0 B7R0.3 CCCC[C@@H](N)CO P35979 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.3 CCCC[C@H](N)CO P35978 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.3 CCCNC(=O)CN P36648 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.3 CCOCC(O)CN L19068 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.3 CC\C=C\C(=O)OC Q70108 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.3 CNC(=O)CCCN P40550 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.3 CNCCC(=O)NC P37767 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.3 CNCCC(=O)OC P36826 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.3 COC(=O)CN=[N+]=[N-] P40367 [0,0,0,0,0,0|4,0,0]=4 9 B7R0.3 CSCCC(N)CO P37819 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.1 CCC(=O)CC#N P38761 [1,0,0,0,0,0|1,0,1]=3 11 B6R0.1 CCC(S)CCO O29430 [1,0,0,0,0,0|1,1,1]=4 12 B6R0.1 CCC[C@@H](N)CO P35977 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.1 CCC[C@H](N)CO P39535 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.1 CCN(C)CCO Q66070 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.1 CCNC(=O)CN P39222 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.1 CCNC(=O)CO O31312 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.1 CCNC(=O)NC M15284 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.1 CCOC(=N)CCl P38507 [1,0,0,0,0,0|3,0,0]=4 19 B6R0.1 CNC(=O)CCCl P38167 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.1 CNC(=O)CCN P37692 [1,0,0,0,0,0|2,0,0]=3 21 B6R0.1 CNCC(=O)NC P37691 [1,0,0,0,0,0|2,0,0]=3 22 B6R0.1 CNCC(=O)NC P38046 [1,0,0,0,0,0|2,0,0]=3 23 B6R0.4 C#CCNC(C)=O P36776 [1,0,0,0,0,0|1,0,2]=4 24 B6R0.4 CCNCC(=O)O P37534 [1,0,0,0,0,0|2,0,0]=3 25 B6R0.4 CCNCC(N)=O P36580 [1,0,0,0,0,0|2,0,0]=3 26 B6R0.4 CN(C)CCCBr O34500 [1,0,0,0,0,0|3,0,0]=4 27 B6R0.4 CNCCC(=O)O P36779 [1,0,0,0,0,0|2,0,0]=3 28 B6R0.4 CNCCC(=O)O P39205 [1,0,0,0,0,0|2,0,0]=3 29 B6R0.4 CNCCC(C)O P38146 [1,0,0,0,0,0|1,0,2]=4 30 B6R0.4 CNCCC(N)=O P37896 [1,0,0,0,0,0|2,0,0]=3 31 B6R0.6 CNCCCCN L19491 [1,0,0,0,0,0|2,0,1]=4 32 B6R0.6 CNCCCOC P37437 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.6 COCCCCN O29739 [1,0,0,0,0,0|2,0,1]=4 34 B8R0.1 C=CCOC(=O)CCC Q69608 [0,1,0,0,0,0|1,0,2]=4 35 B8R0.1 CCC#CC(=O)OCC Q56870 [0,1,0,0,0,0|0,0,2]=3 36 B8R0.1 CCCCN(C)CCO Q66068 [0,1,0,0,0,0|2,0,0]=3 37 B8R0.1 CCCNC(=O)CCN P42190 [0,1,0,0,0,0|1,0,0]=2 38 B8R0.1 CCCNC(=O)CNC P35278 [0,1,0,0,0,0|1,0,0]=2 39 B8R0.1 CCCNC(=O)CNC P42832 [0,1,0,0,0,0|1,0,0]=2 40 B8R0.1 CCOC(=O)CN=[N+]=[N-] P36907 [0,1,0,0,0,0|3,0,0]=4 41 B8R0.3 C#CC[C@@H](N)C(=O)OC Q65834 [0,1,0,0,0,0|1,0,2]=4 42 B8R0.3 C#CC[C@H](N)C(=O)OC P40730 [0,1,0,0,0,0|1,0,2]=4 43 B8R0.3 CCCC(N)C(=O)OC P43113 [0,1,0,0,0,0|1,0,0]=2 44 B8R0.6 CNCCCC(=O)OC H-8710 [0,1,0,0,0,0|1,0,0]=2 45 B8R0.6 COC(=O)CCCCN P38983 [0,1,0,0,0,0|1,0,0]=2 46 B8R0.8 CC(C)C(=O)NCCN P37576 [0,1,0,0,0,0|2,0,0]=3 47 B8R0.8 CNCCC(=O)N(C)C P40566 [0,1,0,0,0,0|2,0,0]=3 48 B8R0.9 CC(C)CNC(=O)CCl P38819 [0,1,0,0,0,0|2,0,0]=3 49 B8R0.9 COC(=O)CNC(C)=O P42621 [0,1,0,0,0,0|2,0,1]=4 50 B8R0.9 NCC(=O)CCC(=O)O P37517 [0,1,0,0,0,0|2,0,1]=4 51 B8R0.9 NCC(=O)NCC(F)F P51197 [0,1,0,0,0,0|3,0,0]=4 52 B8R1.1 C=CC1CCC(=O)C1 Q57034 [0,0,0,1,0,0|0,0,2]=3 53 B8R1.1 C=CC1COC(=O)C1 F-4407 [0,0,0,1,0,0|1,0,2]=4 54 B8R1.1 CCC1CCC(C)N1 Q59319 [0,0,0,1,0,0|1,0,1]=3 55 B8R1.1 CCN1CCC(N)C1 L21975 [0,0,0,1,0,0|2,0,1]=4 56 B8R1.1 CCN1CCC(N)C1 O30179 [0,0,0,1,0,0|2,0,1]=4 57 B8R1.1 CCN1CC[C@@H](N)C1 L21955 [0,0,0,1,0,0|2,0,1]=4 58 B8R1.1 CCN1CC[C@H](N)C1 L21974 [0,0,0,1,0,0|2,0,1]=4 59 B8R1.1 CN1CCC(CO)C1 O34373 [0,0,0,1,0,0|3,0,0]=4 60 B8R1.1 CN1CC[C@@H](CN)C1 I-9757 [0,0,0,1,0,0|3,0,0]=4 61 B8R1.1 CN1CC[C@@H](CN)C1 L14238 [0,0,0,1,0,0|3,0,0]=4 62 B8R1.1 CN1CC[C@@H](CO)C1 G-5013 [0,0,0,1,0,0|3,0,0]=4 63 B8R1.1 CN1CC[C@H](CN)C1 I-9844 [0,0,0,1,0,0|3,0,0]=4 64 B8R1.1 CN1CC[C@H](CO)C1 G-5012 [0,0,0,1,0,0|3,0,0]=4 65 B8R1.1 CNC1CCN(C)C1 G-5265 [0,0,0,1,0,0|3,0,0]=4 66 B8R1.1 CNC1CNC(=O)C1 L19088 [0,0,0,1,0,0|2,0,0]=3 67 B8R1.1 CN[C@@H]1CCN(C)C1 I-9892 [0,0,0,1,0,0|3,0,0]=4 68 B8R1.1 CN[C@H]1CCN(C)C1 I-9891 [0,0,0,1,0,0|3,0,0]=4 69 B8R1.1 CN[C@H]1CNC(=O)C1 Q61671 [0,0,0,1,0,0|2,0,0]=3 70 B8R1.1 COC1CCC(N)C1 L22158 [0,0,0,1,0,0|2,0,1]=4 71 B8R1.1 COC1CCC(N)C1 Q52668 [0,0,0,1,0,0|2,0,1]=4 72 B8R1.1 COC1CCC(O)C1 Q57014 [0,0,0,1,0,0|1,0,2]=4 73 B8R1.1 COC1CCN(N)C1 O29317 [0,0,0,1,0,0|3,0,0]=4 74 B8R1.1 CO[C@@H]1CC[C@@H](N)C1 O33204 [0,0,0,1,0,0|2,0,1]=4 75 B8R1.1 CO[C@@H]1CC[C@@H](N)C1 Q64245 [0,0,0,1,0,0|2,0,1]=4 76 B8R1.1 CO[C@@H]1CC[C@@H](O)C1 Q56989 [0,0,0,1,0,0|1,0,2]=4 77 B8R1.1 CO[C@@H]1CC[C@H](N)C1 Q64243 [0,0,0,1,0,0|2,0,1]=4 78 B8R1.1 CO[C@@H]1CC[C@H](N)C1 Q64248 [0,0,0,1,0,0|2,0,1]=4 79 B8R1.1 CO[C@@H]1CC[C@H](O)C1 Q57013 [0,0,0,1,0,0|1,0,2]=4 80 B8R1.1 CO[C@H]1CC[C@@H](N)C1 O33413 [0,0,0,1,0,0|2,0,1]=4 81 B8R1.1 CO[C@H]1CC[C@@H](N)C1 Q64247 [0,0,0,1,0,0|2,0,1]=4 82 B8R1.1 CO[C@H]1CC[C@H](N)C1 Q64244 [0,0,0,1,0,0|2,0,1]=4 83 B8R1.1 CO[C@H]1CC[C@H](N)C1 Q64246 [0,0,0,1,0,0|2,0,1]=4 84 B8R1.1 C[C@@H]1CC[C@H](CO)N1 Q59341 [0,0,0,1,0,0|2,0,1]=4 85 B8R1.1 N#CC1CNC(=O)C1 P45137 [0,0,0,1,0,0|2,0,1]=4 86 B8R1.1 N#C[C@@H]1CCC(=O)C1 Q55084 [0,0,0,1,0,0|1,0,1]=3 87 B8R1.1 N#C[C@H]1CCC(=O)C1 Q55085 [0,0,0,1,0,0|1,0,1]=3 88 B8R1.1 NCC1CCC(F)C1 Q52913 [0,0,0,1,0,0|2,0,1]=4 89 B8R1.1 NCC1CNC(=O)C1 G-5016 [0,0,0,1,0,0|2,0,0]=3 90 B8R1.1 NCC1CNC(=O)C1 G-5352 [0,0,0,1,0,0|2,0,0]=3 91 B8R1.1 NCC1CNC(=O)O1 F-4726 [0,0,0,1,0,0|3,0,0]=4 92 B8R1.1 NCC1CNC(=O)O1 L13152 [0,0,0,1,0,0|3,0,0]=4 93 B8R1.1 NCC1COC(=O)N1 L13942 [0,0,0,1,0,0|3,0,0]=4 94 B8R1.1 NC[C@@H]1CCC(=O)N1 10036 [0,0,0,1,0,0|2,0,0]=3 95 B8R1.1 NC[C@@H]1CCC(=O)N1 O33611 [0,0,0,1,0,0|2,0,0]=3 96 B8R1.1 NC[C@@H]1CC[C@@H](F)C1 Q52915 [0,0,0,1,0,0|2,0,1]=4 97 B8R1.1 NC[C@@H]1CC[C@@H](O)C1 Q57119 [0,0,0,1,0,0|1,0,2]=4 98 B8R1.1 NC[C@@H]1CC[C@H](O)C1 Q57118 [0,0,0,1,0,0|1,0,2]=4 99 B8R1.1 NC[C@@H]1CNC(=O)C1 I-9821 [0,0,0,1,0,0|2,0,0]=3 100 B8R1.1 NC[C@@H]1CNC(=O)C1 L13273 [0,0,0,1,0,0|2,0,0]=3 101 B8R1.1 NC[C@@H]1CNC(=O)O1 L13195 [0,0,0,1,0,0|3,0,0]=4 102 B8R1.1 NC[C@H]1CCC(=O)N1 10096 [0,0,0,1,0,0|2,0,0]=3 103 B8R1.1 NC[C@H]1CC[C@@H](F)C1 Q52914 [0,0,0,1,0,0|2,0,1]=4 104 B8R1.1 NC[C@H]1CC[C@@H](O)C1 Q57121 [0,0,0,1,0,0|1,0,2]=4 105 B8R1.1 NC[C@H]1CC[C@H](O)C1 Q57120 [0,0,0,1,0,0|1,0,2]=4 106 B8R1.1 NC[C@H]1CNC(=O)C1 I-9497 [0,0,0,1,0,0|2,0,0]=3 107 B8R1.1 NC[C@H]1CNC(=O)C1 L13364 [0,0,0,1,0,0|2,0,0]=3 108 B8R1.1 NC[C@H]1CNC(=O)O1 L22235 [0,0,0,1,0,0|3,0,0]=4 109 B8R1.1 O=C1CC(CO)CN1 M22864 [0,0,0,1,0,0|2,0,0]=3 110 B8R1.1 O=C1CC(CO)CO1 H-8701 [0,0,0,1,0,0|2,0,0]=3 111 B8R1.1 O=C1CCC(CO)C1 Q62791 [0,0,0,1,0,0|1,0,0]=2 112 B8R1.1 O=C1CCC(CO)N1 M23573 [0,0,0,1,0,0|2,0,0]=3 113 B8R1.1 O=C1CC[C@@H](CBr)C1 Q64130 [0,0,0,1,0,0|1,0,0]=2 114 B8R1.1 O=C1CC[C@@H](CBr)N1 P36413 [0,0,0,1,0,0|2,0,0]=3 115 B8R1.1 O=C1CC[C@@H](CF)N1 Q59250 [0,0,0,1,0,0|2,0,0]=3 116 B8R1.1 O=C1CC[C@@H](CO)C1 Q62794 [0,0,0,1,0,0|1,0,0]=2 117 B8R1.1 O=C1CC[C@@H](CO)O1 K12361 [0,0,0,1,0,0|2,0,0]=3 118 B8R1.1 O=C1CC[C@H](CBr)C1 Q64129 [0,0,0,1,0,0|1,0,0]=2 119 B8R1.1 O=C1CC[C@H](CBr)N1 P34760 [0,0,0,1,0,0|2,0,0]=3 120 B8R1.1 O=C1CC[C@H](CO)C1 Q62792 [0,0,0,1,0,0|1,0,0]=2 121 B8R1.1 O=C1NCC(CO)O1 F-4693 [0,0,0,1,0,0|3,0,0]=4 122 B8R1.1 O=C1NC[C@@H](CO)O1 L13350 [0,0,0,1,0,0|3,0,0]=4 123 B8R1.1 O=C1N[C@@H](CI)CO1 10034 [0,0,0,1,0,0|3,0,0]=4 124 B8R1.1 O=C1N[C@@H](CO)CO1 10001 [0,0,0,1,0,0|3,0,0]=4 125 B8R1.1 