0,0,1,1,0,0|1,0,1]=4 528 B8R1.7 NC(=O)C1CCCC1 P38833 [0,0,1,1,0,0|0,0,0]=2 529 B8R1.7 NC(=O)C1CCCN1 P39079 [0,0,1,1,0,0|1,0,0]=3 530 B8R1.7 NC(=O)C1CCCN1 P42514 [0,0,1,1,0,0|1,0,0]=3 531 B8R1.7 NC(=O)C1CCNC1 G-5260 [0,0,1,1,0,0|1,0,0]=3 532 B8R1.7 NC(=O)C1CCOC1 G-6625 [0,0,1,1,0,0|1,0,0]=3 533 B8R1.7 NC(=O)[C@@H]1CCCN1 I-9393 [0,0,1,1,0,0|1,0,0]=3 534 B8R1.7 NC(=O)[C@@H]1CCCN1 P45231 [0,0,1,1,0,0|1,0,0]=3 535 B8R1.7 NC(=O)[C@@H]1CCNC1 G-5262 [0,0,1,1,0,0|1,0,0]=3 536 B8R1.7 NC(=O)[C@@H]1CCNC1 G-7539 [0,0,1,1,0,0|1,0,0]=3 537 B8R1.7 NC(=O)[C@H]1CCNC1 G-5261 [0,0,1,1,0,0|1,0,0]=3 538 B8R1.7 NC(=O)[C@H]1CCNC1 Q51836 [0,0,1,1,0,0|1,0,0]=3 539 B8R1.7 O=C(O)C1CCNC1 G-5249 [0,0,1,1,0,0|2,0,0]=4 540 B8R1.7 O=C(O)C1CCOC1 C-3386 [0,0,1,1,0,0|2,0,0]=4 541 B8R1.7 O=C(O)[C@@H]1CCCN1 L13796 [0,0,1,1,0,0|2,0,0]=4 542 B8R1.7 O=C(O)[C@@H]1CCNC1 L18435 [0,0,1,1,0,0|2,0,0]=4 543 B8R1.7 O=C(O)[C@@H]1CCNC1 Q51834 [0,0,1,1,0,0|2,0,0]=4 544 B8R1.7 O=C(O)[C@@H]1CCOC1 C-2786 [0,0,1,1,0,0|2,0,0]=4 545 B8R1.7 O=C(O)[C@H]1CCNC1 G-5250 [0,0,1,1,0,0|2,0,0]=4 546 B8R1.7 O=C(O)[C@H]1CCNC1 P45277 [0,0,1,1,0,0|2,0,0]=4 547 B8R1.7 O=C(O)[C@H]1CCOC1 C-2785 [0,0,1,1,0,0|2,0,0]=4 548 B8R1.20 CC1CC1CC(=O)O O29360 [0,0,1,1,0,0|1,0,0]=3 549 B8R1.31 CC(=O)[C@@H]1CC[C@H]1C P50610 [0,0,1,1,0,0|1,0,0]=3 550 B8R1.31 CC(=O)[C@H]1CC[C@H]1C P45662 [0,0,1,1,0,0|1,0,0]=3 551 B8R1.31 CC1CCC1C(=O)O P45629 [0,0,1,1,0,0|1,0,0]=3 552 B8R1.31 CC1NCC1C(=O)O L22133 [0,0,1,1,0,0|2,0,0]=4 553 B8R1.31 CN1CCC1C(=O)O P49637 [0,0,1,1,0,0|2,0,0]=4 554 B8R1.31 CN1CC[C@@H]1C(=O)O H-8820 [0,0,1,1,0,0|2,0,0]=4 555 B8R1.31 CN1CC[C@H]1C(=O)O H-8821 [0,0,1,1,0,0|2,0,0]=4 556 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O L14485 [0,0,1,1,0,0|2,0,0]=4 557 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O P50093 [0,0,1,1,0,0|2,0,0]=4 