0 B7R0.4 C#CCNCC(=O)O L20673 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.4 C#CCOCC(=O)O O29707 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.4 C=CCOCC(=O)O P39548 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.4 CC(=O)NCCCN P38199 [0,0,0,0,0,0|2,0,0]=2 4 B7R0.4 CNCCNC(C)=O P41559 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.4 COCCCC(=O)O P39031 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.4 NCCNCC(=O)O O28634 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.4 NCCOCC(=O)O P35961 [0,0,0,0,0,0|3,0,0]=3 8 B7R0.4 [N-]=[N+]=NCCC(=O)O 10071 [0,0,0,0,0,0|4,0,0]=4 9 B6R0.4 C#CCNC(C)=O P36776 [1,0,0,0,0,0|1,0,2]=4 10 B6R0.4 CCNCC(=O)O P37534 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.4 CCNCC(N)=O P36580 [1,0,0,0,0,0|2,0,0]=3 12 B6R0.4 CN(C)CCCBr O34500 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.4 CNCCC(=O)O P36779 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.4 CNCCC(=O)O P39205 [1,0,0,0,0,0|2,0,0]=3 15 B6R0.4 CNCCC(C)O P38146 [1,0,0,0,0,0|1,0,2]=4 16 B6R0.4 CNCCC(N)=O P37896 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.6 C#CCCCCI P39398 [1,0,0,0,0,0|1,0,2]=4 18 B6R0.6 C#CCCCCN O31570 [1,0,0,0,0,0|1,0,2]=4 19 B6R0.6 C#CCCCNC L19187 [1,0,0,0,0,0|1,0,2]=4 20 B6R0.6 CNCCCCN L19491 [1,0,0,0,0,0|2,0,0]=3 21 B6R0.6 CNCCCOC P37437 [1,0,0,0,0,0|2,0,0]=3 22 B6R0.6 COCCCCN O29739 [1,0,0,0,0,0|2,0,0]=3 23 B8R0.5 C=CC[C@@H](N)CC(=O)O Q69101 [0,1,0,0,0,0|1,0,2]=4 24 B8R0.5 CCCC(=O)CC(C)=O O29704 [0,1,0,0,0,0|0,0,1]=2 25 B8R0.5 COCC(O)CC(=O)O F-4460 [0,1,0,0,0,0|2,0,0]=3 26 B8R0.6 CNCCCC(=O)OC H-8710 [0,1,0,0,0,0|1,0,0]=2 27 B8R0.6 COC(=O)CCCCN P38983 [0,1,0,0,0,0|1,0,0]=2 28 B8R0.7 C#CCCCCC(=O)O P38906 [0,1,0,0,0,0|1,0,1]=3 29 B8R0.7 C#CCOCCC(=O)O O29692 [0,1,0,0,0,0|1,0,2]=4 30 B8R0.7 CCNCCCN(C)C G-7104 [0,1,0,0,0,0|2,0,0]=3 31 B8R0.7 CN(C)CCCCCN P38845 [0,1,0,0,0,0|2,0,0]=3 32 B8R0.7 CN(C)CCOCCN P35778 [0,1,0,0,0,0|3,0,0]=4 33 B8R0.7 CNCCCCC(=O)O P35932 [0,1,0,0,0,0|1,0,0]=2 34 B8R0.7 CNCCCNC(C)=O P37409 [0,1,0,0,0,0|1,0,0]=2 35 B8R0.7 NCCCCNC(N)=O L20055 [0,1,0,0,0,0|2,0,0]=3 36 B8R0.7 NCCOCCC(=O)O P41214 [0,1,0,0,0,0|2,0,0]=3 37 B8R0.7 [N-]=[N+]=NCCCC(=O)O 10015 [0,1,0,0,0,0|3,0,0]=4 38 B8R0.8 C#CCCC(N)C(=O)O P39732 [0,1,0,0,0,0|1,0,2]=4 39 B8R0.8 C=CCCC(N)C(=O)O P40793 [0,1,0,0,0,0|1,0,2]=4 40 B8R0.8 C=CCCC(N)C(N)=O Q65911 [0,1,0,0,0,0|1,0,2]=4 41 B8R0.8 