O=C1N[C@@H](CO)CS1 K13391 [0,0,0,1,0,0|3,0,0]=4 126 B8R1.1 O=C1N[C@H](CO)CO1 10026 [0,0,0,1,0,0|3,0,0]=4 127 B8R1.1 O=C1N[C@H](CO)CS1 K13390 [0,0,0,1,0,0|3,0,0]=4 128 B8R1.1 OCC1CCC(F)C1 Q52910 [0,0,0,1,0,0|2,0,1]=4 129 B8R1.1 OC[C@@H]1CC[C@@H](F)C1 Q52912 [0,0,0,1,0,0|2,0,1]=4 130 B8R1.1 OC[C@H]1CC[C@@H](F)C1 Q52911 [0,0,0,1,0,0|2,0,1]=4 131 B8R1.2 BrCC1=CCCCC1 G-7545 [0,0,0,1,0,0|2,0,0]=3 132 B8R1.2 BrCC1=CCOCC1 Q54593 [0,0,0,1,0,0|3,0,0]=4 133 B8R1.2 CCC1CCNCC1 P41021 [0,0,0,1,0,0|2,0,1]=4 134 B8R1.2 CCC1CNCCO1 B-1069 [0,0,0,1,0,0|1,0,2]=4 135 B8R1.2 CCC1COCCN1 B-1066 [0,0,0,1,0,0|2,0,1]=4 136 B8R1.2 CC[C@@H]1CCCCN1 Q54717 [0,0,0,1,0,0|1,0,1]=3 137 B8R1.2 CC[C@@H]1CCCNC1 Q61422 [0,0,0,1,0,0|2,0,1]=4 138 B8R1.2 CC[C@@H]1CNCCO1 B-1071 [0,0,0,1,0,0|1,0,2]=4 139 B8R1.2 CC[C@@H]1COCCN1 B-1064 [0,0,0,1,0,0|2,0,1]=4 140 B8R1.2 CC[C@H]1CCCNC1 Q61421 [0,0,0,1,0,0|2,0,1]=4 141 B8R1.2 CC[C@H]1CNCCO1 B-1070 [0,0,0,1,0,0|1,0,2]=4 142 B8R1.2 CC[C@H]1COCCN1 B-1065 [0,0,0,1,0,0|2,0,1]=4 143 B8R1.2 COC1=CCOCC1 G-7495 [0,0,0,1,0,0|3,0,0]=4 144 B8R1.2 FCC1CCCCN1 Q52081 [0,0,0,1,0,0|2,0,1]=4 145 B8R1.2 FC[C@@H]1CCCCN1 Q52082 [0,0,0,1,0,0|2,0,1]=4 146 B8R1.2 FC[C@H]1CCCCN1 Q52083 [0,0,0,1,0,0|2,0,1]=4 147 B8R1.2 NCC1=CCCCC1 P38792 [0,0,0,1,0,0|2,0,0]=3 148 B8R1.2 NCC1=CCOCC1 Q54594 [0,0,0,1,0,0|3,0,0]=4 149 B8R1.2 NCC1CCCCS1 Q57980 [0,0,0,1,0,0|1,1,1]=4 150 B8R1.2 NC[C@@H]1CCCCO1 Q62567 [0,0,0,1,0,0|1,0,2]=4 151 B8R1.2 NC[C@H]1CCCCO1 Q62568 [0,0,0,1,0,0|1,0,2]=4 152 B8R1.2 OCC1=CCCCO1 Q54672 [0,0,0,1,0,0|1,0,2]=4 153 B8R1.2 OCC1=CCOCC1 Q54592 [0,0,0,1,0,0|3,0,0]=4 154 B8R1.2 OCC1CCCCS1 Q57888 [0,0,0,1,0,0|1,1,1]=4 155 B8R1.2 OC[C@@H]1CCCCN1 M23455 [0,0,0,1,0,0|2,0,1]=4 156 B8R1.2 OC[C@@H]1CCCCO1 F-4789 [0,0,0,1,0,0|1,0,2]=4 157 B8R1.2 OC[C@H]1CCCCN1 M23615 [0,0,0,1,0,0|2,0,1]=4 158 B8R1.2 OC[C@H]1CCCCO1 P43928 [0,0,0,1,0,0|1,0,2]=4 159 B8R1.3 C=C1CCC(=O)CC1 P44029 [0,0,0,1,0,0|0,0,2]=3 160 B8R1.3 C=C1CCC(N)CC1 L19013 [0,0,0,1,0,0|2,0,0]=3 161 B8R1.3 CC1C=CC(=O)CC1 K12331 [0,0,0,1,0,0|0,0,2]=3 162 B8R1.3 CC1CCC(=O)NC1 L13409 [0,0,0,1,0,0|1,0,0]=2 163 B8R1.3 CC1CCC(F)CN1 Q64642 [0,0,0,1,0,0|2,0,1]=4 164 B8R1.3 CC1CCC(O)CN1 Q61256 [0,0,0,1,0,0|1,0,2]=4 165 B8R1.3 CC1CCC(O)CN1 Q61257 [0,0,0,1,0,0|1,0,2]=4 166 B8R1.3 CC1CNC(=O)CN1 P35228 [0,0,0,1,0,0|2,0,0]=3 167 B8R1.3 CN1CCC(I)CC1 Q65219 [0,0,0,1,0,0|2,0,1]=4 168 B8R1.3 CN1CCC(N)CC1 G-5240 [0,0,0,1,0,0|2,0,1]=4 169 B8R1.3 C[C@@H]1CCC(=O)CN1 Q56751 [0,0,0,1,0,0|1,0,0]=2 170 B8R1.3 C[C@@H]1CCC(=O)CN1 Q56752 [0,0,0,1,0,0|1,0,0]=2 171 B8R1.3 C[C@@H]1CC[C@@H](O)CN1 Q56745 [0,0,0,1,0,0|1,0,2]=4 172 B8R1.3 C[C@@H]1CC[C@H](O)CN1 P45650 [0,0,0,1,0,0|1,0,2]=4 173 B8R1.3 C[C@@H]1CC[C@H](O)CN1 Q56748 [0,0,0,1,0,0|1,0,2]=4 174 B8R1.3 C[C@@H]1CC[C@H](O)CN1 Q56749 [0,0,0,1,0,0|1,0,2]=4 175 B8R1.3 C[C@@H]1CNC(=O)CN1 L14453 [0,0,0,1,0,0|2,0,0]=3 176 B8R1.3 C[C@H]1CCC(=O)CN1 Q56753 [0,0,0,1,0,0|1,0,0]=2 177 B8R1.3 C[C@H]1CCC(=O)CN1 Q56754 [0,0,0,1,0,0|1,0,0]=2 178 B8R1.3 C[C@H]1CC[C@@H](O)CN1 P50092 [0,0,0,1,0,0|1,0,2]=4 179 B8R1.3 C[C@H]1CC[C@@H](O)CN1 Q56719 [0,0,0,1,0,0|1,0,2]=4 180 B8R1.3 C[C@H]1CC[C@H](N)CC1 P45887 [0,0,0,1,0,0|1,0,1]=3 181 B8R1.3 C[C@H]1CC[C@H](O)CN1 Q56728 [0,0,0,1,0,0|1,0,2]=4 182 B8R1.3 C[C@H]1CC[C@H](O)CN1 Q56729 [0,0,0,1,0,0|1,0,2]=4 183 B8R1.3 C[C@H]1CNC(=O)CN1 L13879 [0,0,0,1,0,0|2,0,0]=3 184 B8R1.3 NC1CCC(=O)CC1 P36686 [0,0,0,1,0,0|1,0,0]=2 185 B8R1.3 NC1CCC(=O)NC1 C-3401 [0,0,0,1,0,0|2,0,0]=3 186 B8R1.3 NC1CCC(F)CC1 P48099 [0,0,0,1,0,0|2,0,1]=4 187 B8R1.3 NC1CCC(F)CC1 Q57430 [0,0,0,1,0,0|2,0,1]=4 188 B8R1.3 NC1CCC(O)CC1 P44662 [0,0,0,1,0,0|1,0,2]=4 189 B8R1.3 NC1CCC(O)CC1 P44669 [0,0,0,1,0,0|1,0,2]=4 190 B8R1.3 NC1CCS(=O)CC1 Q54883 [0,0,0,1,0,0|2,0,0]=3 191 B8R1.3 NC1CCS(=O)CC1 Q54884 [0,0,0,1,0,0|2,0,0]=3 192 B8R1.3 NN1CCC(O)CC1 P51626 [0,0,0,1,0,0|3,0,0]=4 193 B8R1.3 N[C@@H]1CCC(=O)NC1 L21492 [0,0,0,1,0,0|2,0,0]=3 194 B8R1.3 N[C@H]1CCC(=O)NC1 L21629 [0,0,0,1,0,0|2,0,0]=3 195 B8R1.3 N[C@H]1CC[C@@H](F)CC1 P44838 [0,0,0,1,0,0|2,0,1]=4 196 B8R1.3 N[C@H]1CC[C@@H](O)CC1 L13980 [0,0,0,1,0,0|1,0,2]=4 197 B8R1.3 N[C@H]1CC[C@H](F)CC1 P44837 [0,0,0,1,0,0|2,0,1]=4 198 B8R1.3 N[C@H]1CC[C@H](N)CC1 Q69448 [0,0,0,1,0,0|2,0,1]=4 199 B8R1.3 N[C@H]1CC[C@H](O)CC1 G-6922 [0,0,0,1,0,0|1,0,2]=4 200 B8R1.3 N[C@H]1CC[C@H](O)CC1 P45541 [0,0,0,1,0,0|1,0,2]=4 201 B8R1.3 O=C1CCC(=O)NC1 Q52611 [0,0,0,1,0,0|2,0,1]=4 202 B8R1.3 O=C1CCC(=O)OC1 K12424 [0,0,0,1,0,0|2,0,1]=4 203 B8R1.3 O=C1CCC(Br)CC1 P39565 [0,0,0,1,0,0|1,0,0]=2 204 B8R1.3 O=C1CCC(F)CC1 L21631 [0,0,0,1,0,0|1,0,0]=2 205 B8R1.3 O=C1CCC(F)CN1 Q54421 [0,0,0,1,0,0|2,0,0]=3 206 B8R1.3 O=C1CC[C@H](O)CN1 Q52728 [0,0,0,1,0,0|2,0,0]=3 207 B8R1.3 O=S1CCC(O)CC1 Q57900 [0,0,0,1,0,0|2,0,0]=3 208 B8R1.3 OC1CCC(Br)CC1 P44927 [0,0,0,1,0,0|1,0,2]=4 209 B8R1.3 OC1CCC(F)CC1 P43964 [0,0,0,1,0,0|1,0,2]=4 210 B8R1.3 O[C@H]1CC[C@@H](F)CC1 P44855 [0,0,0,1,0,0|1,0,2]=4 211 B8R1.3 O[C@H]1CC[C@@H](O)CC1 L13038 [0,0,0,1,0,0|1,0,2]=4 212 B8R1.3 O[C@H]1CC[C@H](F)CC1 P47218 [0,0,0,1,0,0|1,0,2]=4 213 B8R1.3 O[C@H]1CC[C@H](S)CC1 P45358 [0,0,0,1,0,0|1,0,2]=4 214 B8R1.5 CC1CCCNC1=O L13669 [0,0,0,1,0,0|1,0,0]=2 215 B8R1.5 CC1CCNCC1=O F-4040 [0,0,0,1,0,0|1,0,0]=2 216 B8R1.5 CC1CCNCC1C Q59916 [0,0,0,1,0,0|2,0,1]=4 217 B8R1.5 CC1CCNCC1F Q59913 [0,0,0,1,0,0|2,0,1]=4 218 B8R1.5 CC1CCNCC1O F-4041 [0,0,0,1,0,0|1,0,2]=4 219 B8R1.5 CC1CCNCC1O G-7991 [0,0,0,1,0,0|1,0,2]=4 220 B8R1.5 CC1CNCCC1=O O34502 [0,0,0,1,0,0|1,0,0]=2 221 B8R1.5 CC1CNCCC1F Q54399 [0,0,0,1,0,0|2,0,1]=4 222 B8R1.5 CC1CNCCC1F Q54400 [0,0,0,1,0,0|2,0,1]=4 223 B8R1.5 CC1CNCCC1O I-9227 [0,0,0,1,0,0|1,0,2]=4 224 B8R1.5 CC1COCCC1=O F-4697 [0,0,0,1,0,0|1,0,0]=2 225 B8R1.5 CC1NCCCC1O Q61133 [0,0,0,1,0,0|1,0,2]=4 226 B8R1.5 CC1NCCNC1=O O34501 [0,0,0,1,0,0|2,0,0]=3 227 B8R1.5 CN1CCNCC1=O G-5499 [0,0,0,1,0,0|2,0,0]=3 228 B8R1.5 CN1CCNCC1=O G-5499-1 [0,0,0,1,0,0|2,0,0]=3 229 B8R1.5 C[C@@H]1CCCC[C@@H]1N O34546 [0,0,0,1,0,0|1,0,1]=3 230 B8R1.5 C[C@@H]1CCCC[C@@H]1N P46167 [0,0,0,1,0,0|1,0,1]=3 231 B8R1.5 C[C@@H]1CCCC[C@H]1N P44819 [0,0,0,1,0,0|1,0,1]=3 232 B8R1.5 C[C@@H]1CCCC[C@H]1N P44820 [0,0,0,1,0,0|1,0,1]=3 233 B8R1.5 C[C@@H]1CCCC[C@H]1N P45791 [0,0,0,1,0,0|1,0,1]=3 234 B8R1.5 C[C@@H]1CCCN[C@@H]1C P45337 [0,0,0,1,0,0|2,0,1]=4 235 B8R1.5 C[C@@H]1CCCN[C@@H]1C Q61336 [0,0,0,1,0,0|2,0,1]=4 236 B8R1.5 C[C@@H]1CCNC[C@@H]1O G-6540 [0,0,0,1,0,0|1,0,2]=4 237 B8R1.5 C[C@@H]1CCNC[C@@H]1O Q56504 [0,0,0,1,0,0|1,0,2]=4 238 B8R1.5 C[C@@H]1CCNC[C@H]1O Q56503 [0,0,0,1,0,0|1,0,2]=4 239 B8R1.5 C[C@@H]1CNCCN1C G-7636 [0,0,0,1,0,0|3,0,0]=4 240 B8R1.5 C[C@@H]1CNCCN1C L21507 [0,0,0,1,0,0|3,0,0]=4 241 B8R1.5 C[C@@H]1CNCC[C@@H]1F Q53340 [0,0,0,1,0,0|2,0,1]=4 242 B8R1.5 C[C@@H]1CNCC[C@H]1F Q53341 [0,0,0,1,0,0|2,0,1]=4 243 B8R1.5 C[C@@H]1CNCC[C@H]1O L21732 [0,0,0,1,0,0|1,0,2]=4 244 B8R1.5 C[C@@H]1CNCC[C@H]1O Q65201 [0,0,0,1,0,0|1,0,2]=4 245 B8R1.5 C[C@@H]1COCC[C@@H]1N Q52400 [0,0,0,1,0,0|2,0,1]=4 246 B8R1.5 C[C@@H]1COCC[C@H]1N O33010 [0,0,0,1,0,0|2,0,1]=4 247 B8R1.5 C[C@@H]1COCC[C@H]1N Q56430 [0,0,0,1,0,0|2,0,1]=4 248 B8R1.5 C[C@@H]1NCCC[C@@H]1O Q61250 [0,0,0,1,0,0|1,0,2]=4 249 B8R1.5 C[C@@H]1NCCC[C@H]1O Q61249 [0,0,0,1,0,0|1,0,2]=4 250 B8R1.5 C[C@@H]1NCCNC1=O O34331 [0,0,0,1,0,0|2,0,0]=3 251 B8R1.5 C[C@H]1CCCC[C@@H]1N P45803 [0,0,0,1,0,0|1,0,1]=3 252 B8R1.5 C[C@H]1CCCC[C@@H]1N P49914 [0,0,0,1,0,0|1,0,1]=3 253 B8R1.5 C[C@H]1CCCC[C@H]1N O34572 [0,0,0,1,0,0|1,0,1]=3 254 B8R1.5 