558 B8R1.31 C[C@H]1NC[C@@H]1C(=O)O K13449 [0,0,1,1,0,0|2,0,0]=4 559 B8R1.31 NC(=O)C1CCC1N F-4228 [0,0,1,1,0,0|1,0,0]=3 560 B8R1.31 NC1CCC1C(=O)O P47809 [0,0,1,1,0,0|2,0,0]=4 561 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O P45363 [0,0,1,1,0,0|2,0,0]=4 562 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O L13901 [0,0,1,1,0,0|2,0,0]=4 563 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O P44744 [0,0,1,1,0,0|2,0,0]=4 564 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O P45102 [0,0,1,1,0,0|2,0,0]=4 565 B8R1.31 N[C@H]1CC[C@H]1C(=O)O L21391 [0,0,1,1,0,0|2,0,0]=4 566 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P45103 [0,0,1,1,0,0|2,0,0]=4 567 B8R1.31 N[C@H]1CC[C@H]1C(=O)O Q53487 [0,0,1,1,0,0|2,0,0]=4 568 B8R1.31 O=C(O)C1CCC1F P47126 [0,0,1,1,0,0|2,0,0]=4 569 B8R1.31 O=C(O)C1CCC1O P49194 [0,0,1,1,0,0|2,0,0]=4 570 B8R1.31 O=C(O)[C@H]1CC[C@@H]1O P48368 [0,0,1,1,0,0|2,0,0]=4 571 B8R1.34 CC(=O)CC1CCC1 P48892 [0,0,1,1,0,0|1,0,0]=3 572 B8R1.34 CC(=O)NC1CNC1 G-5840 [0,0,1,1,0,0|1,0,0]=3 573 B8R1.34 CC(=O)NC1CNC1 P44173 [0,0,1,1,0,0|1,0,0]=3 574 B8R1.34 CC(=O)OC1CNC1 P42388 [0,0,1,1,0,0|2,0,0]=4 575 B8R1.34 CC(=O)SC1CNC1 C-3406 [0,0,1,1,0,0|2,0,0]=4 576 B8R1.34 CC(=O)SC1CNC1 P50614 [0,0,1,1,0,0|2,0,0]=4 577 B8R1.34 CC(C)NC1CCC1 P48786 [0,0,1,1,0,0|1,0,1]=4 578 B8R1.34 CC(C)NC1CCC1 P49134 [0,0,1,1,0,0|1,0,1]=4 579 B8R1.34 N=C(N)CC1CCC1 P48135 [0,0,1,1,0,0|1,0,0]=3 580 B8R1.34 NC(=O)CC1CNC1 P47102 [0,0,1,1,0,0|1,0,0]=3 581 B8R1.34 NC(=O)CC1CNC1 P48716 [0,0,1,1,0,0|1,0,0]=3 582 B8R1.34 NC(=O)NC1CCC1 P45216 [0,0,1,1,0,0|1,0,0]=3 583 B8R1.34 NC(=S)NC1CCC1 P45454 [0,0,1,1,0,0|1,1,0]=4 584 B8R1.34 O=C(O)CC1CCC1 P44572 [0,0,1,1,0,0|1,0,0]=3 585 B8R1.34 O=C(O)CC1CCN1 P44826 [0,0,1,1,0,0|2,0,0]=4 586 B8R1.34 O=C(O)CC1CCO1 F-4762 [0,0,1,1,0,0|2,0,0]=4 587 