C=CCC[C@@H](N)C(=O)O P42941 [0,1,0,0,0,0|1,0,2]=4 42 B8R0.8 C=CCC[C@H](N)C(=O)O P35206 [0,1,0,0,0,0|1,0,2]=4 43 B8R0.8 CC#CC[C@@H](N)C(=O)O Q65835 [0,1,0,0,0,0|1,0,2]=4 44 B8R0.8 CC#CC[C@H](N)C(=O)O Q65833 [0,1,0,0,0,0|1,0,2]=4 45 B8R0.8 CC(=O)N(C)CCCN P35843 [0,1,0,0,0,0|2,0,0]=3 46 B8R0.8 C[Se]CC[C@H](N)C(=O)O P38844 [0,1,0,0,0,0|2,0,0]=3 47 B8R0.8 N[C@H](CCCO)C(=O)O P37057 [0,1,0,0,0,0|2,0,0]=3 48 B8R0.9 C=CC(N)CCC(=O)O M15322 [0,1,0,0,0,0|1,0,2]=4 49 B8R0.9 CCC(C)OCC(=O)O P34749 [0,1,0,0,0,0|2,0,0]=3 50 B8R0.9 COC(=O)CNC(C)=O P42621 [0,1,0,0,0,0|2,0,1]=4 51 B8R0.9 NCC(=O)CCC(=O)O P37517 [0,1,0,0,0,0|2,0,1]=4 52 B8R0.21 CCCCCS(N)(=O)=O P44483 [0,1,0,0,0,0|2,0,0]=3 53 B8R0.21 CCCCNP(N)(N)=O O29921 [0,1,0,0,0,0|3,0,0]=4 54 B8R0.21 CS(=O)(=O)NCCCN P35493 [0,1,0,0,0,0|3,0,0]=4 55 B8R0.28 CC(=O)\C=C\CC(C)C O31440 [0,1,0,0,0,0|0,0,2]=3 56 B8R0.28 CC(C)CNCC(=O)O P38861 [0,1,0,0,0,0|2,0,0]=3 57 B8R1.1 C=CC1CCC(=O)C1 Q57034 [0,0,0,1,0,0|0,0,2]=3 58 B8R1.1 C=CC1COC(=O)C1 F-4407 [0,0,0,1,0,0|1,0,2]=4 59 B8R1.1 CCC1CCC(C)N1 Q59319 [0,0,0,1,0,0|1,0,1]=3 60 B8R1.1 CCN1CCC(N)C1 L21975 [0,0,0,1,0,0|2,0,1]=4 61 B8R1.1 CCN1CCC(N)C1 O30179 [0,0,0,1,0,0|2,0,1]=4 62 B8R1.1 CCN1CC[C@@H](N)C1 L21955 [0,0,0,1,0,0|2,0,1]=4 63 B8R1.1 CCN1CC[C@H](N)C1 L21974 [0,0,0,1,0,0|2,0,1]=4 64 B8R1.1 CN1CCC(CO)C1 O34373 [0,0,0,1,0,0|3,0,0]=4 65 B8R1.1 CN1CC[C@@H](CN)C1 I-9757 [0,0,0,1,0,0|3,0,0]=4 66 B8R1.1 CN1CC[C@@H](CN)C1 L14238 [0,0,0,1,0,0|3,0,0]=4 67 B8R1.1 CN1CC[C@@H](CO)C1 G-5013 [0,0,0,1,0,0|3,0,0]=4 68 B8R1.1 CN1CC[C@H](CN)C1 I-9844 [0,0,0,1,0,0|3,0,0]=4 69 B8R1.1 CN1CC[C@H](CO)C1 G-5012 [0,0,0,1,0,0|3,0,0]=4 70 B8R1.1 CNC1CCN(C)C1 G-5265 [0,0,0,1,0,0|3,0,0]=4 71 B8R1.1 CNC1CNC(=O)C1 L19088 [0,0,0,1,0,0|2,0,0]=3 72 B8R1.1 CN[C@@H]1CCN(C)C1 I-9892 [0,0,0,1,0,0|3,0,0]=4 73 B8R1.1 CN[C@H]1CCN(C)C1 I-9891 [0,0,0,1,0,0|3,0,0]=4 74 B8R1.1 CN[C@H]1CNC(=O)C1 Q61671 [0,0,0,1,0,0|2,0,0]=3 75 B8R1.1 COC1CCC(N)C1 L22158 [0,0,0,1,0,0|2,0,1]=4 76 B8R1.1 COC1CCC(N)C1 Q52668 [0,0,0,1,0,0|2,0,1]=4 77 B8R1.1 COC1CCC(O)C1 Q57014 [0,0,0,1,0,0|1,0,2]=4 78 B8R1.1 COC1CCN(N)C1 O29317 [0,0,0,1,0,0|3,0,0]=4 79 B8R1.1 CO[C@@H]1CC[C@@H](N)C1 O33204 [0,0,0,1,0,0|2,0,1]=4 80 B8R1.1 CO[C@@H]1CC[C@@H](N)C1 Q64245 [0,0,0,1,0,0|2,0,1]=4 81 B8R1.1 CO[C@@H]1CC[C@@H](O)C1 Q56989 [0,0,0,1,0,0|1,0,2]=4 82 B8R1.1 CO[C@@H]1CC[C@H](N)C1 Q64243 [0,0,0,1,0,0|2,0,1]=4 83 B8R1.1 CO[C@@H]1CC[C@H](N)C1 Q64248 [0,0,0,1,0,0|2,0,1]=4 84 B8R1.1 CO[C@@H]1CC[C@H](O)C1 Q57013 [0,0,0,1,0,0|1,0,2]=4 85 B8R1.1 CO[C@H]1CC[C@@H](N)C1 O33413 [0,0,0,1,0,0|2,0,1]=4 86 B8R1.1 CO[C@H]1CC[C@@H](N)C1 Q64247 [0,0,0,1,0,0|2,0,1]=4 87 B8R1.1 CO[C@H]1CC[C@H](N)C1 Q64244 [0,0,0,1,0,0|2,0,1]=4 88 B8R1.1 CO[C@H]1CC[C@H](N)C1 Q64246 [0,0,0,1,0,0|2,0,1]=4 89 B8R1.1 C[C@@H]1CC[C@H](CO)N1 Q59341 [0,0,0,1,0,0|2,0,1]=4 90 B8R1.1 N#CC1CNC(=O)C1 P45137 [0,0,0,1,0,0|2,0,1]=4 91 B8R1.1 N#C[C@@H]1CCC(=O)C1 Q55084 [0,0,0,1,0,0|1,0,1]=3 92 B8R1.1 N#C[C@H]1CCC(=O)C1 Q55085 [0,0,0,1,0,0|1,0,1]=3 93 B8R1.1 NCC1CCC(F)C1 Q52913 [0,0,0,1,0,0|2,0,1]=4 94 B8R1.1 NCC1CNC(=O)C1 G-5016 [0,0,0,1,0,0|2,0,0]=3 95 B8R1.1 NCC1CNC(=O)C1 G-5352 [0,0,0,1,0,0|2,0,0]=3 96 B8R1.1 NCC1CNC(=O)O1 F-4726 [0,0,0,1,0,0|3,0,0]=4 97 B8R1.1 NCC1CNC(=O)O1 L13152 [0,0,0,1,0,0|3,0,0]=4 98 B8R1.1 NCC1COC(=O)N1 L13942 [0,0,0,1,0,0|3,0,0]=4 99 B8R1.1 NC[C@@H]1CCC(=O)N1 10036 [0,0,0,1,0,0|2,0,0]=3 100 B8R1.1 NC[C@@H]1CCC(=O)N1 O33611 [0,0,0,1,0,0|2,0,0]=3 101 B8R1.1 NC[C@@H]1CC[C@@H](F)C1 Q52915 [0,0,0,1,0,0|2,0,1]=4 102 B8R1.1 NC[C@@H]1CC[C@@H](O)C1 Q57119 [0,0,0,1,0,0|1,0,2]=4 103 B8R1.1 NC[C@@H]1CC[C@H](O)C1 Q57118 [0,0,0,1,0,0|1,0,2]=4 104 B8R1.1 NC[C@@H]1CNC(=O)C1 I-9821 [0,0,0,1,0,0|2,0,0]=3 105 B8R1.1 NC[C@@H]1CNC(=O)C1 L13273 [0,0,0,1,0,0|2,0,0]=3 106 B8R1.1 NC[C@@H]1CNC(=O)O1 L13195 [0,0,0,1,0,0|3,0,0]=4 107 B8R1.1 NC[C@H]1CCC(=O)N1 10096 [0,0,0,1,0,0|2,0,0]=3 108 B8R1.1 NC[C@H]1CC[C@@H](F)C1 Q52914 [0,0,0,1,0,0|2,0,1]=4 109 B8R1.1 NC[C@H]1CC[C@@H](O)C1 Q57121 [0,0,0,1,0,0|1,0,2]=4 110 B8R1.1 NC[C@H]1CC[C@H](O)C1 Q57120 [0,0,0,1,0,0|1,0,2]=4 111 B8R1.1 NC[C@H]1CNC(=O)C1 I-9497 [0,0,0,1,0,0|2,0,0]=3 112 B8R1.1 NC[C@H]1CNC(=O)C1 L13364 [0,0,0,1,0,0|2,0,0]=3 113 B8R1.1 NC[C@H]1CNC(=O)O1 L22235 [0,0,0,1,0,0|3,0,0]=4 114 B8R1.1 O=C1CC(CO)CN1 M22864 [0,0,0,1,0,0|2,0,0]=3 115 B8R1.1 O=C1CC(CO)CO1 H-8701 [0,0,0,1,0,0|2,0,0]=3 116 B8R1.1 O=C1CCC(CO)C1 Q62791 [0,0,0,1,0,0|1,0,0]=2 117 B8R1.1 O=C1CCC(CO)N1 M23573 [0,0,0,1,0,0|2,0,0]=3 118 B8R1.1 O=C1CC[C@@H](CBr)C1 Q64130 [0,0,0,1,0,0|1,0,0]=2 119 B8R1.1 O=C1CC[C@@H](CBr)N1 P36413 [0,0,0,1,0,0|2,0,0]=3 120 B8R1.1 O=C1CC[C@@H](CF)N1 Q59250 [0,0,0,1,0,0|2,0,0]=3 121 B8R1.1 O=C1CC[C@@H](CO)C1 Q62794 [0,0,0,1,0,0|1,0,0]=2 122 B8R1.1 O=C1CC[C@@H](CO)O1 K12361 [0,0,0,1,0,0|2,0,0]=3 123 B8R1.1 O=C1CC[C@H](CBr)C1 Q64129 [0,0,0,1,0,0|1,0,0]=2 124 B8R1.1 O=C1CC[C@H](CBr)N1 