C[C@H]1CCCC[C@H]1N P45166 [0,0,0,1,0,0|1,0,1]=3 255 B8R1.5 C[C@H]1CCNC[C@@H]1O G-6539 [0,0,0,1,0,0|1,0,2]=4 256 B8R1.5 C[C@H]1CNCCN1C G-7100 [0,0,0,1,0,0|3,0,0]=4 257 B8R1.5 C[C@H]1CNCCN1C L14176 [0,0,0,1,0,0|3,0,0]=4 258 B8R1.5 C[C@H]1CNCC[C@@H]1O Q65202 [0,0,0,1,0,0|1,0,2]=4 259 B8R1.5 C[C@H]1COCC[C@@H]1N G-7933 [0,0,0,1,0,0|2,0,1]=4 260 B8R1.5 C[C@H]1COCC[C@H]1N G-7268 [0,0,0,1,0,0|2,0,1]=4 261 B8R1.5 C[C@H]1COCC[C@H]1N Q52399 [0,0,0,1,0,0|2,0,1]=4 262 B8R1.5 C[C@H]1NCCC[C@@H]1O Q61135 [0,0,0,1,0,0|1,0,2]=4 263 B8R1.5 C[C@H]1NCCC[C@@H]1O Q61248 [0,0,0,1,0,0|1,0,2]=4 264 B8R1.5 C[C@H]1NCCC[C@H]1O Q61134 [0,0,0,1,0,0|1,0,2]=4 265 B8R1.5 C[C@H]1NCCC[C@H]1O Q61251 [0,0,0,1,0,0|1,0,2]=4 266 B8R1.5 C[C@H]1NCCNC1=O O34330 [0,0,0,1,0,0|2,0,0]=3 267 B8R1.5 NC1CCCCC1=O P45934 [0,0,0,1,0,0|1,0,0]=2 268 B8R1.5 NC1CCCCC1F P50555 [0,0,0,1,0,0|2,0,1]=4 269 B8R1.5 NN1CCCCC1=O B-1138 [0,0,0,1,0,0|2,0,0]=3 270 B8R1.5 N[C@@H]1CCCC[C@@H]1F P48909 [0,0,0,1,0,0|2,0,1]=4 271 B8R1.5 N[C@@H]1CCCC[C@@H]1O P46454 [0,0,0,1,0,0|1,0,2]=4 272 B8R1.5 N[C@@H]1CCCC[C@@H]1O P49846 [0,0,0,1,0,0|1,0,2]=4 273 B8R1.5 N[C@@H]1CCCC[C@H]1F P46966 [0,0,0,1,0,0|2,0,1]=4 274 B8R1.5 N[C@@H]1CCCC[C@H]1F P49016 [0,0,0,1,0,0|2,0,1]=4 275 B8R1.5 N[C@@H]1CCCC[C@H]1N M15638 [0,0,0,1,0,0|2,0,1]=4 276 B8R1.5 N[C@@H]1CCCC[C@H]1O P48754 [0,0,0,1,0,0|1,0,2]=4 277 B8R1.5 N[C@@H]1CCCNC1=O O34375 [0,0,0,1,0,0|2,0,0]=3 278 B8R1.5 N[C@H]1CCCC[C@@H]1F P49406 [0,0,0,1,0,0|2,0,1]=4 279 B8R1.5 N[C@H]1CCCC[C@@H]1O P44501 [0,0,0,1,0,0|1,0,2]=4 280 B8R1.5 N[C@H]1CCCC[C@H]1O P45876 [0,0,0,1,0,0|1,0,2]=4 281 B8R1.5 N[C@H]1CCCC[C@H]1O P46705 [0,0,0,1,0,0|1,0,2]=4 282 B8R1.5 N[C@H]1CCCNC1=O O34462 [0,0,0,1,0,0|2,0,0]=3 283 B8R1.5 O=C1CCCCC1Br L21639 [0,0,0,1,0,0|1,0,0]=2 284 B8R1.5 O=C1CCCCC1F P45307 [0,0,0,1,0,0|1,0,0]=2 285 B8R1.5 O=C1CCCNC1=O S72799 [0,0,0,1,0,0|2,0,1]=4 286 B8R1.5 O=C1CCNCC1Br Q52493 [0,0,0,1,0,0|2,0,0]=3 287 B8R1.5 O=C1CCNCC1F G-7340 [0,0,0,1,0,0|2,0,0]=3 288 B8R1.5 O=C1CCNCC1F Q56501 [0,0,0,1,0,0|2,0,0]=3 289 B8R1.5 O=C1CCOCC1Br C-3416 [0,0,0,1,0,0|2,0,0]=3 290 B8R1.5 O=C1CCOCC1F G-7272 [0,0,0,1,0,0|2,0,0]=3 291 B8R1.5 O=C1CCOC[C@H]1F Q52309 [0,0,0,1,0,0|2,0,0]=3 292 B8R1.5 O=C1COCCC1Br Q54651 [0,0,0,1,0,0|2,0,0]=3 293 B8R1.5 O=C1NCCCC1Br L18696 [0,0,0,1,0,0|2,0,0]=3 294 B8R1.5 O=C1NCCC[C@@H]1O P36280 [0,0,0,1,0,0|2,0,0]=3 295 B8R1.5 O=C1NCCC[C@H]1O P39619 [0,0,0,1,0,0|2,0,0]=3 296 B8R1.5 O=C1OCCCC1Br L20669 [0,0,0,1,0,0|2,0,0]=3 297 B8R1.5 OC1CCCCC1Br Q59575 [0,0,0,1,0,0|1,0,2]=4 298 B8R1.10 CCNCC1CCC1 P45276 [0,0,0,1,0,0|2,0,1]=4 299 B8R1.10 CCNCC1CCC1 P45868 [0,0,0,1,0,0|2,0,1]=4 300 B8R1.10 CNCCC1CCC1 P34701 [0,0,0,1,0,0|2,0,1]=4 301 B8R1.10 CNCCN1CCC1 P44758 [0,0,0,1,0,0|3,0,0]=4 302 B8R1.10 NCCCC1CCC1 P35867 [0,0,0,1,0,0|2,0,1]=4 303 B8R1.10 NCCCN1CCC1 P45494 [0,0,0,1,0,0|3,0,0]=4 304 B8R1.10 OCCCN1CCC1 P44834 [0,0,0,1,0,0|3,0,0]=4 305 B8R1.13 CNCC1CCC1F P47231 [0,0,0,1,0,0|2,0,1]=4 306 B8R1.13 COCC1CCC1N P47021 [0,0,0,1,0,0|2,0,1]=4 307 B8R1.13 COCC1CCC1N P47931 [0,0,0,1,0,0|2,0,1]=4 308 B8R1.13 COC[C@H]1CC[C@@H]1N P46988 [0,0,0,1,0,0|2,0,1]=4 309 B8R1.13 COC[C@H]1CC[C@@H]1N P46994 [0,0,0,1,0,0|2,0,1]=4 310 B8R1.13 COC[C@H]1CC[C@H]1N P46962 [0,0,0,1,0,0|2,0,1]=4 311 B8R1.13 COC[C@H]1CC[C@H]1N P46995 [0,0,0,1,0,0|2,0,1]=4 312 B8R1.22 BrC1CCCCCC1 P39447 [0,0,0,1,0,0|1,0,1]=3 313 B8R1.22 FC1CCCNCC1 L18431 [0,0,0,1,0,0|2,0,1]=4 314 B8R1.22 O=C1CCCNCC1 A-576 [0,0,0,1,0,0|1,0,0]=2 315 B8R1.22 O=C1CCNCCN1 Q52595 [0,0,0,1,0,0|2,0,0]=3 316 B8R1.22 O=C1CNCCCN1 O34379 [0,0,0,1,0,0|2,0,0]=3 317 B8R1.22 O=C1CNCCNC1 P46870 [0,0,0,1,0,0|2,0,0]=3 318 B8R1.38 C=CC(=O)N1CCC1 P44698 [0,0,0,1,0,0|1,0,2]=4 319 B8R1.38 CCC(=O)C1CCC1 P45339 [0,0,0,1,0,0|0,0,0]=1 320 B8R1.38 CCC(=O)C1COC1 Q56142 [0,0,0,1,0,0|1,0,0]=2 321 B8R1.38 CCC(F)C1CNC1 P47119 [0,0,0,1,0,0|2,0,1]=4 322 B8R1.38 CCC(O)C1CCC1 P48473 [0,0,0,1,0,0|0,0,2]=3 323 B8R1.38 CCC(O)C1COC1 Q56141 [0,0,0,1,0,0|1,0,2]=4 324 B8R1.38 CCN(C)C1CNC1 P48706 [0,0,0,1,0,0|3,0,0]=4 325 B8R1.38 CCN(C)C1CNC1 P50281 [0,0,0,1,0,0|3,0,0]=4 326 B8R1.38 CNC(=O)C1CCC1 P49094 [0,0,0,1,0,0|1,0,0]=2 327 B8R1.38 CNC(=O)C1CNC1 P45048 [0,0,0,1,0,0|2,0,0]=3 328 B8R1.38 CNC(=O)C1CNC1 P45049 [0,0,0,1,0,0|2,0,0]=3 329 B8R1.38 CNC(C)C1CCC1 P48247 [0,0,0,1,0,0|2,0,1]=4 330 B8R1.38 COC(=O)C1C=CC1 P47818 [0,0,0,1,0,0|1,0,2]=4 331 B8R1.38 COC(=O)C1CCC1 P45206 [0,0,0,1,0,0|1,0,0]=2 332 B8R1.38 COC(=O)C1CCN1 F-4237 [0,0,0,1,0,0|2,0,0]=3 333 B8R1.38 COC(=O)C1CNC1 A-420 [0,0,0,1,0,0|2,0,0]=3 334 B8R1.38 COC(=O)C1CNC1 F-4426 [0,0,0,1,0,0|2,0,0]=3 335 B8R1.38 COC(=O)C1COC1 L13768 [0,0,0,1,0,0|2,0,0]=3 336 B8R1.38 COC(=O)[C@@H]1CCN1 G-7134 [0,0,0,1,0,0|2,0,0]=3 337 B8R1.38 COC(=O)[C@H]1CCN1 G-7965 [0,0,0,1,0,0|2,0,0]=3 338 B8R1.38 NC(CO)C1CCC1 P41858 [0,0,0,1,0,0|2,0,1]=4 339 B8R1.38 NCC(=O)C1CCC1 L19863 [0,0,0,1,0,0|1,0,0]=2 340 B8R1.38 NCC(=O)N1CCC1 P42497 [0,0,0,1,0,0|2,0,0]=3 341 B8R1.38 NCC(N)C1CCC1 P47103 [0,0,0,1,0,0|2,0,1]=4 342 B8R1.38 NCC(N)C1CCC1 P48948 [0,0,0,1,0,0|2,0,1]=4 343 B8R1.38 NCC(O)C1CCC1 P45275 [0,0,0,1,0,0|1,0,2]=4 344 B8R1.38 NCC(O)C1CCC1 P46691 [0,0,0,1,0,0|1,0,2]=4 345 B8R1.38 NNC(=O)C1CCC1 P44614 [0,0,0,1,0,0|2,0,0]=3 346 B8R1.38 N[C@@H](CO)C1CCC1 P42021 [0,0,0,1,0,0|2,0,1]=4 347 B8R1.38 N[C@H](CO)C1CCC1 P42020 [0,0,0,1,0,0|2,0,1]=4 348 B8R1.38 O=C(CBr)C1CCC1 P44370 [0,0,0,1,0,0|1,0,0]=2 349 B8R1.38 O=C(CBr)N1CCC1 P44519 [0,0,0,1,0,0|2,0,0]=3 350 B8R1.38 O=C(CCl)C1CCC1 P45495 [0,0,0,1,0,0|1,0,0]=2 351 B8R1.38 O=C(CCl)N1CCC1 P34713 [0,0,0,1,0,0|2,0,0]=3 352 B8R1.38 O=C(CO)C1CCC1 P45459 [0,0,0,1,0,0|1,0,0]=2 353 B8R1.38 O=C(NO)C1CCC1 P45195 [0,0,0,1,0,0|2,0,0]=3 354 B8R1.38 OCC(O)C1CCC1 P44874 [0,0,0,1,0,0|1,0,2]=4 355 B8R1.40 COC(=O)C=C1CC1 H-8420 [0,0,0,1,0,0|1,0,2]=4 356 B8R1.40 COC(=O)CC1CC1 G-7131 [0,0,0,1,0,0|1,0,0]=2 357 B8R1.40 NCC(=O)NC1CC1 P36714 [0,0,0,1,0,0|2,0,0]=3 358 B8R1.40 N[C@@H](CO)CC1CC1 P42901 [0,0,0,1,0,0|2,0,1]=4 359 B8R1.40 N[C@H](CO)CC1CC1 P42900 [0,0,0,1,0,0|2,0,1]=4 360 B8R1.47 CCN1CC(CN)C1 P44000 [0,0,0,1,0,0|3,0,0]=4 361 B8R1.47 CCN1CC(CO)C1 P47028 [0,0,0,1,0,0|3,0,0]=4 362 B8R1.50 CC1C(=O)CCN1C Q52697 [0,0,0,1,0,0|1,0,0]=2 363 B8R1.50 CN1CCC(=O)C1=O Q59432 [0,0,0,1,0,0|2,0,1]=4 364 B8R1.50 C[C@@H]1CC[C@@H](O)[C@H]1N Q53610 [0,0,0,1,0,0|1,0,2]=4 365 B8R1.50 C[C@H]1CC[C@H](O)[C@@H]1N Q53609 [0,0,0,1,0,0|1,0,2]=4 366 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O Q53540 [0,0,0,1,0,0|3,0,0]=4 367 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O Q53541 [0,0,0,1,0,0|3,0,0]=4 368 B8R1.52 CC1(CN)CCCC1 Q59146 [0,0,0,1,0,0|2,0,1]=4 369 B8R1.52 CC1(CO)CCCC1 P38391 [0,0,0,1,0,0|2,0,1]=4 370 B8R1.52 CCC1(C)CCNC1 Q61657 [0,0,0,1,0,0|2,0,1]=4 371 B8R1.52 CCC1(F)CCNC1 Q61801 [0,0,0,1,0,0|2,0,1]=4 372 B8R1.52 FC1(CBr)CCCC1 Q61871 [0,0,0,1,0,0|2,0,1]=4 373 B8R1.52 NC1(CO)CCCC1 P42933 [0,0,0,1,0,0|2,0,1]=4 374 B8R1.52 NCC1(F)CCCC1 O33113 [0,0,0,1,0,0|2,0,1]=4 375 B8R1.52 NCC1(O)CCCC1 O33303 [0,0,0,1,0,0|1,0,2]=4 376 B8R1.52 NCC1(O)CCCC1 Q52143 [0,0,0,1,0,0|1,0,2]=4 377 B8R1.52 OCC1(F)CCCC1 Q57007 [0,0,0,1,0,0|2,0,1]=4 378 B5R0.1 CCC[C@H](C)N I-9318 [2,0,0,0,0,0|1,0,1]=4 379 B5R0.1 O=C(O)CCF A-698 [2,0,0,0,0,0|2,0,0]=4 380 B5R0.2 CCNCCCl L21040 [2,0,0,0,0,0|2,0,0]=4 381 B5R0.2 CNCCSC M23087 [2,0,0,0,0,0|2,0,0]=4 382 B5R0.2 CSCCCN P39434 [2,0,0,0,0,0|2,0,0]=4 383 B5R0.2 NCCCCS L19142 [2,0,0,0,0,0|2,0,0]=4 384 B5R0.3 CNC(=O)CBr P38653 [2,0,0,0,0,0|2,0,0]=4 385 B5R0.3 CNC(=O)CN P37877 [2,0,0,0,0,0|2,0,0]=4 386 B5R0.3 CNC(=O)CO P37539 [2,0,0,0,0,0|2,0,0]=4 387 B7R0.2 C=CC(=O)CC(C)C L19279 [1,1,0,0,0,0|0,0,2]=4 388 B7R0.2 CC(C)NC(=O)CBr P36229 [1,1,0,0,0,0|2,0,0]=4 389 B7R0.2 CC(C)NC(=O)CN P36647 [1,1,0,0,0,0|2,0,0]=4 390 B7R0.2 CC(C)NC(=O)CN P37073 [1,1,0,0,0,0|2,0,0]=4 391 B7R0.2 CCC(=O)CC(=O)O P43007 [1,1,0,0,0,0|1,0,1]=4 392 B7R0.2 CCC(=O)CC(C)=O O31794 [1,1,0,0,0,0|0,0,1]=3 393 B7R0.2 COC(=O)CC(C)N P41489 [1,1,0,0,0,0|1,0,0]=3 394 B7R0.2 COC(=O)CN(C)C P36457 [1,1,0,0,0,0|2,0,0]=4 395 B7R0.2 COC(=O)C[C@@H](C)N Q68958 [1,1,0,0,0,0|1,0,0]=3 396 B7R0.5 CCCC(C)C(C)N L19280 [1,1,0,0,0,0|1,0,1]=4 397 B7R0.5 CN(C)C(=O)CCCl P40567 [1,1,0,0,0,0|2,0,0]=4 398 B7R0.5 CN(C)C(=O)CCN O33598 [1,1,0,0,0,0|2,0,0]=4 399 B7R0.5 CNCC(=O)N(C)C P40286 [1,1,0,0,0,0|2,0,0]=4 400 B7R0.7 CCCN(C)CCO Q66069 [1,1,0,0,0,0|2,0,0]=4 401 B7R0.7 CCNC(=O)CC#N P41076 [1,1,0,0,0,0|1,0,1]=4 402 B7R0.7 CCNC(=O)CCN P36830 [1,1,0,0,0,0|1,0,0]=3 403 B7R0.7 CCNC(=O)CNC P35209 [1,1,0,0,0,0|1,0,0]=3 404 B7R0.7 CCNC(=O)CNC P39556 [1,1,0,0,0,0|1,0,0]=3 405 B7R0.7 CCOC(=O)CCI P36879 [1,1,0,0,0,0|1,0,0]=3 406 B7R0.7 CCOC(=O)NCO Q69358 [1,1,0,0,0,0|2,0,0]=4 407 B7R0.10 CCC(=O)N(C)OC P42839 [1,1,0,0,0,0|2,0,0]=4 408 B7R0.10 CCN(C)C(=O)CN P36486 [1,1,0,0,0,0|2,0,0]=4 409 B7R0.10 CN[C@@H](C)C(=O)OC P40007 [1,1,0,0,0,0|2,0,0]=4 410 B7R0.10 COC(=O)C(C)CN P35475 [1,1,0,0,0,0|2,0,0]=4 411 B7R0.10 COC(=O)[C@@H](N)CN P41137 [1,1,0,0,0,0|2,0,0]=4 412 B7R0.4 CC(=O)NCCCN P38199 [1,1,0,0,0,0|1,0,0]=3 413 B7R0.4 CNCCNC(C)=O P41559 [1,1,0,0,0,0|1,0,0]=3 414 B7R0.4 COCCCC(=O)O P39031 [1,1,0,0,0,0|1,0,0]=3 415 B7R0.4 NCCNCC(=O)O O28634 [1,1,0,0,0,0|2,0,0]=4 416 B7R0.4 NCCOCC(=O)O P35961 [1,1,0,0,0,0|2,0,0]=4 417 B7R0.6 CC(=O)OCC(C)O P36972 [1,1,0,0,0,0|1,0,0]=3 418 B7R0.6 CC(C)OCC(=O)O P38749 [1,1,0,0,0,0|2,0,0]=4 419 B7R0.6 O=C(O)CCC(F)F S72753 [1,1,0,0,0,0|2,0,0]=4 420 B7R0.8 CCCCS(=O)(=O)O O30093 [1,1,0,0,0,0|2,0,0]=4 421 B7R0.8 CNCCS(C)(=O)=O P39970 [1,1,0,0,0,0|2,0,0]=4 422 B7R0.1 CCCCNCC#N P38905 [1,1,0,0,0,0|1,0,1]=4 423 B7R0.1 CCCCOCCN P36925 [1,1,0,0,0,0|1,0,0]=3 424 B7R0.1 COCCOCCN P38878 [1,1,0,0,0,0|2,0,0]=4 425 B7R0.1 NCCCOCCO P34738 [1,1,0,0,0,0|2,0,0]=4 426 B9R0.5 CCCCCC(O)CCO O28430 [0,2,0,0,0,0|0,0,2]=4 427 B9R0.5 CCCCCN(C)CCO Q66064 [0,2,0,0,0,0|2,0,0]=4 428 B9R0.5 CCCCNC(=O)CC#N P38337 [0,2,0,0,0,0|0,0,1]=3 429 B9R0.5 COCCNC(=O)CC#N P41073 [0,2,0,0,0,0|1,0,1]=4 430 B9R0.8 CCCCC(N)C(=O)OC M23165 [0,2,0,0,0,0|1,0,0]=3 431 B9R0.18 CCCCC(N)CCCC M15282 [0,2,0,0,0,0|1,0,1]=4 432 B9R0.18 O=C(NCCCl)NCCCl P43328 [0,2,0,0,0,0|2,0,0]=4 433 B9R0.34 CCOC(=O)C[C@@H](O)CCl P35219 [0,2,0,0,0,0|1,0,0]=3 434 B9R0.34 CCOC(=O)C[C@H](O)CCl P35666 [0,2,0,0,0,0|1,0,0]=3 435 B9R0.34 COCC(C)NC(=O)CCl L18642 [0,2,0,0,0,0|2,0,0]=4 436 B9R0.35 C#CCC(N)C(=O)OCC P40977 [0,2,0,0,0,0|0,0,2]=4 437 B9R0.23 COC(=O)[C@H](N)CC(C)C P37232 [0,2,0,0,0,0|1,0,0]=3 438 B9R0.23 COC(=O)[C@H](O)CC(C)C P42599 [0,2,0,0,0,0|1,0,0]=3 439 B9R0.27 CCC(=O)C(C)C(=O)OC P40525 [0,2,0,0,0,0|1,0,1]=4 440 B9R0.60 COC(=O)C(C)(C)CCBr H-8049 [0,2,0,0,0,0|2,0,0]=4 441 B9R0.46 CCOCCOC(=O)CCl O30319 [0,2,0,0,0,0|1,0,0]=3 442 B9R0.46 COC(=O)CCCN=[N+]=[N-] P35568 [0,2,0,0,0,0|2,0,0]=4 443 B9R0.50 CCN(CC)CCCCN P39133 [0,2,0,0,0,0|2,0,0]=4 444 B9R0.3 CC(C)(C)C(=O)SCCO P41006 [0,2,0,0,0,0|2,0,0]=4 445 B9R0.42 COC(=O)C[C@H](N)C(C)C Q68995 [0,2,0,0,0,0|1,0,0]=3 446 B9R0.21 COC(=O)CCC(F)(F)F P39478 [0,2,0,0,0,0|2,0,0]=4 447 B7R1.1 BrCC1=CCCC1 G-5335 [1,0,0,1,0,0|2,0,0]=4 448 B7R1.2 CC1CCC(N)C1 Q56970 [1,0,0,1,0,0|1,0,1]=4 449 B7R1.2 CC1CNC(=O)C1 L13710 [1,0,0,1,0,0|1,0,0]=3 450 B7R1.2 CC1CNC(=O)O1 P51279 [1,0,0,1,0,0|2,0,0]=4 451 B7R1.2 C[C@@H]1CNC(=O)C1 L22301 [1,0,0,1,0,0|1,0,0]=3 452 B7R1.2 C[C@@H]1CNC(=O)O1 P42625 [1,0,0,1,0,0|2,0,0]=4 453 B7R1.2 C[C@H]1CNC(=O)C1 L18264 [1,0,0,1,0,0|1,0,0]=3 454 B7R1.2 NC1CNC(=O)C1 G-6478 [1,0,0,1,0,0|2,0,0]=4 455 B7R1.2 NC1CNC(=O)C1 L13560 [1,0,0,1,0,0|2,0,0]=4 456 B7R1.2 N[C@@H]1CNC(=O)C1 L13184 [1,0,0,1,0,0|2,0,0]=4 457 B7R1.2 N[C@@H]1CNC(=O)C1 P44245 [1,0,0,1,0,0|2,0,0]=4 458 B7R1.2 N[C@H]1CNC(=O)C1 L13183 [1,0,0,1,0,0|2,0,0]=4 459 B7R1.2 O=C1CC(O)CN1 P39299 [1,0,0,1,0,0|2,0,0]=4 460 B7R1.2 O=C1CCC(=O)C1 I-9301 [1,0,0,1,0,0|1,0,1]=4 461 B7R1.2 O=C1CCC(Br)C1 Q56972 [1,0,0,1,0,0|1,0,0]=3 462 B7R1.2 O=C1CCC(F)C1 Q55724 [1,0,0,1,0,0|1,0,0]=3 463 B7R1.2 O=C1CCC(O)C1 H-8145 [1,0,0,1,0,0|1,0,0]=3 464 B7R1.2 O=C1C[C@@H](O)CN1 M22799 [1,0,0,1,0,0|2,0,0]=4 465 B7R1.2 O=C1C[C@@H](S)CN1 I-9138 [1,0,0,1,0,0|2,0,0]=4 466 B7R1.3 BrC1=CCCCC1 N24288 [1,0,0,1,0,0|1,0,1]=4 467 B7R1.3 C=C1CCCNC1 Q59836 [1,0,0,1,0,0|2,0,0]=4 468 B7R1.3 C=C1CCCOC1 Q54979 [1,0,0,1,0,0|2,0,0]=4 469 B7R1.3 C=C1CCNCC1 H-8338 [1,0,0,1,0,0|2,0,0]=4 470 B7R1.3 C=C1CCNCC1 Q55164 [1,0,0,1,0,0|2,0,0]=4 471 B7R1.3 C=C1CCOCC1 L13714 [1,0,0,1,0,0|2,0,0]=4 472 B7R1.3 O=C1CC=CCC1 Q53604 [1,0,0,1,0,0|0,0,2]=4 473 B7R1.3 O=C1CCCNC1 A-184 [1,0,0,1,0,0|1,0,0]=3 474 B7R1.3 O=C1CCCOC1 G-6070 [1,0,0,1,0,0|1,0,0]=3 475 B7R1.3 O=C1CCCSC1 G-5937 [1,0,0,1,0,0|1,0,0]=3 476 B7R1.3 O=C1CCOCC1 B-1770 [1,0,0,1,0,0|1,0,0]=3 477 B7R1.3 O=C1CCSCC1 C-2949 [1,0,0,1,0,0|1,0,0]=3 478 B7R1.3 O=C1CNCCO1 O28295 [1,0,0,1,0,0|2,0,0]=4 479 B7R1.3 O=C1COCCN1 B-1038 [1,0,0,1,0,0|2,0,0]=4 480 B7R1.3 O=C1OCCCO1 P43743 [1,0,0,1,0,0|2,0,0]=4 481 B7R1.4 CC1CCNC1=O O30375 [1,0,0,1,0,0|1,0,0]=3 482 B7R1.4 CN1CCCC1=N Q59266 [1,0,0,1,0,0|2,0,0]=4 483 B7R1.4 C[C@@H]1CCC[C@@H]1N Q53279 [1,0,0,1,0,0|1,0,1]=4 484 B7R1.4 C[C@@H]1CCC[C@@H]1N Q53280 [1,0,0,1,0,0|1,0,1]=4 485 B7R1.4 C[C@@H]1CCNC1=O Q61716 [1,0,0,1,0,0|1,0,0]=3 486 B7R1.4 C[C@H]1CCC[C@@H]1N Q53277 [1,0,0,1,0,0|1,0,1]=4 487 B7R1.4 C[C@H]1CCC[C@@H]1N Q53278 [1,0,0,1,0,0|1,0,1]=4 488 B7R1.4 C[C@H]1CCNC1=O Q61658 [1,0,0,1,0,0|1,0,0]=3 489 B7R1.4 NC1CCNC1=O F-4440 [1,0,0,1,0,0|2,0,0]=4 490 B7R1.4 NN1CCCC1=O P51102 [1,0,0,1,0,0|2,0,0]=4 491 B7R1.4 N[C@@H]1CCNC1=O F-4458 [1,0,0,1,0,0|2,0,0]=4 492 B7R1.4 N[C@H]1CCNC1=O F-4459 [1,0,0,1,0,0|2,0,0]=4 493 B7R1.4 N[C@H]1CCNC1=O L14236 [1,0,0,1,0,0|2,0,0]=4 494 B7R1.4 O=C1CCCC1=O L19145 [1,0,0,1,0,0|1,0,1]=4 495 B7R1.4 O=C1CCCC1O Q61720 [1,0,0,1,0,0|1,0,0]=3 496 B7R1.4 O=C1NCCC1Br O31241 [1,0,0,1,0,0|2,0,0]=4 497 B7R1.4 O=C1NCCC1F Q62170 [1,0,0,1,0,0|2,0,0]=4 498 B7R1.4 O=C1NCCC1O D-2532 [1,0,0,1,0,0|2,0,0]=4 499 B7R1.4 O=C1NCC[C@@H]1F Q63592 [1,0,0,1,0,0|2,0,0]=4 500 B7R1.4 O=C1NCC[C@@H]1O F-4184 [1,0,0,1,0,0|2,0,0]=4 501 B7R1.4 O=C1NCC[C@H]1F Q63593 [1,0,0,1,0,0|2,0,0]=4 502 B7R1.4 O=C1NCC[C@H]1O O30124 [1,0,0,1,0,0|2,0,0]=4 503 B7R1.8 COC1CCC1=O P45632 [1,0,0,1,0,0|1,0,0]=3 504 B7R1.8 NCC1CNC1=O P46897 [1,0,0,1,0,0|2,0,0]=4 505 B7R1.8 O=C1CCC1CO L18510 [1,0,0,1,0,0|1,0,0]=3 506 B7R1.15 C[C@@H]1NC(=O)[C@H]1N 10677 [1,0,0,1,0,0|2,0,0]=4 507 B7R1.15 C[C@@H]1NC(=O)[C@H]1N 10678 [1,0,0,1,0,0|2,0,0]=4 508 B7R1.22 CCC(=O)C1CC1 I-9941 [1,0,0,1,0,0|0,0,0]=2 509 B7R1.22 CCC(N)C1CC1 L14734 [1,0,0,1,0,0|1,0,1]=4 510 B7R1.22 CCC(O)C1CC1 L14172 [1,0,0,1,0,0|0,0,2]=4 511 B7R1.22 NNC(=O)C1CC1 G-5359 [1,0,0,1,0,0|2,0,0]=4 512 B7R1.25 CCC1(N)CCC1 P45271 [1,0,0,1,0,0|1,0,1]=4 513 B7R1.25 CCC1(N)CCC1 P45837 [1,0,0,1,0,0|1,0,1]=4 514 B7R1.12 CC1CC1C(=O)Cl O31612 [1,0,0,1,0,0|1,0,0]=3 515 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P44059 [1,0,0,1,0,0|1,0,0]=3 516 B7R1.12 C[C@@H]1C[C@H]1C(=O)O L22375 [1,0,0,1,0,0|1,0,0]=3 517 B7R1.12 C[C@H]1C[C@H]1C(=O)O O33127 [1,0,0,1,0,0|1,0,0]=3 518 B7R1.12 O=C(O)C1CC1F Q52394 [1,0,0,1,0,0|2,0,0]=4 519 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F K10809 [1,0,0,1,0,0|2,0,0]=4 520 B7R1.12 O=C(O)[C@@H]1C[C@H]1F O33126 [1,0,0,1,0,0|2,0,0]=4 521 B7R1.12 O=C(O)[C@@H]1C[C@H]1F O33327 [1,0,0,1,0,0|2,0,0]=4 522 B7R1.12 O=C(O)[C@H]1C[C@@H]1F O33229 [1,0,0,1,0,0|2,0,0]=4 523 B7R1.12 O=C(O)[C@H]1C[C@H]1F K10802 [1,0,0,1,0,0|2,0,0]=4 524 B7R1.14 CC1(N)CCCC1 Q57352 [1,0,0,1,0,0|1,0,1]=4 525 B7R1.18 CC(=O)C1CCC1 Q54751 [1,0,0,1,0,0|0,0,0]=2 526 B7R1.18 CC(=O)C1CNC1 P44065 [1,0,0,1,0,0|1,0,0]=3 527 B7R1.18 CC(=O)C1CNC1 P48871 [1,0,0,1,0,0|1,0,0]=3 528 B7R1.18 CC(=O)C1CNC1 P48872 [1,0,0,1,0,0|1,0,0]=3 529 B7R1.18 CC(=O)C1COC1 Q56096 [1,0,0,1,0,0|1,0,0]=3 530 B7R1.18 CC(=O)N1CCC1 P45596 [1,0,0,1,0,0|1,0,0]=3 531 B7R1.18 CC(N)C1CCC1 L22474 [1,0,0,1,0,0|1,0,1]=4 532 B7R1.18 CC(N)C1CCC1 P45412 [1,0,0,1,0,0|1,0,1]=4 533 B7R1.18 CC(O)C1CCC1 P45236 [1,0,0,1,0,0|0,0,2]=4 534 B7R1.18 CS(=O)C1CNC1 P40256 [1,0,0,1,0,0|2,0,0]=4 535 B7R1.18 C[C@@H](N)C1CCC1 P45187 [1,0,0,1,0,0|1,0,1]=4 536 B7R1.18 C[C@@H](N)C1CCC1 P45332 [1,0,0,1,0,0|1,0,1]=4 537 B7R1.18 C[C@H](N)C1CCC1 P48628 [1,0,0,1,0,0|1,0,1]=4 538 B7R1.18 C[C@H](O)C1CCC1 P47847 [1,0,0,1,0,0|0,0,2]=4 539 B7R1.18 N=C(N)C1CCC1 G-7205 [1,0,0,1,0,0|2,0,0]=4 540 B7R1.18 NC(=O)C1CCC1 O34470 [1,0,0,1,0,0|1,0,0]=3 541 B7R1.18 NC(=O)C1CCN1 O28301 [1,0,0,1,0,0|2,0,0]=4 542 B7R1.18 NC(=O)C1CNC1 C-2241 [1,0,0,1,0,0|2,0,0]=4 543 B7R1.18 NC(=O)C1CNC1 L21539 [1,0,0,1,0,0|2,0,0]=4 544 B7R1.18 NC(=O)N1CCC1 P45464 [1,0,0,1,0,0|2,0,0]=4 545 B7R1.18 NC(=S)C1CCC1 P47843 [1,0,0,1,0,0|1,1,0]=4 546 B7R1.18 O=C(O)C1CCN1 B-1112 [1,0,0,1,0,0|2,0,0]=4 547 B7R1.18 O=C(O)C1CCO1 D-2702 [1,0,0,1,0,0|2,0,0]=4 548 B7R1.18 O=C(O)C1CNC1 A-422 [1,0,0,1,0,0|2,0,0]=4 549 B7R1.18 O=C(O)C1CNC1 P42961 [1,0,0,1,0,0|2,0,0]=4 550 B7R1.18 O=C(O)C1COC1 A-970 [1,0,0,1,0,0|2,0,0]=4 551 B7R1.18 O=C(O)C1CSC1 H-8019 [1,0,0,1,0,0|2,0,0]=4 552 B7R1.18 O=C(O)[C@@H]1CCN1 B-1110 [1,0,0,1,0,0|2,0,0]=4 553 B7R1.18 O=C(O)[C@@H]1CCN1 P46195 [1,0,0,1,0,0|2,0,0]=4 554 B7R1.18 O=C(O)[C@@H]1CCO1 Q62698 [1,0,0,1,0,0|2,0,0]=4 555 B7R1.18 O=C(O)[C@H]1CCN1 B-1109 [1,0,0,1,0,0|2,0,0]=4 556 B7R1.18 O=C(O)[C@H]1CCN1 P45364 [1,0,0,1,0,0|2,0,0]=4 557 B7R1.18 O=C(O)[C@H]1CCO1 Q62699 [1,0,0,1,0,0|2,0,0]=4 558 B7R1.20 CC(O)CC1CC1 O29763 [1,0,0,1,0,0|0,0,2]=4 559 B7R1.20 O=C(Cl)CC1CC1 Q54347 [1,0,0,1,0,0|1,0,0]=3 560 B7R1.20 O=C(O)CC1CC1 F-4292 [1,0,0,1,0,0|1,0,0]=3 561 B7R1.20 O=C(O)CC1CO1 P45743 [1,0,0,1,0,0|2,0,0]=4 562 B7R1.24 C1CNCCOC1 O28784 [1,0,0,1,0,0|2,0,0]=4 563 B9R1.2 C=CC1CCCC(=O)C1 P47289 [0,1,0,1,0,0|0,0,2]=4 564 B9R1.2 CCC1CC(=O)CCO1 10650 [0,1,0,1,0,0|0,0,0]=2 565 B9R1.2 CCC1CC(N)CCO1 Q57607 [0,1,0,1,0,0|0,0,2]=4 566 B9R1.2 CCC1CC(O)CCO1 Q57706 [0,1,0,1,0,0|0,0,2]=4 567 B9R1.2 CCN1CCCC(N)C1 P36640 [0,1,0,1,0,0|2,0,0]=4 568 B9R1.2 CCN1CCNC(=O)C1 L21411 [0,1,0,1,0,0|1,0,0]=3 569 B9R1.2 CCN1CCN[C@@H](C)C1 O34270 [0,1,0,1,0,0|2,0,0]=4 570 B9R1.2 CCN1CCN[C@H](C)C1 P51488 [0,1,0,1,0,0|2,0,0]=4 571 B9R1.2 COC1CCCC(=O)C1 P44206 [0,1,0,1,0,0|1,0,0]=3 572 B9R1.2 NCC1CCCC(=O)N1 Q65073 [0,1,0,1,0,0|2,0,0]=4 573 B9R1.2 NCC1CCNC(=O)C1 C-3610 [0,1,0,1,0,0|1,0,0]=3 574 B9R1.2 NCC1CCNC(=O)C1 Q51820 [0,1,0,1,0,0|1,0,0]=3 575 B9R1.2 O=C1CC(CO)CCN1 C-3400 [0,1,0,1,0,0|1,0,0]=3 576 B9R1.2 O=C1CCCC(CCl)N1 Q59897 [0,1,0,1,0,0|2,0,0]=4 577 B9R1.2 O=C1CCCC(CO)N1 10055 [0,1,0,1,0,0|2,0,0]=4 578 B9R1.2 O=C1CCC[C@H](CO)N1 Q65248 [0,1,0,1,0,0|2,0,0]=4 579 B9R1.2 O=C1CCOC(CO)C1 Q54642 [0,1,0,1,0,0|1,0,0]=3 580 B9R1.7 CC1CCN(CCBr)C1 Q59210 [0,1,0,1,0,0|2,0,0]=4 581 B9R1.7 CC1CCN(CCO)C1 Q59221 [0,1,0,1,0,0|2,0,0]=4 582 B9R1.7 CCNC1CCN(C)C1 G-7105 [0,1,0,1,0,0|2,0,0]=4 583 B9R1.7 CN1CCC(CCN)C1 G-5346 [0,1,0,1,0,0|2,0,0]=4 584 B9R1.7 CN1CCC(CCO)C1 G-5270 [0,1,0,1,0,0|2,0,0]=4 585 B9R1.7 CN1CC[C@@H](CCO)C1 Q54911 [0,1,0,1,0,0|2,0,0]=4 586 B9R1.7 CN1CC[C@H](CCO)C1 Q54912 [0,1,0,1,0,0|2,0,0]=4 587 B9R1.8 BrCCC1CCCCC1 P40749 [0,1,0,1,0,0|1,0,1]=4 588 B9R1.8 CCC[C@@H]1CCCCN1 Q54719 [0,1,0,1,0,0|1,0,1]=4 589 B9R1.8 CNCC1CCCCC1 P39298 [0,1,0,1,0,0|1,0,1]=4 590 B9R1.8 CNCC1CCCCC1 Q59474 [0,1,0,1,0,0|1,0,1]=4 591 B9R1.8 COCC1CCCCN1 O28609 [0,1,0,1,0,0|1,0,1]=4 592 B9R1.8 COCC1CCCCN1 Q60043 [0,1,0,1,0,0|1,0,1]=4 593 B9R1.8 NCCC1CCCCC1 P34723 [0,1,0,1,0,0|1,0,1]=4 594 B9R1.8 NCCC1CCCCO1 P38225 [0,1,0,1,0,0|0,0,2]=4 595 B9R1.8 OCCC1CCCCC1 P44676 [0,1,0,1,0,0|1,0,1]=4 596 B9R1.8 OCCC1CCCCO1 P38380 [0,1,0,1,0,0|0,0,2]=4 597 B9R1.8 OCC[C@@H]1CCCCN1 O33566 [0,1,0,1,0,0|1,0,1]=4 598 B9R1.8 OCC[C@@H]1CCCCO1 Q53045 [0,1,0,1,0,0|0,0,2]=4 599 B9R1.15 CC1CCCCC1NN L20777 [0,1,0,1,0,0|1,0,1]=4 600 B9R1.15 CCN1CCNCC1=O A-474 [0,1,0,1,0,0|1,0,0]=3 601 B9R1.15 CN1CCCCC1C=O Q60366 [0,1,0,1,0,0|1,0,1]=4 602 B9R1.15 CN1CCCCC1CN 10196 [0,1,0,1,0,0|2,0,0]=4 603 B9R1.15 CN1CCCC[C@@H]1CN Q61370 [0,1,0,1,0,0|2,0,0]=4 604 B9R1.15 CN1CCCC[C@H]1CN Q61369 [0,1,0,1,0,0|2,0,0]=4 605 B9R1.15 CNC1CCCCC1=O O32079 [0,1,0,1,0,0|0,0,0]=2 606 B9R1.15 CN[C@@H]1CCCC[C@@H]1C P45885 [0,1,0,1,0,0|1,0,1]=4 607 B9R1.15 COC1CCCCC1=O P44670 [0,1,0,1,0,0|0,0,0]=2 608 B9R1.15 COC1CCCCC1N P45618 [0,1,0,1,0,0|1,0,1]=4 609 B9R1.15 COC1COCCC1=O C-3417 [0,1,0,1,0,0|1,0,0]=3 610 B9R1.15 COC1OCCCC1=O L19674 [0,1,0,1,0,0|1,0,0]=3 611 B9R1.15 CO[C@@H]1CCCC[C@@H]1N P45281 [0,1,0,1,0,0|1,0,1]=4 612 B9R1.15 CO[C@@H]1CCCC[C@@H]1N P48339 [0,1,0,1,0,0|1,0,1]=4 613 B9R1.15 CO[C@@H]1CCCC[C@H]1N P45280 [0,1,0,1,0,0|1,0,1]=4 614 B9R1.15 CO[C@@H]1CCCC[C@H]1N P48092 [0,1,0,1,0,0|1,0,1]=4 615 B9R1.15 CO[C@@H]1COCCC1=O Q55743 [0,1,0,1,0,0|1,0,0]=3 616 B9R1.15 CO[C@H]1CCCC[C@@H]1N P47400 [0,1,0,1,0,0|1,0,1]=4 617 B9R1.15 CO[C@H]1CCCC[C@H]1N P45253 [0,1,0,1,0,0|1,0,1]=4 618 B9R1.15 CO[C@H]1COCCC1=O Q55744 [0,1,0,1,0,0|1,0,0]=3 619 B9R1.15 N#CC1CCCCC1=O P44647 [0,1,0,1,0,0|0,0,1]=3 620 B9R1.15 N#CC1CCNCC1=O Q65263 [0,1,0,1,0,0|1,0,1]=4 621 B9R1.15 N#CC1CNCCC1=O G-6732 [0,1,0,1,0,0|1,0,1]=4 622 B9R1.15 NC[C@@H]1CCCC[C@H]1O P45462 [0,1,0,1,0,0|0,0,2]=4 623 B9R1.15 NC[C@H]1CCCC[C@H]1N Q59475 [0,1,0,1,0,0|1,0,1]=4 624 B9R1.15 N[C@@H]1CCCC[C@H]1CO P44649 [0,1,0,1,0,0|1,0,1]=4 625 B9R1.15 N[C@@H]1CCCC[C@H]1CO P45460 [0,1,0,1,0,0|1,0,1]=4 626 B9R1.15 N[C@H]1CCCC[C@H]1CO P46191 [0,1,0,1,0,0|1,0,1]=4 627 B9R1.15 O=C1COCCC1CO Q64449 [0,1,0,1,0,0|1,0,0]=3 628 B9R1.15 O=CC1CCCCC1=O P49435 [0,1,0,1,0,0|0,0,1]=3 629 B9R1.22 CCC1CN(C)CC1N Q59350 [0,1,0,1,0,0|2,0,0]=4 630 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 L22312 [0,1,0,1,0,0|2,0,0]=4 631 B9R1.33 CCC[C@@H]1CNC[C@@H]1O Q62155 [0,1,0,1,0,0|0,0,2]=4 632 B9R1.33 CCC[C@@H]1CNC[C@H]1O Q62154 [0,1,0,1,0,0|0,0,2]=4 633 B9R1.33 COCC1CCCC1=O O31995 [0,1,0,1,0,0|1,0,0]=3 634 B9R1.33 NCCN1CCCC1=O P39375 [0,1,0,1,0,0|2,0,0]=4 635 B9R1.33 NCCN1CCOC1=O M22885 [0,1,0,1,0,0|2,0,0]=4 636 B9R1.33 O=C1CCCN1CCBr M23139 [0,1,0,1,0,0|2,0,0]=4 637 B9R1.33 O=C1OCCC1CCBr Q69615 [0,1,0,1,0,0|1,0,0]=3 638 B9R1.48 CC1CC(=O)NCCN1 G-6003 [0,1,0,1,0,0|2,0,0]=4 639 B9R1.48 NC1CCCNC(=O)C1 S72677 [0,1,0,1,0,0|1,0,0]=3 640 B9R1.48 O=C1CCCNC(=O)C1 M15285 [0,1,0,1,0,0|1,0,1]=4 641 B9R1.49 CN1CCCC(N)CC1 C-2203 [0,1,0,1,0,0|1,0,1]=4 642 B9R1.49 CN1CCNC(=O)CC1 O34314 [0,1,0,1,0,0|1,0,0]=3 643 B9R1.69 CC1CC(=O)CCC1O P44912 [0,1,0,1,0,0|1,0,0]=3 644 B9R1.69 CC1CCC(=O)C(C)C1 Q59598 [0,1,0,1,0,0|0,0,0]=2 645 B9R1.69 CC1CCC(=O)OC1=O Q61441 [0,1,0,1,0,0|1,0,1]=4 646 B9R1.69 CC1CN(C)CCC1=O Q65019 [0,1,0,1,0,0|1,0,0]=3 647 B9R1.69 CN1CC(N)CCC1=O C-3402 [0,1,0,1,0,0|1,0,0]=3 648 B9R1.69 CN1CCC(=O)CC1=O H-8214 [0,1,0,1,0,0|1,0,1]=4 649 B9R1.69 CN1CCC(N)CC1=O C-2257 [0,1,0,1,0,0|1,0,0]=3 650 B9R1.69 CN1C[C@@H](N)CCC1=O Q64391 [0,1,0,1,0,0|1,0,0]=3 651 B9R1.69 CN1C[C@H](N)CCC1=O Q64392 [0,1,0,1,0,0|1,0,0]=3 652 B9R1.69 C[C@@H]1CC(=O)CC[C@H]1O P49131 [0,1,0,1,0,0|1,0,0]=3 653 B9R1.69 C[C@@H]1CCC(=O)CN1C Q56726 [0,1,0,1,0,0|0,0,0]=2 654 B9R1.69 C[C@@H]1CC[C@@H](O)CN1C Q56746 [0,1,0,1,0,0|0,0,2]=4 655 B9R1.69 C[C@@H]1CN(C)C(=O)CN1 A-475 [0,1,0,1,0,0|2,0,0]=4 656 B9R1.69 C[C@@H]1CN(C)C(=O)CN1 P43921 [0,1,0,1,0,0|2,0,0]=4 657 B9R1.69 C[C@@H]1CN(C)CCC1=O Q65018 [0,1,0,1,0,0|1,0,0]=3 658 B9R1.69 C[C@@H]1CNC(=O)[C@@H](C)N1 P49014 [0,1,0,1,0,0|1,0,0]=3 659 B9R1.69 C[C@@H]1C[C@@H](N)CCN1C P50478 [0,1,0,1,0,0|2,0,0]=4 660 B9R1.69 C[C@@H]1C[C@@H](N)CCN1C Q63684 [0,1,0,1,0,0|2,0,0]=4 661 B9R1.69 C[C@@H]1C[C@H](N)CCN1C Q63683 [0,1,0,1,0,0|2,0,0]=4 662 B9R1.69 C[C@H]1CCC(=O)CN1C Q56727 [0,1,0,1,0,0|0,0,0]=2 663 B9R1.69 C[C@H]1CC[C@@H](N)CN1C Q56723 [0,1,0,1,0,0|1,0,1]=4 664 B9R1.69 C[C@H]1CC[C@H](N)CN1C Q56722 [0,1,0,1,0,0|1,0,1]=4 665 B9R1.69 C[C@H]1CC[C@H](O)CN1C Q56721 [0,1,0,1,0,0|0,0,2]=4 666 B9R1.69 C[C@H]1CN(C)C(=O)CN1 A-476 [0,1,0,1,0,0|2,0,0]=4 667 B9R1.69 C[C@H]1CN(C)C(=O)CN1 L13867 [0,1,0,1,0,0|2,0,0]=4 668 B9R1.69 C[C@H]1CN(C)CCC1=O Q65017 [0,1,0,1,0,0|1,0,0]=3 669 B9R1.69 C[C@H]1CNC(=O)[C@H](C)N1 P49725 [0,1,0,1,0,0|1,0,0]=3 670 B9R1.73 CCCC(=O)C1CCC1 P45625 [0,1,0,1,0,0|0,0,0]=2 671 B9R1.73 CCCC(N)C1CCC1 P48950 [0,1,0,1,0,0|1,0,1]=4 672 B9R1.73 CCNC(=O)C1CNC1 P48513 [0,1,0,1,0,0|1,0,0]=3 673 B9R1.73 CCNC(=O)C1CNC1 P48516 [0,1,0,1,0,0|1,0,0]=3 674 B9R1.73 CCOC(=O)C1CCN1 P40788 [0,1,0,1,0,0|1,0,0]=3 675 B9R1.73 CCOC(=O)C1CNC1 C-2881 [0,1,0,1,0,0|1,0,0]=3 676 B9R1.73 CCOC(=O)[C@@H]1CCN1 P34796 [0,1,0,1,0,0|1,0,0]=3 677 B9R1.73 N#CCC(=O)C1CCC1 C-3303 [0,1,0,1,0,0|0,0,1]=3 678 B9R1.73 N#CCC(=O)C1COC1 Q62938 [0,1,0,1,0,0|1,0,1]=4 679 B9R1.73 O=C(CCCl)N1CCC1 P42685 [0,1,0,1,0,0|1,0,0]=3 680 B9R1.75 CCOC(=O)CC1CC1 L14011 [0,1,0,1,0,0|0,0,0]=2 681 B9R1.75 N#CCC(=O)NC1CC1 P41075 [0,1,0,1,0,0|1,0,1]=4 682 B9R1.75 O=C(CCCl)NC1CC1 P37314 [0,1,0,1,0,0|1,0,0]=3 683 B9R1.100 NCCNC(=O)C1CC1 O28367 [0,1,0,1,0,0|2,0,0]=4 684 B9R1.134 NCCC1(O)CCCC1 P35729 [0,1,0,1,0,0|0,0,2]=4 685 B9R1.183 CCOC(=O)C1N=C1C K16119 [0,1,0,1,0,0|1,0,1]=4 686 B9R1.3 CC1CCCC(=O)C1C Q59611 [0,1,0,1,0,0|0,0,0]=2 687 B9R1.3 CC1CCCC(C)C1N P44629 [0,1,0,1,0,0|1,0,1]=4 688 B9R1.3 CN1CCCC(Br)C1=O Q59933 [0,1,0,1,0,0|1,0,0]=3 689 B9R1.3 CN1CCCC(N)C1=O G-7295 [0,1,0,1,0,0|1,0,0]=3 690 B9R1.3 CN1CCCC(N)C1=O Q56451 [0,1,0,1,0,0|1,0,0]=3 691 B9R1.3 CN1CCC[C@@H](N)C1=O Q63634 [0,1,0,1,0,0|1,0,0]=3 692 B9R1.3 CN1CCC[C@H](N)C1=O P51619 [0,1,0,1,0,0|1,0,0]=3 693 B9R1.3 CN1CCC[C@H](N)C1=O Q63633 [0,1,0,1,0,0|1,0,0]=3 694 B9R1.3 C[C@@H]1CNCC(=O)N1C K13421 [0,1,0,1,0,0|1,0,0]=3 695 B9R1.3 C[C@@H]1[C@H](N)CCCN1C Q64625 [0,1,0,1,0,0|1,0,1]=4 696 B9R1.3 C[C@H]1[C@@H](N)CCCN1C Q64624 [0,1,0,1,0,0|1,0,1]=4 697 B9R1.3 O=C1CCCC(Br)C1=O P45897 [0,1,0,1,0,0|1,0,1]=4 698 B9R1.5 CN1CCCNCC1=O G-7681 [0,1,0,1,0,0|1,0,0]=3 699 B9R1.5 CN1CCCNCC1=O O34334 [0,1,0,1,0,0|1,0,0]=3 700 B9R1.5 N[C@@H]1CCCCNC1=O O34511 [0,1,0,1,0,0|1,0,0]=3 701 B9R1.5 N[C@H]1CCCCNC1=O F-4004 [0,1,0,1,0,0|1,0,0]=3 702 B9R1.5 N[C@H]1CCCCNC1=O O34512 [0,1,0,1,0,0|1,0,0]=3 703 B9R1.11 C#CC(=O)N1CCCC1 L19199 [0,1,0,1,0,0|0,0,2]=4 704 B9R1.11 CCN(C)C1CCNC1 Q61827 [0,1,0,1,0,0|2,0,0]=4 705 B9R1.11 CCN(C)[C@@H]1CCNC1 Q61828 [0,1,0,1,0,0|2,0,0]=4 706 B9R1.11 CCN(C)[C@H]1CCNC1 Q61826 [0,1,0,1,0,0|2,0,0]=4 707 B9R1.11 CNC(=O)C1CCCN1 O28788 [0,1,0,1,0,0|1,0,0]=3 708 B9R1.11 CNC(=O)C1CCNC1 O28288 [0,1,0,1,0,0|1,0,0]=3 709 B9R1.11 CNC(=O)[C@@H]1CCCN1 P38764 [0,1,0,1,0,0|1,0,0]=3 710 B9R1.11 CNC(=O)[C@H]1CCCN1 O28766 [0,1,0,1,0,0|1,0,0]=3 711 B9R1.11 COC(=O)C1CCNC1 G-5251 [0,1,0,1,0,0|1,0,0]=3 712 B9R1.11 COC(=O)C1CCOC1 G-5350 [0,1,0,1,0,0|1,0,0]=3 713 B9R1.11 COC(=O)[C@@H]1CCNC1 G-5253 [0,1,0,1,0,0|1,0,0]=3 714 B9R1.11 COC(=O)[C@@H]1CCNC1 L13624 [0,1,0,1,0,0|1,0,0]=3 715 B9R1.11 COC(=O)[C@@H]1CCOC1 I-9185 [0,1,0,1,0,0|1,0,0]=3 716 B9R1.11 COC(=O)[C@H]1CCNC1 G-5252 [0,1,0,1,0,0|1,0,0]=3 717 B9R1.11 COC(=O)[C@H]1CCNC1 G-6750 [0,1,0,1,0,0|1,0,0]=3 718 B9R1.11 COC(=O)[C@H]1CCOC1 L18447 [0,1,0,1,0,0|1,0,0]=3 719 B9R1.11 NCC(=O)C1CCCC1 L19802 [0,1,0,1,0,0|1,0,0]=3 720 B9R1.11 NCC(=O)N1CCCC1 10067 [0,1,0,1,0,0|1,0,0]=3 721 B9R1.11 NCC(=O)N1CCCC1 P38567 [0,1,0,1,0,0|1,0,0]=3 722 B9R1.11 O=C(NO)C1CCCN1 Q59359 [0,1,0,1,0,0|2,0,0]=4 723 B9R1.37 CC1C(=O)CC(=O)N1C O29270 [0,1,0,1,0,0|1,0,1]=4 724 B9R1.82 C=C1CC(C(=O)OC)C1 I-9440 [0,1,0,1,0,0|1,0,1]=4 725 B9R1.82 CCC(=O)N1CC(N)C1 O29913 [0,1,0,1,0,0|1,0,0]=3 726 B9R1.82 CNC(=O)C1CC(O)C1 P49829 [0,1,0,1,0,0|1,0,0]=3 727 B9R1.82 COC(=O)C1CC(=O)C1 C-2246 [0,1,0,1,0,0|1,0,1]=4 728 B9R1.82 COC(=O)C1CC(Br)C1 H-8052 [0,1,0,1,0,0|1,0,0]=3 729 B9R1.82 COC(=O)C1CC(Cl)C1 G-6592 [0,1,0,1,0,0|1,0,0]=3 730 B9R1.82 COC(=O)C1CC(F)C1 P47896 [0,1,0,1,0,0|1,0,0]=3 731 B9R1.82 COC(=O)C1CC(N)C1 P49386 [0,1,0,1,0,0|1,0,0]=3 732 B9R1.82 COC(=O)C1CC(N)C1 Q52519 [0,1,0,1,0,0|1,0,0]=3 733 B9R1.82 COC(=O)C1CC(O)C1 A-434 [0,1,0,1,0,0|1,0,0]=3 734 B9R1.82 COC(=O)C1CC(O)C1 F-4098 [0,1,0,1,0,0|1,0,0]=3 735 B9R1.82 COC(=O)C1CC(O)C1 F-4099 [0,1,0,1,0,0|1,0,0]=3 736 B9R1.82 COC(=O)N1CC(N)C1 P45916 [0,1,0,1,0,0|2,0,0]=4 737 B9R1.82 COC(=O)N1CC(N)C1 P47078 [0,1,0,1,0,0|2,0,0]=4 738 B9R1.82 COC(=O)N1CC(O)C1 L21408 [0,1,0,1,0,0|2,0,0]=4 739 B9R1.82 COC(=O)[C@H]1C[C@@H](Br)C1 P47452 [0,1,0,1,0,0|1,0,0]=3 740 B9R1.82 COC(=O)[C@H]1C[C@@H](F)C1 P50695 [0,1,0,1,0,0|1,0,0]=3 741 B9R1.82 COC(=O)[C@H]1C[C@@H](N)C1 G-5199 [0,1,0,1,0,0|1,0,0]=3 742 B9R1.82 COC(=O)[C@H]1C[C@H](Br)C1 G-7774 [0,1,0,1,0,0|1,0,0]=3 743 B9R1.82 COC(=O)[C@H]1C[C@H](F)C1 P44032 [0,1,0,1,0,0|1,0,0]=3 744 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 G-5470 [0,1,0,1,0,0|1,0,0]=3 745 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 P44094 [0,1,0,1,0,0|1,0,0]=3 746 B9R1.82 O=C(CCl)N1CC(O)C1 P47737 [0,1,0,1,0,0|2,0,0]=4 747 B9R1.88 COC(=O)C1CC1CN I-9340 [0,1,0,1,0,0|1,0,0]=3 748 B9R1.88 COC(=O)[C@H]1C[C@@H]1CO Q54349 [0,1,0,1,0,0|1,0,0]=3 749 B9R1.101 COC(=O)C(N)C1CC1 P37580 [0,1,0,1,0,0|1,0,0]=3 750 B9R1.101 COC(=O)[C@@H](N)C1CC1 P41444 [0,1,0,1,0,0|1,0,0]=3 751 B9R1.101 COC(=O)[C@H](N)C1CC1 P41443 [0,1,0,1,0,0|1,0,0]=3 752 B9R1.132 CCN1CCC(N)C1=O Q59433 [0,1,0,1,0,0|2,0,0]=4 753 B9R1.132 CN1C(=O)CCC1CBr L20735 [0,1,0,1,0,0|1,0,0]=3 754 B9R1.132 CN1C(=O)CCC1CO M23749 [0,1,0,1,0,0|1,0,0]=3 755 B9R1.132 CN1C(=O)CC[C@@H]1CN Q64631 [0,1,0,1,0,0|1,0,0]=3 756 B9R1.132 CN1C(=O)CC[C@@H]1CO Q64630 [0,1,0,1,0,0|1,0,0]=3 757 B9R1.132 CN1C(=O)CC[C@H]1CO Q64629 [0,1,0,1,0,0|1,0,0]=3 758 B9R1.186 COC(=O)C1(Br)CCC1 P45536 [0,1,0,1,0,0|1,0,0]=3 759 B9R1.186 COC(=O)C1(C)CCN1 P44081 [0,1,0,1,0,0|2,0,0]=4 760 B9R1.186 COC(=O)C1(C)CNC1 G-7957 [0,1,0,1,0,0|2,0,0]=4 761 B9R1.186 COC(=O)C1(F)CNC1 G-7956 [0,1,0,1,0,0|2,0,0]=4 762 B9R1.186 COC(=O)C1(F)CNC1 P48605 [0,1,0,1,0,0|2,0,0]=4 763 B9R1.186 COC(=O)C1(N)CCC1 F-4742 [0,1,0,1,0,0|1,0,0]=3 764 B9R1.186 COC(=O)C1(N)CCC1 P46174 [0,1,0,1,0,0|1,0,0]=3 765 B9R1.186 COC(=O)C1(N)CNC1 P48614 [0,1,0,1,0,0|2,0,0]=4 766 B9R1.186 COC(=O)C1(N)COC1 G-5856 [0,1,0,1,0,0|2,0,0]=4 767 B9R1.186 COC(=O)C1(O)CCC1 P44931 [0,1,0,1,0,0|1,0,0]=3 768 B9R1.186 COC(=O)C1(O)CNC1 P44745 [0,1,0,1,0,0|2,0,0]=4 769 B9R1.186 COC(=O)C1(O)CNC1 P46788 [0,1,0,1,0,0|2,0,0]=4 770 B9R1.186 COC(=O)[C@@]1(C)CCN1 P43765 [0,1,0,1,0,0|2,0,0]=4 771 B9R1.186 COC(=O)[C@]1(C)CCN1 P43764 [0,1,0,1,0,0|2,0,0]=4 772 B9R1.1 C#CC1CCC(=O)CC1 Q53472 [0,1,0,1,0,0|0,0,1]=3 773 B9R1.1 CC1CCC(CN)CC1 P38698 [0,1,0,1,0,0|1,0,1]=4 774 B9R1.1 CCC1CCC(Br)CC1 Q59703 [0,1,0,1,0,0|1,0,1]=4 775 B9R1.1 CCN1CCC(N)CC1 M22705 [0,1,0,1,0,0|1,0,1]=4 776 B9R1.1 CCN1CCC(N)CC1 P38568 [0,1,0,1,0,0|1,0,1]=4 777 B9R1.1 CCN1CCC(O)CC1 L14927 [0,1,0,1,0,0|0,0,2]=4 778 B9R1.1 CN1CCC(C=O)CC1 B-1284 [0,1,0,1,0,0|1,0,1]=4 779 B9R1.1 CN1CCC(C=O)CC1 Q60235 [0,1,0,1,0,0|1,0,1]=4 780 B9R1.1 CN1CCC(CN)CC1 G-5266 [0,1,0,1,0,0|2,0,0]=4 781 B9R1.1 CN1CCC(CN)CC1 O30592 [0,1,0,1,0,0|2,0,0]=4 782 B9R1.1 CN1CCC(CN)CC1 O30759 [0,1,0,1,0,0|2,0,0]=4 783 B9R1.1 CN1CCC(CO)CC1 B-1283 [0,1,0,1,0,0|2,0,0]=4 784 B9R1.1 CNC1CCC(=O)CC1 P41929 [0,1,0,1,0,0|0,0,0]=2 785 B9R1.1 CNC1CCN(C)CC1 P34735 [0,1,0,1,0,0|2,0,0]=4 786 B9R1.1 CNC1CCN(C)CC1 P44671 [0,1,0,1,0,0|2,0,0]=4 787 B9R1.1 CNC1CCS(=O)CC1 Q57925 [0,1,0,1,0,0|1,0,0]=3 788 B9R1.1 CNC1CCS(=O)CC1 Q57926 [0,1,0,1,0,0|1,0,0]=3 789 B9R1.1 CN[C@H]1CC[C@@H](F)CC1 P45485 [0,1,0,1,0,0|1,0,1]=4 790 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 I-9002 [0,1,0,1,0,0|0,0,2]=4 791 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 P44754 [0,1,0,1,0,0|0,0,2]=4 792 B9R1.1 CN[C@H]1CC[C@H](O)CC1 I-9003 [0,1,0,1,0,0|0,0,2]=4 793 B9R1.1 CN[C@H]1CC[C@H](O)CC1 P44840 [0,1,0,1,0,0|0,0,2]=4 794 B9R1.1 COC1CCC(=O)CC1 P34719 [0,1,0,1,0,0|0,0,0]=2 795 B9R1.1 COC1CCC(O)CC1 P40387 [0,1,0,1,0,0|0,0,2]=4 796 B9R1.1 CO[C@H]1CC[C@H](N)CC1 O33520 [0,1,0,1,0,0|1,0,1]=4 797 B9R1.1 CO[C@H]1CC[C@H](N)CC1 P37077 [0,1,0,1,0,0|1,0,1]=4 798 B9R1.1 C[C@H]1CC[C@@H](CBr)CC1 P45176 [0,1,0,1,0,0|1,0,1]=4 799 B9R1.1 C[C@H]1CC[C@@H](CO)CC1 P45661 [0,1,0,1,0,0|0,0,2]=4 800 B9R1.1 N#CC1CCC(=O)CC1 O33986 [0,1,0,1,0,0|0,0,1]=3 801 B9R1.1 NC1CCC(CO)CC1 P44916 [0,1,0,1,0,0|1,0,1]=4 802 B9R1.1 NCC1CCC(=O)NC1 F-4482 [0,1,0,1,0,0|1,0,0]=3 803 B9R1.1 NCC1CCC(F)CC1 P48389 [0,1,0,1,0,0|1,0,1]=4 804 B9R1.1 NCC1CCC(F)CC1 P48983 [0,1,0,1,0,0|1,0,1]=4 805 B9R1.1 NCC1CCC(N)CC1 Q59770 [0,1,0,1,0,0|1,0,1]=4 806 B9R1.1 NCC1CCC(O)CC1 P34700 [0,1,0,1,0,0|0,0,2]=4 807 B9R1.1 NCC1CCC(O)CC1 P47419 [0,1,0,1,0,0|0,0,2]=4 808 B9R1.1 NC[C@H]1CC[C@@H](F)CC1 P47139 [0,1,0,1,0,0|1,0,1]=4 809 B9R1.1 NC[C@H]1CC[C@@H](O)CC1 L21269 [0,1,0,1,0,0|0,0,2]=4 810 B9R1.1 NC[C@H]1CC[C@@H](O)CC1 P45002 [0,1,0,1,0,0|0,0,2]=4 811 B9R1.1 NC[C@H]1CC[C@H](F)CC1 P47115 [0,1,0,1,0,0|1,0,1]=4 812 B9R1.1 NC[C@H]1CC[C@H](O)CC1 I-9344 [0,1,0,1,0,0|0,0,2]=4 813 B9R1.1 NC[C@H]1CC[C@H](O)CC1 Q52032 [0,1,0,1,0,0|0,0,2]=4 814 B9R1.1 N[C@H]1CC[C@@H](CO)CC1 G-6713 [0,1,0,1,0,0|1,0,1]=4 815 B9R1.1 N[C@H]1CC[C@@H](CO)CC1 P44180 [0,1,0,1,0,0|1,0,1]=4 816 B9R1.1 N[C@H]1CC[C@H](CF)CC1 P47760 [0,1,0,1,0,0|1,0,1]=4 817 B9R1.1 N[C@H]1CC[C@H](CO)CC1 G-6714 [0,1,0,1,0,0|1,0,1]=4 818 B9R1.1 N[C@H]1CC[C@H](CO)CC1 P44327 [0,1,0,1,0,0|1,0,1]=4 819 B9R1.1 O=C1CCC(CBr)CN1 L20956 [0,1,0,1,0,0|1,0,0]=3 820 B9R1.1 O=C1CCC(CO)CC1 O32541 [0,1,0,1,0,0|0,0,0]=2 821 B9R1.1 O=C1CCC(CO)CN1 H-8442 [0,1,0,1,0,0|1,0,0]=3 822 B9R1.1 O=C1CO[C@@H](CO)CN1 Q65251 [0,1,0,1,0,0|2,0,0]=4 823 B9R1.1 O=C1CO[C@H](CO)CN1 Q65252 [0,1,0,1,0,0|2,0,0]=4 824 B9R1.1 O=C[C@H]1CC[C@H](F)CC1 S72521 [0,1,0,1,0,0|1,0,1]=4 825 B9R1.1 O=C[C@H]1CC[C@H](O)CC1 P48925 [0,1,0,1,0,0|1,0,1]=4 826 B9R1.1 OCC1CCC(O)CC1 P45738 [0,1,0,1,0,0|0,0,2]=4 827 B9R1.1 OC[C@H]1CC[C@@H](F)CC1 P47182 [0,1,0,1,0,0|1,0,1]=4 828 B9R1.1 OC[C@H]1CC[C@@H](O)CC1 P45690 [0,1,0,1,0,0|0,0,2]=4 829 B9R1.1 OC[C@H]1CC[C@H](F)CC1 P47209 [0,1,0,1,0,0|1,0,1]=4 830 B9R1.1 OC[C@H]1CC[C@H](O)CC1 P45689 [0,1,0,1,0,0|0,0,2]=4 831 B9R1.79 CCC(=O)NC1CNC1 P47079 [0,1,0,1,0,0|1,0,0]=3 832 B9R1.79 CNC(=O)NC1CNC1 P47041 [0,1,0,1,0,0|2,0,0]=4 833 B9R1.79 CNC(=O)NC1CNC1 P49948 [0,1,0,1,0,0|2,0,0]=4 834 B9R1.79 CNC(=O)OC1CNC1 P49999 [0,1,0,1,0,0|2,0,0]=4 835 B9R1.79 COC(=O)C=C1CCC1 P48215 [0,1,0,1,0,0|1,0,1]=4 836 B9R1.79 COC(=O)CC1CCC1 O28770 [0,1,0,1,0,0|1,0,0]=3 837 B9R1.79 COC(=O)CC1CNC1 C-3312 [0,1,0,1,0,0|1,0,0]=3 838 B9R1.79 COC(=O)CC1CNC1 C-3312-1 [0,1,0,1,0,0|1,0,0]=3 839 B9R1.79 COC(=O)CC1CNC1 P34702 [0,1,0,1,0,0|1,0,0]=3 840 B9R1.79 COC(=O)CC1COC1 G-5284 [0,1,0,1,0,0|1,0,0]=3 841 B9R1.79 COC(=O)NC1CNC1 P47019 [0,1,0,1,0,0|2,0,0]=4 842 B9R1.79 COC(=O)NC1CNC1 P48973 [0,1,0,1,0,0|2,0,0]=4 843 B9R1.79 O=C(CBr)CC1CCC1 P47346 [0,1,0,1,0,0|1,0,0]=3 844 B9R1.80 COC(=O)CNC1CC1 L20586 [0,1,0,1,0,0|1,0,0]=3 845 B9R1.80 COC(=O)CNC1CC1 P36966 [0,1,0,1,0,0|1,0,0]=3 846 B9R1.80 COC(=O)\C=C\C1CC1 O29404 [0,1,0,1,0,0|1,0,1]=4 847 B9R1.80 O=C(CCl)NCC1CC1 M23153 [0,1,0,1,0,0|1,0,0]=3 848 B9R1.81 COC(=O)C1CCC1N P48812 [0,1,0,1,0,0|1,0,0]=3 849 B9R1.81 COC(=O)C1CCN1C P45741 [0,1,0,1,0,0|1,0,0]=3 850 B9R1.81 COC(=O)C1CNC1C L14496 [0,1,0,1,0,0|1,0,0]=3 851 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N F-4529 [0,1,0,1,0,0|1,0,0]=3 852 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N G-6951 [0,1,0,1,0,0|1,0,0]=3 853 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N K12006 [0,1,0,1,0,0|1,0,0]=3 854 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N P48655 [0,1,0,1,0,0|1,0,0]=3 855 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N P50299 [0,1,0,1,0,0|1,0,0]=3 856 B9R1.81 COC(=O)[C@@H]1CC[C@H]1N P47008 [0,1,0,1,0,0|1,0,0]=3 857 B9R1.81 COC(=O)[C@@H]1CC[C@H]1N Q56097 [0,1,0,1,0,0|1,0,0]=3 858 B9R1.81 COC(=O)[C@@H]1CN[C@H]1C P50301 [0,1,0,1,0,0|1,0,0]=3 859 B9R1.81 COC(=O)[C@H]1CC[C@H]1N P48086 [0,1,0,1,0,0|1,0,0]=3 860 B9R1.81 COC(=O)[C@H]1CC[C@H]1N Q52809 [0,1,0,1,0,0|1,0,0]=3 861 B9R1.118 CCC1(N)CCCCC1 Q59746 [0,1,0,1,0,0|1,0,1]=4 862 B9R1.118 CCC1(N)CCCOC1 Q61496 [0,1,0,1,0,0|1,0,1]=4 863 B9R1.118 CCC1(N)CCOCC1 L14322 [0,1,0,1,0,0|1,0,1]=4 864 B9R1.118 CCC1(N)CCOCC1 Q61428 [0,1,0,1,0,0|1,0,1]=4 865 B9R1.118 CCC1(N)CCSCC1 Q61459 [0,1,0,1,0,0|1,0,1]=4 866 B9R1.118 CCC1(O)CCCOC1 Q61497 [0,1,0,1,0,0|0,0,2]=4 867 B9R1.118 CCC1(O)CCNCC1 D-2559 [0,1,0,1,0,0|0,0,2]=4 868 B9R1.118 CCC1(O)CCNCC1 L13716 [0,1,0,1,0,0|0,0,2]=4 869 B9R1.6 CC(N)C1CCCCC1 M23210 [0,1,0,1,0,0|1,0,1]=4 870 B9R1.6 CC(N)C1CCCCO1 Q57678 [0,1,0,1,0,0|0,0,2]=4 871 B9R1.6 CC(O)C1CCCCC1 P42370 [0,1,0,1,0,0|1,0,1]=4 872 B9R1.6 C[C@@H](N)C1CCCCO1 Q57872 [0,1,0,1,0,0|0,0,2]=4 873 B9R1.6 C[C@@H](N)C1CCCCO1 Q57873 [0,1,0,1,0,0|0,0,2]=4 874 B9R1.23 CC1C[C@@H](CO)NC1=O Q61857 [0,1,0,1,0,0|2,0,0]=4 875 B9R1.23 CN1CC(CBr)CC1=O L20739 [0,1,0,1,0,0|2,0,0]=4 876 B9R1.23 CN1CC(CN)CC1=O I-9450 [0,1,0,1,0,0|2,0,0]=4 877 B9R1.23 CN1CC(CN)CC1=O L18600 [0,1,0,1,0,0|2,0,0]=4 878 B9R1.23 CN1CC(CO)CC1=O L22372 [0,1,0,1,0,0|2,0,0]=4 879 B9R1.23 CN1C[C@@H](CN)CC1=O Q64125 [0,1,0,1,0,0|2,0,0]=4 880 B9R1.23 CN1C[C@H](CN)CC1=O Q64124 [0,1,0,1,0,0|2,0,0]=4 881 B9R1.35 O=C1CCC(C(=O)O)C1 G-6041 [0,1,0,1,0,0|1,0,1]=4 882 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 L13054 [0,1,0,1,0,0|1,0,1]=4 883 B9R1.35 O=C1CC[C@H](C(=O)O)C1 L13053 [0,1,0,1,0,0|1,0,1]=4 884 B9R1.40 CC1(C)C=CCCC1=O P43828 [0,1,0,1,0,0|0,0,2]=4 885 B9R1.40 CC1(C)CCCCC1=O P49436 [0,1,0,1,0,0|0,0,0]=2 886 B9R1.40 CC1(C)CNCCC1=O G-7989 [0,1,0,1,0,0|1,0,0]=3 887 B9R1.40 CC1(C)COCCC1=O L13076 [0,1,0,1,0,0|1,0,0]=3 888 B9R1.40 CC1(C)NCCNC1=O G-7651 [0,1,0,1,0,0|2,0,0]=4 889 B9R1.40 CC1(C)OCCCC1=O Q61432 [0,1,0,1,0,0|1,0,0]=3 890 B9R1.40 CC1(O)CCCCC1N