B8R1.34 O=C(O)CC1CNC1 G-7532 [0,0,1,1,0,0|2,0,0]=4 588 B8R1.34 O=C(O)CC1CNC1 M22650 [0,0,1,1,0,0|2,0,0]=4 589 B8R1.34 O=C(O)CC1CNC1 P46867 [0,0,1,1,0,0|2,0,0]=4 590 B8R1.34 O=C(O)CC1COC1 F-4181 [0,0,1,1,0,0|2,0,0]=4 591 B8R1.34 O=C(O)CN1CCC1 H-8105 [0,0,1,1,0,0|2,0,0]=4 592 B8R1.34 O=C(O)C[C@@H]1CCO1 Q56144 [0,0,1,1,0,0|2,0,0]=4 593 B8R1.34 O=C(O)C[C@H]1CCO1 Q56143 [0,0,1,1,0,0|2,0,0]=4 594 B8R1.35 O=C(O)CCC1CC1 P37405 [0,0,1,1,0,0|1,0,0]=3 595 B8R1.43 NCC1CC1C(=O)O Q52566 [0,0,1,1,0,0|2,0,0]=4 596 B8R1.37 CCCC(=O)C1CC1 P45338 [0,0,1,1,0,0|1,0,0]=3 597 B8R2.22 C1=CC2NCC2C1 Q54796 [1,0,0,1,0,0|2,0,0]=4 598 B8R2.22 C1CC2CNC2C1 Q52162 [1,0,0,1,0,0|0,0,1]=3 599 B8R2.22 C1CC2CNCC12 G-7390 [1,0,0,1,0,0|0,0,1]=3 600 B8R2.22 C1CC2CNCC12 Q56567 [1,0,0,1,0,0|0,0,1]=3 601 B8R2.22 C1NC2COCC12 Q56927 [1,0,0,1,0,0|1,0,1]=4 602 B8R2.25 C1CCC2NC2C1 Q58068 [1,0,0,1,0,0|0,0,1]=3 603 B8R2.25 C1CNC2CC2C1 Q57310 [1,0,0,1,0,0|0,0,1]=3 604 B8R2.25 C1CNC2CC2N1 O33195 [1,0,0,1,0,0|1,0,1]=4 605 B8R2.25 C1CN[C@H]2C[C@H]2C1 Q58108 [1,0,0,1,0,0|0,0,1]=3 606 B8R2.25 C1COC2CC2N1 Q57311 [1,0,0,1,0,0|1,0,1]=4 607 B8R2.25 C1COC2CC2N1 Q57312 [1,0,0,1,0,0|1,0,1]=4 608 B8R2.18 NC1CC2CC2C1 F-4590 [0,0,0,1,1,0|1,0,1]=4 609 B8R2.18 NC1CC2CC2C1 L22469 [0,0,0,1,1,0|1,0,1]=4 610 B8R2.18 N[C@H]1C[C@@H]2C[C@@H]2C1 Q55517 [0,0,0,1,1,0|1,0,1]=4 611 B8R2.18 OC1CC2CC2C1 P44932 [0,0,0,1,1,0|0,0,2]=4 612 B8R2.18 O[C@H]1C[C@@H]2C[C@@H]2C1 Q55704 [0,0,0,1,1,0|0,0,2]=4 613 B8R2.34 C1CC2CC1CN2 L21596 [0,0,0,1,1,0|1,0,1]=4 614 B8R2.34 C1CC2CC1CN2 P45371 [0,0,0,1,1,0|1,0,1]=4 615 B8R2.34 C1CC2CCC1N2 C-3483 [0,0,0,1,1,0|1,0,1]=4 616 B8R2.34 C1CC2CCC1N2 G-7486 [0,0,0,1,1,0|1,0,1]=4 617 B8R2.34 C1C[C@@H]2C[C@H]1CN2 Q53432 [0,0,0,1,1,0|1,0,1]=4 618 B8R2.34 C1C[C@@H]2C[C@H]1CN2 Q53433 [0,0,0,1,1,0|1,0,1]=4 619 B8R2.34 C1C[C@H]2CN[C@@H]1C2 