P34760 [0,0,0,1,0,0|2,0,0]=3 125 B8R1.1 O=C1CC[C@H](CO)C1 Q62792 [0,0,0,1,0,0|1,0,0]=2 126 B8R1.1 O=C1NCC(CO)O1 F-4693 [0,0,0,1,0,0|3,0,0]=4 127 B8R1.1 O=C1NC[C@@H](CO)O1 L13350 [0,0,0,1,0,0|3,0,0]=4 128 B8R1.1 O=C1N[C@@H](CI)CO1 10034 [0,0,0,1,0,0|3,0,0]=4 129 B8R1.1 O=C1N[C@@H](CO)CO1 10001 [0,0,0,1,0,0|3,0,0]=4 130 B8R1.1 O=C1N[C@@H](CO)CS1 K13391 [0,0,0,1,0,0|3,0,0]=4 131 B8R1.1 O=C1N[C@H](CO)CO1 10026 [0,0,0,1,0,0|3,0,0]=4 132 B8R1.1 O=C1N[C@H](CO)CS1 K13390 [0,0,0,1,0,0|3,0,0]=4 133 B8R1.1 OCC1CCC(F)C1 Q52910 [0,0,0,1,0,0|2,0,1]=4 134 B8R1.1 OC[C@@H]1CC[C@@H](F)C1 Q52912 [0,0,0,1,0,0|2,0,1]=4 135 B8R1.1 OC[C@H]1CC[C@@H](F)C1 Q52911 [0,0,0,1,0,0|2,0,1]=4 136 B8R1.4 C=C1CCOC(C)C1 Q54980 [0,0,0,1,0,0|2,0,0]=3 137 B8R1.4 CC1=CCCC(=O)C1 O32064 [0,0,0,1,0,0|0,0,2]=3 138 B8R1.4 CC1CC(=O)CCN1 D-2514 [0,0,0,1,0,0|1,0,0]=2 139 B8R1.4 CC1CC(=O)CCO1 A-836 [0,0,0,1,0,0|1,0,0]=2 140 B8R1.4 CC1CC(Br)CCO1 Q57805 [0,0,0,1,0,0|2,0,1]=4 141 B8R1.4 CC1CC(N)CCO1 A-878 [0,0,0,1,0,0|2,0,1]=4 142 B8R1.4 CC1CC(O)CCN1 G-7300 [0,0,0,1,0,0|1,0,2]=4 143 B8R1.4 CC1CC(O)CCN1 L21311 [0,0,0,1,0,0|1,0,2]=4 144 B8R1.4 CC1CC(O)CCO1 A-877 [0,0,0,1,0,0|1,0,2]=4 145 B8R1.4 CC1CCNC(=O)C1 L13355 [0,0,0,1,0,0|1,0,0]=2 146 B8R1.4 CC1CNCC(F)C1 Q54411 [0,0,0,1,0,0|2,0,1]=4 147 B8R1.4 CN1CCC=C(Br)C1 M23512 [0,0,0,1,0,0|2,0,1]=4 148 B8R1.4 CN1CCCC(N)C1 C-3293 [0,0,0,1,0,0|2,0,1]=4 149 B8R1.4 CN1CCCC(O)C1 C-3297 [0,0,0,1,0,0|1,0,2]=4 150 B8R1.4 CN1CCC[C@@H](N)C1 C-2766 [0,0,0,1,0,0|2,0,1]=4 151 B8R1.4 CN1CCC[C@@H](N)C1 I-9583 [0,0,0,1,0,0|2,0,1]=4 152 B8R1.4 CN1CCC[C@@H](O)C1 G-5242 [0,0,0,1,0,0|1,0,2]=4 153 B8R1.4 CN1CCC[C@H](N)C1 C-2767 [0,0,0,1,0,0|2,0,1]=4 154 B8R1.4 CN1CCC[C@H](N)C1 G-5241 [0,0,0,1,0,0|2,0,1]=4 155 B8R1.4 CN1CCC[C@H](O)C1 G-5243 [0,0,0,1,0,0|1,0,2]=4 156 B8R1.4 CN1CCOC(=O)C1 Q54674 [0,0,0,1,0,0|2,0,0]=3 157 B8R1.4 C[C@@H]1CC(=O)CCN1 G-7641 [0,0,0,1,0,0|1,0,0]=2 158 B8R1.4 C[C@@H]1CC(=O)CCO1 H-8404 [0,0,0,1,0,0|1,0,0]=2 159 B8R1.4 C[C@@H]1CCC[C@@H](C)N1 Q65231 [0,0,0,1,0,0|1,0,1]=3 160 B8R1.4 C[C@@H]1CCC[C@@H](C)N1 Q65232 [0,0,0,1,0,0|1,0,1]=3 161 B8R1.4 C[C@@H]1CCC[C@@H](N)C1 P49440 [0,0,0,1,0,0|1,0,1]=3 162 B8R1.4 C[C@@H]1CCC[C@@H](O)C1 P45249 [0,0,0,1,0,0|0,0,2]=3 163 B8R1.4 C[C@@H]1CCC[C@@H](O)C1 P45891 [0,0,0,1,0,0|0,0,2]=3 164 B8R1.4 C[C@@H]1CCC[C@H](N)C1 P45362 [0,0,0,1,0,0|1,0,1]=3 165 B8R1.4 C[C@@H]1CCC[C@H](N)C1 P49441 [0,0,0,1,0,0|1,0,1]=3 166 