Q59554 [0,1,0,1,0,0|1,0,1]=4 891 B9R1.40 CC1(O)COCCC1=O Q54633 [0,1,0,1,0,0|1,0,0]=3 892 B9R1.40 CC1CCCCC1(C)O Q59744 [0,1,0,1,0,0|0,0,2]=4 893 B9R1.40 O=C1CCCCC1(F)F P44010 [0,1,0,1,0,0|1,0,0]=3 894 B9R1.40 O=C1CCNCC1(F)F G-7341 [0,1,0,1,0,0|2,0,0]=4 895 B9R1.40 O=C1CCOCC1(F)F Q64141 [0,1,0,1,0,0|2,0,0]=4 896 B9R1.40 O=C1NCCCC1(F)F Q63588 [0,1,0,1,0,0|2,0,0]=4 897 B9R1.106 CC1(C)C(=O)NCC1N L13294 [0,1,0,1,0,0|2,0,0]=4 898 B9R1.106 CC1(C)C(=O)NC[C@@H]1N O33145 [0,1,0,1,0,0|2,0,0]=4 899 B9R1.106 CC1(C)C(=O)NC[C@H]1N L13424 [0,1,0,1,0,0|2,0,0]=4 900 B9R1.110 CC(Br)C(=O)C1CCC1 P47345 [0,1,0,1,0,0|0,0,0]=2 901 B9R1.110 CN(C)C(=O)C1CCC1 P45456 [0,1,0,1,0,0|1,0,0]=3 902 B9R1.110 CN(C)C(=O)C1CCN1 O28171 [0,1,0,1,0,0|2,0,0]=4 903 B9R1.110 CN(C)C(=O)C1CNC1 C-3421 [0,1,0,1,0,0|2,0,0]=4 904 B9R1.110 CN(C)C(=O)C1CNC1 C-3421-01 [0,1,0,1,0,0|2,0,0]=4 905 B9R1.10 C=C1CCC(C)(O)CC1 P43800 [0,1,0,1,0,0|1,0,0]=3 906 B9R1.10 C=C1CCC(F)(F)CC1 H-8646 [0,1,0,1,0,0|2,0,0]=4 907 B9R1.10 CC1(C)CC=C(Br)CC1 N24756 [0,1,0,1,0,0|1,0,1]=4 908 B9R1.10 CC1(C)CCC(=O)NC1 Q63050 [0,1,0,1,0,0|1,0,0]=3 909 B9R1.10 CC1(C)CCC(Br)CC1 P45889 [0,1,0,1,0,0|1,0,1]=4 910 B9R1.10 CC1(C)CCC(N)=NC1 Q65224 [0,1,0,1,0,0|2,0,0]=4 911 B9R1.10 CC1(C)CCC(N)CC1 P44532 [0,1,0,1,0,0|1,0,1]=4 912 B9R1.10 CC1(C)CCC(O)CC1 P44654 [0,1,0,1,0,0|0,0,2]=4 913 B9R1.10 CC1(C)CNC(=O)CN1 L13881 [0,1,0,1,0,0|2,0,0]=4 914 B9R1.10 CC1(F)CCC(N)CC1 P49390 [0,1,0,1,0,0|1,0,1]=4 915 B9R1.10 CC1(F)CCC(N)CC1 Q54924 [0,1,0,1,0,0|1,0,1]=4 916 B9R1.10 CC1(N)CCC(=O)CC1 P48980 [0,1,0,1,0,0|0,0,0]=2 917 B9R1.10 CC1(N)CCS(=O)CC1 Q57987 [0,1,0,1,0,0|1,0,0]=3 918 B9R1.10 CC1(O)CCC(=O)CC1 D-2566 [0,1,0,1,0,0|0,0,0]=2 919 B9R1.10 CC1(O)CCC(N)CC1 G-7518 [0,1,0,1,0,0|1,0,1]=4 920 B9R1.10 CC1CCC(C)(N)CC1 Q59745 [0,1,0,1,0,0|1,0,1]=4 921 B9R1.10 CN1CCC(C)(N)CC1 Q63686 [0,1,0,1,0,0|2,0,0]=4 922 B9R1.10 C[C@]1(N)CC[C@@H](O)CC1 L13270 [0,1,0,1,0,0|0,0,2]=4 923 B9R1.10 C[C@]1(N)CC[C@@H](O)CC1 P43901 [0,1,0,1,0,0|0,0,2]=4 924 B9R1.10 C[C@]1(N)CC[C@H](O)CC1 G-7987 [0,1,0,1,0,0|0,0,2]=4 925 B9R1.10 C[C@]1(N)CC[C@H](O)CC1 P48357 [0,1,0,1,0,0|0,0,2]=4 926 B9R1.10 C[C@]1(O)CC[C@@H](N)CC1 G-6710 [0,1,0,1,0,0|1,0,1]=4 927 B9R1.10 C[C@]1(O)CC[C@@H](O)CC1 L21398 [0,1,0,1,0,0|0,0,2]=4 928 B9R1.10 C[C@]1(O)CC[C@H](N)CC1 G-6711 [0,1,0,1,0,0|1,0,1]=4 929 B9R1.10 C[C@]1(O)CC[C@H](O)CC1 P49152 [0,1,0,1,0,0|0,0,2]=4 930 B9R1.10 NC1CCS(=O)(=O)CC1 G-7271 [0,1,0,1,0,0|2,0,0]=4 931 B9R1.10 NC1CCS(=O)(=O)CC1 L14029 [0,1,0,1,0,0|2,0,0]=4 932 B9R1.10 O=C1CCC(F)(F)CC1 G-7873 [0,1,0,1,0,0|1,0,0]=3 933 B9R1.10 O=C1CCC(F)(F)CN1 I-9477 [0,1,0,1,0,0|2,0,0]=4 934 B9R1.10 O=C1CCS(=O)(=O)CC1 P40534 [0,1,0,1,0,0|2,0,0]=4 935 B9R1.10 O=S1(=O)CCC(Cl)CC1 Q57880 [0,1,0,1,0,0|2,0,0]=4 936 B9R1.10 O=S1(=O)CCC(I)CC1 Q57884 [0,1,0,1,0,0|2,0,0]=4 937 B9R1.125 CC1(CN)CCC(=O)N1 Q65054 [0,1,0,1,0,0|2,0,0]=4 938 B9R1.125 CC1(CO)CCC(=O)N1 Q65055 [0,1,0,1,0,0|2,0,0]=4 939 B9R1.125 CC1(CO)CNC(=O)C1 Q61575 [0,1,0,1,0,0|2,0,0]=4 940 B9R1.133 CNC1CCS(=O)(=O)C1 P37594 [0,1,0,1,0,0|2,0,0]=4 941 B9R1.138 CC1(C)CNC(=O)C1O Q61925 [0,1,0,1,0,0|2,0,0]=4 942 B9R1.204 COC1(C=O)CCCC1 Q57291 [0,1,0,1,0,0|1,0,1]=4 943 B9R1.62 CCS(=O)(=O)C1CNC1 P46957 [0,1,0,1,0,0|2,0,0]=4 944 B9R1.62 CCS(=O)(=O)C1CNC1 P48490 [0,1,0,1,0,0|2,0,0]=4 945 B9R2.33 O=C1CC2CCC2C1 Q54738 [0,0,0,2,0,0|0,0,0]=2 946 B9R2.33 O=C1NC2CCC2O1 Q58026 [0,0,0,2,0,0|2,0,0]=4 947 B9R2.39 BrC1CC2CCC1C2 P45805 [0,0,0,2,0,0|1,0,1]=4 948 B9R2.39 NC1CC2CCC1C2 P41250 [0,0,0,2,0,0|1,0,1]=4 949 B9R2.39 NC1CC2CCC1C2 P45140 [0,0,0,2,0,0|1,0,1]=4 950 B9R2.39 N[C@@H]1C[C@@H]2CC[C@H]1C2 P45110 [0,0,0,2,0,0|1,0,1]=4 951 B9R2.39 N[C@@H]1C[C@H]2CC[C@@H]1C2 P48888 [0,0,0,2,0,0|1,0,1]=4 952 B9R2.39 N[C@H]1C[C@@H]2CC[C@H]1C2 P45111 [0,0,0,2,0,0|1,0,1]=4 953 B9R2.39 N[C@H]1C[C@H]2CC[C@@H]1C2 P44165 [0,0,0,2,0,0|1,0,1]=4 954 B9R2.39 N[C@H]1C[C@H]2CC[C@@H]1C2 P49356 [0,0,0,2,0,0|1,0,1]=4 955 B9R2.39 O=C1CC2CC1CN2 P47120 [0,0,0,2,0,0|1,0,0]=3 956 B9R2.39 O=C1CC2CC1CO2 P49791 [0,0,0,2,0,0|1,0,0]=3 957 B9R2.39 O=C1CC2CCC1O2 P45436 [0,0,0,2,0,0|1,0,0]=3 958 B9R2.39 O=C1CC2CNC1C2 P46610 [0,0,0,2,0,0|1,0,0]=3 959 B9R2.39 O=C1CN2CCC1C2 P44394 [0,0,0,2,0,0|1,0,0]=3 960 B9R2.39 O=C1C[C@@H]2CC[C@H]1C2 P45557 [0,0,0,2,0,0|0,0,0]=2 961 B9R2.39 O=C1C[C@@H]2CC[C@H]1C2 Q52554 [0,0,0,2,0,0|0,0,0]=2 962 B9R2.39 O=C1C[C@H]2C[C@@H]1CN2 P49261 [0,0,0,2,0,0|1,0,0]=3 963 B9R2.39 O=C1NC2CCC1C2 P45900 [0,0,0,2,0,0|1,0,0]=3 964 B9R2.39 O=C1OC2CCC1C2 P45453 [0,0,0,2,0,0|1,0,0]=3 965 B9R2.39 O=C1OC2CNC1C2 L19710 [0,0,0,2,0,0|2,0,0]=4 966 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 P45200 [0,0,0,2,0,0|2,0,0]=4 967 B9R2.39 OC1CC2CCC1C2 P47714 [0,0,0,2,0,0|0,0,2]=4 968 B9R2.39 O[C@H]1C[C@H]2CC[C@@H]1C2 P45404 [0,0,0,2,0,0|0,0,2]=4 969 B9R2.39 [C@H]12CC[C@H](C1)[C@@H](O)C2 K13497 [0,0,0,2,0,0|0,0,2]=4 970 B9R2.68 C1CC2CCC(C1)N2 G-5152 [0,0,0,2,0,0|1,0,1]=4 971 B9R2.68 C1CC2CCC(C1)N2 P44257 [0,0,0,2,0,0|1,0,1]=4 972 B9R2.110 NC12CCC(CC1)C2 P46202 [0,0,0,2,0,0|1,0,1]=4 973 B9R2.110 OC12CCC(CC1)C2 P45527 [0,0,0,2,0,0|0,0,2]=4 974 B9R2.139 NC1CCC2(CC2)C1 Q54479 [0,0,0,2,0,0|1,0,1]=4 975 B9R2.139 O=C1CC2(CC2)CO1 O33397 [0,0,0,2,0,0|1,0,0]=3 976 B9R2.139 O=C1CCC2(CC2)C1 Q62619 [0,0,0,2,0,0|0,0,0]=2 977 B9R2.139 OC1CCC2(CC2)C1 Q62620 [0,0,0,2,0,0|0,0,2]=4 978 B9R2.49 C1CC2CCC1CN2 G-7237 [0,0,0,2,0,0|1,0,1]=4 979 B9R2.49 C1CC2CCC1CN2 I-9790 [0,0,0,2,0,0|1,0,1]=4 980 B9R2.50 C1CC[C@H]2NC[C@H]2C1 Q58793 [0,0,0,2,0,0|1,0,1]=4 981 B9R2.53 O=C1C2CNCC1C2 O32961 [0,0,0,2,0,0|1,0,0]=3 982 B9R2.53 O=C1C2CNCC1C2 P48314 [0,0,0,2,0,0|1,0,0]=3 983 B9R2.123 NC1C2CCCCC12 P44913 [0,0,0,2,0,0|1,0,1]=4 984 B9R2.123 NC1C2CCCCC12 Q53099 [0,0,0,2,0,0|1,0,1]=4 985 B9R2.174 C1CCC2(CC2)NC1 Q65262 [0,0,0,2,0,0|1,0,1]=4 986 B9R2.19 O=C1CCC2CC1C2 P44051 [0,0,0,2,0,0|0,0,0]=2 987 B9R2.19 O=C1NCC2CC1C2 K16109 [0,0,0,2,0,0|1,0,0]=3 988 B9R2.19 O=C1NCC2CC1N2 P44085 [0,0,0,2,0,0|2,0,0]=4 989 B9R2.21 O=C1CC2CC2CN1 Q53445 [0,0,0,2,0,0|1,0,0]=3 990 B9R2.21 O=C1CCC2CC2N1 Q53446 [0,0,0,2,0,0|1,0,0]=3 991 B9R2.6 NC12CCCCC1C2 P46405 [0,0,0,2,0,0|1,0,1]=4 992 B9R2.6 NC12CCCCC1C2 Q65216 [0,0,0,2,0,0|1,0,1]=4 993 B9R2.109 NC1CCCC2CC12 Q63668 [0,0,0,2,0,0|1,0,1]=4 994 B9R2.109 NC1CCCC2CC12 Q63669 [0,0,0,2,0,0|1,0,1]=4 995 B9R2.109 N[C@@H]1CCC[C@H]2C[C@H]21 Q63670 [0,0,0,2,0,0|1,0,1]=4 996 B9R2.109 N[C@H]1CCC[C@H]2C[C@@H]12 Q63671 [0,0,0,2,0,0|1,0,1]=4 997 B9R2.109 O=C1CCCC2CC12 H-8032 [0,0,0,2,0,0|0,0,0]=2 998 B9R2.109 O=C1CCCC2OC12 10693 [0,0,0,2,0,0|1,0,0]=3 999 B9R2.109 O=C1COCC2CC12 Q63936 [0,0,0,2,0,0|1,0,0]=3 1000 B9R2.109 O=C1NCCC2CC12 Q61174 [0,0,0,2,0,0|1,0,0]=3 1001 B9R2.109 OC1CCCC2CC12 Q63664 [0,0,0,2,0,0|0,0,2]=4 1002 B9R2.109 O[C@@H]1CCC[C@@H]2C[C@H]12 Q63667 [0,0,0,2,0,0|0,0,2]=4 1003 B9R2.109 O[C@H]1CCC[C@H]2C[C@@H]12 Q63665 [0,0,0,2,0,0|0,0,2]=4 1004 B9R2.109 O[C@H]1CCC[C@H]2C[C@@H]12 Q63666 [0,0,0,2,0,0|0,0,2]=4 1005 B9R2.140 NC1CCC12CCC2 P46484 [0,0,0,2,0,0|1,0,1]=4 1006 B9R2.140 NC1CCC12CCC2 Q62514 [0,0,0,2,0,0|1,0,1]=4 1007 B9R2.140 O=C1CCC12CCC2 Q56022 [0,0,0,2,0,0|0,0,0]=2 1008 B9R2.140 O=C1CCC12CNC2 Q56056 [0,0,0,2,0,0|1,0,0]=3 1009 B9R2.140 O=C1CCC12COC2 Q55990 [0,0,0,2,0,0|1,0,0]=3 1010 B9R2.140 OC1CCC12CCC2 Q54733 [0,0,0,2,0,0|0,0,2]=4 1011 B9R2.173 C1CCC2(C1)CCN2 L14449 [0,0,0,2,0,0|1,0,1]=4 1012 B9R2.7 O=C1CC2CC=CC12 Q56018 [0,0,0,2,0,0|0,0,2]=4 1013 B9R2.7 O=C1CC2CNCC12 Q55051 [0,0,0,2,0,0|1,0,0]=3