Q53434 [0,0,0,1,1,0|1,0,1]=4 620 B8R2.34 C1C[C@H]2CN[C@@H]1C2 Q53435 [0,0,0,1,1,0|1,0,1]=4 621 B8R2.38 NC1CCC2CC12 Q56246 [0,0,0,1,1,0|1,0,1]=4 622 B8R2.38 NC1CCC2CC12 Q56247 [0,0,0,1,1,0|1,0,1]=4 623 B8R2.38 O=C1CC[C@@H]2C[C@H]12 Q52888 [0,0,0,1,1,0|0,0,0]=2 624 B8R2.38 O=C1CC[C@H]2C[C@@H]12 Q52887 [0,0,0,1,1,0|0,0,0]=2 625 B8R2.38 O=C1CNC2CC12 H-8711 [0,0,0,1,1,0|1,0,0]=3 626 B8R2.38 O=C1NCC2CC12 Q61923 [0,0,0,1,1,0|0,0,0]=2 627 B10R2.2 O=C1CC2CC=CC2N1 Q51975 [0,0,0,1,0,1|0,0,1]=3 628 B10R2.2 O=C1CC2CCOC2O1 Q59460 [0,0,0,1,0,1|1,0,0]=3 629 B10R2.2 O=C1CC2CNCC2N1 Q55263 [0,0,0,1,0,1|0,0,0]=2 630 B10R2.2 O=C1CC2CSCC2C1 G-7777 [0,0,0,1,0,1|1,0,0]=3 631 B10R2.2 O=C1C[C@@H]2COC[C@@H]2C1 Q64138 [0,0,0,1,0,1|1,0,0]=3 632 B10R2.2 O=C1C[C@@H]2COC[C@H]2C1 Q64139 [0,0,0,1,0,1|1,0,0]=3 633 B10R2.2 O=C1C[C@H]2CCC[C@H]2N1 Q61894 [0,0,0,1,0,1|0,0,0]=2 634 B10R2.2 [C@@H]12CNC[C@@H]1CC(=O)C2 I-9320 [0,0,0,1,0,1|1,0,0]=3 635 B10R2.2 [C@@H]12CNC[C@@H]1CC(=O)C2 L14391 [0,0,0,1,0,1|1,0,0]=3 636 B10R2.2 [C@H]12CNC[C@H]1NC(=O)C2 Q52185 [0,0,0,1,0,1|0,0,0]=2 637 B10R2.32 O=C1CCN2CCCC12 Q59293 [0,0,0,1,0,1|1,0,0]=3 638 B10R2.32 [C@@H]12CCN[C@@H]1C(=O)NC2 G-7863 [0,0,0,1,0,1|0,0,0]=2 639 B10R2.32 [C@@H]12CNC(=O)[C@@H]1COC2 Q61922 [0,0,0,1,0,1|0,0,0]=2 640 B10R2.32 [C@@H]12CNC[C@@H]1CNC2=O P50760 [0,0,0,1,0,1|0,0,0]=2 641 B10R2.32 [C@@H]12CNC[C@@H]1CNC2=O Q55529 [0,0,0,1,0,1|0,0,0]=2 642 B10R2.138 C1CC2CCC(CN1)O2 L19897 [0,0,0,1,0,1|0,0,2]=4 643 B10R2.138 C1CC2CCC(CN1)O2 P45302 [0,0,0,1,0,1|0,0,2]=4 644 B10R2.138 C1C[C@@H]2CC[C@H](CN1)O2 P50040 [0,0,0,1,0,1|0,0,2]=4 645 B10R2.138 C1C[C@H]2CC[C@@H](CN1)O2 P46522 [0,0,0,1,0,1|0,0,2]=4 646 B10R2.201 FC12CCCC1CNC2 Q54390 [0,0,0,1,0,1|1,0,1]=4 647 B10R2.320 O=C1N[C@@H]2CCCC[C@H]12 Q58792 [0,0,0,1,0,1|0,0,0]=2 648 B10R2.408 C1CC2CNCC(C1)C2 P43920 [0,0,0,1,0,1|1,0,1]=4 649 B10R2.408 C1CC2CNCC(C1)O2 P49679 [0,0,0,1,0,1|0,0,2]=4 650 B10R2.61 O=C1CC2CCCC1N2 P46614 [0,1,0,1,0,0|1,0,0]=3 651 B10R2.61 O=C1CC2CCCC1N2 P50750 [0,1,0,1,0,0|1,0,0]=3 652 B10R2.61 O=C1CN2CCCC1C2 P45592 [0,1,0,1,0,0|2,0,0]=4 653 B10R2.61 O=C1NC2CCCC1C2 K16106 [0,1,0,1,0,0|0,0,0]=2 654 B10R2.178 O=C1CCC2CCC1N2 L18137 [0,1,0,1,0,0|1,0,0]=3 655 B10R2.178 O=C1CCC2CCC1N2 P43913 [0,1,0,1,0,0|1,0,0]=3 656 B10R2.178 O=C1CCN2CCC1C2 P47280 [0,1,0,1,0,0|2,0,0]=4 657 B10R2.178 O=C1NCC2CCC1N2 L13321 [0,1,0,1,0,0|0,0,0]=2 658 B10R2.178 O=C1NCC2CCC1N2 P45933 [0,1,0,1,0,0|0,0,0]=2 659 B10R2.42 O=C1OC(=O)C2CCC12 H-8771 [0,1,0,1,0,0|1,0,1]=4 660 B10R2.71 C=C1CC2CCC(C1)N2 L18789 [0,1,0,1,0,0|2,0,0]=4 661 B10R2.71 O=C1CC2CCC(C1)C2 G-7015 [0,1,0,1,0,0|1,0,0]=3 662 B10R2.71 O=C1CC2CCC(C1)N2 C-3492 [0,1,0,1,0,0|1,0,0]=3 663 B10R2.71 O=C1CC2CCC(C1)O2 G-6882 [0,1,0,1,0,0|1,0,0]=3 664 B10R2.71 O=C1CC2CNC(C1)C2 P48499 [0,1,0,1,0,0|2,0,0]=4 665 B10R2.177 CC12CC(=O)CCC1C2 Q57147 [0,1,0,1,0,0|1,0,0]=3 666 B10R2.179 CC12CCCC(=O)C1C2 Q52396 [0,1,0,1,0,0|1,0,0]=3 667 B10R2.409 C1CC2COC(C1)CN2 P48769 [0,1,0,1,0,0|0,0,2]=4 668 B10R2.109 O=CC1CCC2CC2C1 Q57298 [0,1,0,1,0,0|1,0,1]=4 669 B10R2.120 O=CC12CCCCC1C2 Q57300 [0,1,0,1,0,0|1,0,1]=4 670 B6R1.1 C1=CCNCC1 C-2421 [1,0,0,0,1,0|0,0,2]=4 671 B6R1.1 C1=CCOCC1 G-7030 [1,0,0,0,1,0|1,0,1]=4 672 B6R1.2 CC1CCCN1 Q61737 [0,0,0,0,2,0|1,0,1]=4 673 B6R1.2 C[C@@H]1CCCN1 L14631 [0,0,0,0,2,0|1,0,1]=4 674 B6R1.2 IC1CCCC1 I-9679 [0,0,0,0,2,0|1,0,1]=4 675 B6R1.2 NN1CCCC1 M23462 [0,0,0,0,2,0|2,0,0]=4 676 B6R1.2 O=C1CCNC1 C-2247 [0,0,0,0,2,0|1,0,0]=3 677 B6R1.2 O=C1CCNC1 S72535 [0,0,0,0,2,0|1,0,0]=3 678 B6R1.2 O=C1CCOC1 B-1767 [0,0,0,0,2,0|1,0,0]=3 679 B6R1.2 O=C1CCSC1 G-7753 [0,0,0,0,2,0|1,0,0]=3 680 B6R1.2 S=C1NCCO1 O31137 [0,0,0,0,2,0|1,1,0]=4