B8R1.4 C[C@@H]1CCC[C@H](O)C1 P45486 [0,0,0,1,0,0|0,0,2]=3 167 B8R1.4 C[C@@H]1CCC[C@H](O)C1 P45892 [0,0,0,1,0,0|0,0,2]=3 168 B8R1.4 C[C@@H]1CN(C)CCN1 L13059 [0,0,0,1,0,0|3,0,0]=4 169 B8R1.4 C[C@@H]1CN(C)CCN1 O33264 [0,0,0,1,0,0|3,0,0]=4 170 B8R1.4 C[C@@H]1CN(C)CCN1 P51464 [0,0,0,1,0,0|3,0,0]=4 171 B8R1.4 C[C@@H]1CNCC(=O)N1 L13903 [0,0,0,1,0,0|2,0,0]=3 172 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 10039 [0,0,0,1,0,0|2,0,1]=4 173 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 G-7092 [0,0,0,1,0,0|2,0,1]=4 174 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 I-9064 [0,0,0,1,0,0|2,0,1]=4 175 B8R1.4 C[C@@H]1COC[C@@H](C)N1 F-4699 [0,0,0,1,0,0|2,0,1]=4 176 B8R1.4 C[C@@H]1COC[C@@H](C)N1 H-8097 [0,0,0,1,0,0|2,0,1]=4 177 B8R1.4 C[C@@H]1COC[C@@H](C)N1 L21766 [0,0,0,1,0,0|2,0,1]=4 178 B8R1.4 C[C@@H]1C[C@H](F)CCN1 Q63705 [0,0,0,1,0,0|2,0,1]=4 179 B8R1.4 C[C@@H]1C[C@H](N)CCO1 Q61448 [0,0,0,1,0,0|2,0,1]=4 180 B8R1.4 C[C@@H]1C[C@H](O)CCN1 G-6431 [0,0,0,1,0,0|1,0,2]=4 181 B8R1.4 C[C@@H]1C[C@H](O)CCN1 Q56468 [0,0,0,1,0,0|1,0,2]=4 182 B8R1.4 C[C@H]1CC(=O)CCN1 G-6964 [0,0,0,1,0,0|1,0,0]=2 183 B8R1.4 C[C@H]1CC(=O)CCN1 G-7640 [0,0,0,1,0,0|1,0,0]=2 184 B8R1.4 C[C@H]1CC(=O)CCN1 Q61425 [0,0,0,1,0,0|1,0,0]=2 185 B8R1.4 C[C@H]1CC(=O)CCO1 A-837 [0,0,0,1,0,0|1,0,0]=2 186 B8R1.4 C[C@H]1CCC[C@@H](N)C1 P45360 [0,0,0,1,0,0|1,0,1]=3 187 B8R1.4 C[C@H]1CCC[C@@H](O)C1 P45893 [0,0,0,1,0,0|0,0,2]=3 188 B8R1.4 C[C@H]1CCC[C@H](C)N1 Q65229 [0,0,0,1,0,0|1,0,1]=3 189 B8R1.4 C[C@H]1CCC[C@H](C)N1 Q65230 [0,0,0,1,0,0|1,0,1]=3 190 B8R1.4 C[C@H]1CCC[C@H](N)C1 P45361 [0,0,0,1,0,0|1,0,1]=3 191 B8R1.4 C[C@H]1CCC[C@H](O)C1 P45546 [0,0,0,1,0,0|0,0,2]=3 192 B8R1.4 C[C@H]1CN(C)CCN1 O34294 [0,0,0,1,0,0|3,0,0]=4 193 B8R1.4 C[C@H]1CNCC(=O)N1 G-7098 [0,0,0,1,0,0|2,0,0]=3 194 B8R1.4 C[C@H]1CNCC(=O)N1 H-8010 [0,0,0,1,0,0|2,0,0]=3 195 B8R1.4 C[C@H]1CNC[C@@H](C)N1 G-5759 [0,0,0,1,0,0|2,0,1]=4 196 B8R1.4 C[C@H]1CNC[C@H](C)N1 G-7093 [0,0,0,1,0,0|2,0,1]=4 197 B8R1.4 C[C@H]1CNC[C@H](C)N1 K12343 [0,0,0,1,0,0|2,0,1]=4 198 B8R1.4 C[C@H]1CNC[C@H](C)O1 G-6092 [0,0,0,1,0,0|1,0,2]=4 199 B8R1.4 C[C@H]1CNC[C@H](C)O1 H-8075 [0,0,0,1,0,0|1,0,2]=4 200 B8R1.4 C[C@H]1COC[C@@H](C)N1 G-7868 [0,0,0,1,0,0|2,0,1]=4 201 B8R1.4 C[C@H]1C[C@@H](F)CCN1 Q63704 [0,0,0,1,0,0|2,0,1]=4 202 B8R1.4 C[C@H]1C[C@@H](O)CCN1 G-6430 [0,0,0,1,0,0|1,0,2]=4 203 B8R1.4 C[C@H]1C[C@@H](O)CCN1 Q56467 [0,0,0,1,0,0|1,0,2]=4 204 B8R1.4 NC1CCCC(=O)C1 P48005 [0,0,0,1,0,0|1,0,0]=2 205 B8R1.4 NC1CCCC(F)C1 P48941 [0,0,0,1,0,0|2,0,1]=4 206 B8R1.4 NC1CCCC(O)C1 F-4485 [0,0,0,1,0,0|1,0,2]=4 207 B8R1.4 NC1CCCC(O)C1 P51354 [0,0,0,1,0,0|1,0,2]=4 208 B8R1.4 NC1CCNC(=O)C1 C-2485 [0,0,0,1,0,0|2,0,0]=3 209 B8R1.4 NC1COCC(=O)C1 P46448 [0,0,0,1,0,0|2,0,0]=3 210 B8R1.4 NC1COCC(=O)C1 Q61511 [0,0,0,1,0,0|2,0,0]=3 211 B8R1.4 N[C@@H]1CCC[C@@H](N)C1 P45856 [0,0,0,1,0,0|2,0,1]=4 212 B8R1.4 N[C@@H]1CCC[C@@H](N)C1 P50869 [0,0,0,1,0,0|2,0,1]=4 213 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 L14375 [0,0,0,1,0,0|1,0,2]=4 214 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 P45284 [0,0,0,1,0,0|1,0,2]=4 215 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 P46977 [0,0,0,1,0,0|1,0,2]=4 216 B8R1.4 N[C@@H]1CCC[C@H](O)C1 P44060 [0,0,0,1,0,0|1,0,2]=4 217 B8R1.4 N[C@H]1CCC[C@@H](F)C1 P48942 [0,0,0,1,0,0|2,0,1]=4 218 B8R1.4 N[C@H]1CCC[C@@H](F)C1 P50330 [0,0,0,1,0,0|2,0,1]=4 219 B8R1.4 N[C@H]1CCC[C@@H](N)C1 L14628 [0,0,0,1,0,0|2,0,1]=4 220 B8R1.4 N[C@H]1CCC[C@@H](N)C1 P45859 [0,0,0,1,0,0|2,0,1]=4 221 B8R1.4 N[C@H]1CCC[C@@H](N)C1 P48039 [0,0,0,1,0,0|2,0,1]=4 222 B8R1.4 N[C@H]1CCC[C@@H](O)C1 K10840 [0,0,0,1,0,0|1,0,2]=4 223 B8R1.4 N[C@H]1CCC[C@@H](O)C1 P44061 [0,0,0,1,0,0|1,0,2]=4 224 B8R1.4 N[C@H]1CCC[C@@H](O)C1 P45304 [0,0,0,1,0,0|1,0,2]=4 225 B8R1.4 N[C@H]1CCC[C@H](F)C1 P46535 [0,0,0,1,0,0|2,0,1]=4 226 B8R1.4 N[C@H]1CCC[C@H](N)C1 L18352 [0,0,0,1,0,0|2,0,1]=4 227 B8R1.4 N[C@H]1CCC[C@H](O)C1 O33050 [0,0,0,1,0,0|1,0,2]=4 228 B8R1.4 N[C@H]1CCC[C@H](O)C1 P45649 [0,0,0,1,0,0|1,0,2]=4 229 B8R1.4 O=C1CC(F)CCN1 Q54422 [0,0,0,1,0,0|2,0,0]=3 230 B8R1.4 O=C1CCCC(=O)C1 P44675 [0,0,0,1,0,0|1,0,1]=3 231 B8R1.4 O=C1CCCC(Br)C1 P45384 [0,0,0,1,0,0|1,0,0]=2 232 B8R1.4 O=C1CCCC(F)C1 P43987 [0,0,0,1,0,0|1,0,0]=2 233 B8R1.4 O=C1CCCC(O)C1 L18346 [0,0,0,1,0,0|1,0,0]=2 234 B8R1.4 O=C1CCC[C@H](O)C1 P47405 [0,0,0,1,0,0|1,0,0]=2 235 B8R1.4 O=C1CCNC(=O)C1 B-1275 [0,0,0,1,0,0|2,0,1]=4 236 B8R1.4 O=C1CCOC(=O)C1 H-8796 [0,0,0,1,0,0|2,0,1]=4 237 B8R1.4 O=C1COCC(=O)C1 G-6233 [0,0,0,1,0,0|2,0,1]=4 238 B8R1.4 O=C1COCC(F)C1 Q54617 [0,0,0,1,0,0|2,0,0]=3 239 B8R1.4 O=C1COCC(O)C1 Q54616 [0,0,0,1,0,0|2,0,0]=3 240 B8R1.4 O=C1CSCC(=O)C1 O33436 [0,0,0,1,0,0|2,0,1]=4 241 B8R1.4 O=S1CCCC(Br)C1 Q57991 [0,0,0,1,0,0|2,0,0]=3 242 B8R1.6 CCCC1CC(=O)C1 P45457 [0,0,0,1,0,0|0,0,0]=1 243 B8R1.6 CCCN1CC(O)C1 P48468 [0,0,0,1,0,0|1,0,2]=4 244 B8R1.6 CCCN1CC(O)C1 P48737 [0,0,0,1,0,0|1,0,2]=4 245 B8R1.6 CCNC1CN(C)C1 G-7106 [0,0,0,1,0,0|3,0,0]=4 246 B8R1.6 CCOC1CC(=O)C1 P45782 [0,0,0,1,0,0|1,0,0]=2 247 B8R1.6 CCOC1CC(N)C1 L18168 [0,0,0,1,0,0|2,0,1]=4 248 B8R1.6 CCO[C@H]1C[C@@H](N)C1 L18169 [0,0,0,1,0,0|2,0,1]=4 249 B8R1.6 CCO[C@H]1C[C@@H](O)C1 P45783 [0,0,0,1,0,0|1,0,2]=4 250 B8R1.6 CCO[C@H]1C[C@H](N)C1 P43887 [0,0,0,1,0,0|2,0,1]=4 251 B8R1.6 CCO[C@H]1C[C@H](N)C1 P46453 [0,0,0,1,0,0|2,0,1]=4 252 B8R1.6 CCO[C@H]1C[C@H](O)C1 P45429 [0,0,0,1,0,0|1,0,2]=4 253 B8R1.6 CN1CC(CCBr)C1 P47053 [0,0,0,1,0,0|3,0,0]=4 254 B8R1.6 CN1CC(CCN)C1 L21451 [0,0,0,1,0,0|3,0,0]=4 255 B8R1.6 CN1CC(CCO)C1 C-3301 [0,0,0,1,0,0|3,0,0]=4 256 B8R1.6 CNCC1CC(O)C1 P48824 [0,0,0,1,0,0|1,0,2]=4 257 B8R1.6 CNCC1CN(C)C1 P43154 [0,0,0,1,0,0|3,0,0]=4 258 B8R1.6 CNCC1CN(C)C1 P44272 [0,0,0,1,0,0|3,0,0]=4 259 B8R1.6 COCC1CC(=O)C1 P42770 [0,0,0,1,0,0|1,0,0]=2 260 B8R1.6 COCC1CC(N)C1 O33565 [0,0,0,1,0,0|2,0,1]=4 261 B8R1.6 COC[C@H]1C[C@@H](N)C1 L14793 [0,0,0,1,0,0|2,0,1]=4 262 B8R1.6 COC[C@H]1C[C@@H](N)C1 P49871 [0,0,0,1,0,0|2,0,1]=4 263 B8R1.6 COC[C@H]1C[C@H](N)C1 P46330 [0,0,0,1,0,0|2,0,1]=4 264 B8R1.6 N#CCC1CC(=O)C1 L18034 [0,0,0,1,0,0|1,0,1]=3 265 B8R1.6 NCCC1CC(F)C1 L14517 [0,0,0,1,0,0|2,0,1]=4 266 B8R1.7 CC(=O)C1CCCN1 P37169 [0,0,0,1,0,0|1,0,0]=2 267 B8R1.7 CC(=O)C1CCCN1 Q61985 [0,0,0,1,0,0|1,0,0]=2 268 B8R1.7 CC(=O)C1CCNC1 O31491 [0,0,0,1,0,0|1,0,0]=2 269 B8R1.7 CC(=O)C1NCCS1 M15825 [0,0,0,1,0,0|2,0,0]=3 270 B8R1.7 CC(=O)[C@@H]1CCCN1 Q61986 [0,0,0,1,0,0|1,0,0]=2 271 B8R1.7 CC(=O)[C@@H]1CCCN1 Q62844 [0,0,0,1,0,0|1,0,0]=2 272 B8R1.7 CC(=O)[C@H]1CCCN1 Q62845 [0,0,0,1,0,0|1,0,0]=2 273 B8R1.7 CC(C)C1CCNC1 O33444 [0,0,0,1,0,0|2,0,1]=4 274 B8R1.7 CC(C)C1CCNC1 Q61705 [0,0,0,1,0,0|2,0,1]=4 275 B8R1.7 CC(C)[C@@H]1CCCN1 L22352 [0,0,0,1,0,0|2,0,1]=4 276 B8R1.7 CC(C)[C@@H]1CCNC1 O33128 [0,0,0,1,0,0|2,0,1]=4 277 B8R1.7 CC(C)[C@@H]1CCNC1 Q61637 [0,0,0,1,0,0|2,0,1]=4 278 B8R1.7 CC(C)[C@H]1CCCN1 Q55562 [0,0,0,1,0,0|2,0,1]=4 279 B8R1.7 CC(C)[C@H]1CCNC1 L13956 [0,0,0,1,0,0|2,0,1]=4 280 B8R1.7 CC(C)[C@H]1CCNC1 Q61626 [0,0,0,1,0,0|2,0,1]=4 281 B8R1.7 CC(N)C1CCCC1 O30449 [0,0,0,1,0,0|1,0,1]=3 282 B8R1.7 CC(N)C1CCCC1 O33618 [0,0,0,1,0,0|1,0,1]=3 283 B8R1.7 CC(O)C1CCNC1 P41560 [0,0,0,1,0,0|1,0,2]=4 284 B8R1.7 CC(O)C1CCNC1 Q59351 [0,0,0,1,0,0|1,0,2]=4 285 B8R1.7 CN(C)C1CCNC1 O28981 [0,0,0,1,0,0|3,0,0]=4 286 B8R1.7 CN(C)[C@@H]1CCNC1 P41661 [0,0,0,1,0,0|3,0,0]=4 287 B8R1.7 CN(C)[C@@H]1CCNC1 P45047 [0,0,0,1,0,0|3,0,0]=4 288 B8R1.7 CN(C)[C@H]1CCNC1 L13515 [0,0,0,1,0,0|3,0,0]=4 289 B8R1.7 CN(C)[C@H]1CCNC1 O28882 [0,0,0,1,0,0|3,0,0]=4 290 B8R1.7 C[C@H](N)C1CCCC1 Q59148 [0,0,0,1,0,0|1,0,1]=3 291 B8R1.7 C[C@H](O)C1CCCC1 Q59154 [0,0,0,1,0,0|0,0,2]=3 292 B8R1.7 NC(=O)C1CCCC1 P38833 [0,0,0,1,0,0|1,0,0]=2 293 B8R1.7 NC(=O)C1CCCN1 P39079 [0,0,0,1,0,0|2,0,0]=3 294 B8R1.7 NC(=O)C1CCCN1 P42514 [0,0,0,1,0,0|2,0,0]=3 295 B8R1.7 NC(=O)C1CCNC1 G-5260 [0,0,0,1,0,0|2,0,0]=3 296 B8R1.7 NC(=O)C1CCOC1 G-6625 [0,0,0,1,0,0|2,0,0]=3 297 B8R1.7 NC(=O)[C@@H]1CCCN1 I-9393 [0,0,0,1,0,0|2,0,0]=3 298 B8R1.7 NC(=O)[C@@H]1CCCN1 P45231 [0,0,0,1,0,0|2,0,0]=3 299 B8R1.7 NC(=O)[C@@H]1CCNC1 G-5262 [0,0,0,1,0,0|2,0,0]=3 300 B8R1.7 NC(=O)[C@@H]1CCNC1 G-7539 [0,0,0,1,0,0|2,0,0]=3 301 B8R1.7 NC(=O)[C@H]1CCNC1 G-5261 [0,0,0,1,0,0|2,0,0]=3 302 B8R1.7 NC(=O)[C@H]1CCNC1 Q51836 [0,0,0,1,0,0|2,0,0]=3 303 B8R1.7 O=C(O)C1CC=CC1 G-6381 [0,0,0,1,0,0|1,0,2]=4 304 B8R1.7 O=C(O)C1CCNC1 G-5249 [0,0,0,1,0,0|2,0,0]=3 305 B8R1.7 O=C(O)C1CCOC1 C-3386 [0,0,0,1,0,0|2,0,0]=3 306 B8R1.7 O=C(O)C1SCCS1 L19481 [0,0,0,1,0,0|3,0,0]=4 307 B8R1.7 O=C(O)[C@@H]1CCCN1 L13796 [0,0,0,1,0,0|2,0,0]=3 308 B8R1.7 O=C(O)[C@@H]1CCNC1 L18435 [0,0,0,1,0,0|2,0,0]=3 309 B8R1.7 O=C(O)[C@@H]1CCNC1 Q51834 [0,0,0,1,0,0|2,0,0]=3 310 B8R1.7 O=C(O)[C@@H]1CCOC1 C-2786 [0,0,0,1,0,0|2,0,0]=3 311 B8R1.7 O=C(O)[C@H]1CCNC1 G-5250 [0,0,0,1,0,0|2,0,0]=3 312 B8R1.7 O=C(O)[C@H]1CCNC1 P45277 [0,0,0,1,0,0|2,0,0]=3 313 B8R1.7 O=C(O)[C@H]1CCOC1 C-2785 [0,0,0,1,0,0|2,0,0]=3 314 B8R1.7 O=[N+]([O-])C1CCNC1 Q64792 [0,0,0,1,0,0|3,0,0]=4 315 B8R1.19 CC1(C)CCCC1N Q62001 [0,0,0,1,0,0|2,0,1]=4 316 B8R1.19 CC1(C)CCCC1O L20761 [0,0,0,1,0,0|2,0,1]=4 317 B8R1.19 CC1(C)CCC[C@@H]1N Q63826 [0,0,0,1,0,0|2,0,1]=4 318 B8R1.19 CC1(C)CCC[C@@H]1O Q63828 [0,0,0,1,0,0|2,0,1]=4 319 B8R1.19 CC1(C)CCC[C@H]1N Q63827 [0,0,0,1,0,0|2,0,1]=4 320 B8R1.19 CC1(C)CCC[C@H]1O Q63829 [0,0,0,1,0,0|2,0,1]=4 321 B8R1.19 CC1(F)CCCC1N Q54478 [0,0,0,1,0,0|2,0,1]=4 322 B8R1.20 CC1CC1CC(=O)O O29360 [0,0,0,1,0,0|1,0,0]=2 323 B8R1.22 BrC1CCCCCC1 P39447 [0,0,0,1,0,0|1,0,1]=3 324 B8R1.22 CC1CCNCCN1 L14127 [0,0,0,1,0,0|2,0,1]=4 325 B8R1.22 FC1CCCNCC1 L18431 [0,0,0,1,0,0|2,0,1]=4 326 B8R1.22 O=C1CCCNCC1 A-576 [0,0,0,1,0,0|1,0,0]=2 327 B8R1.22 O=C1CCNCCN1 Q52595 [0,0,0,1,0,0|2,0,0]=3 328 B8R1.22 O=C1CNCCCN1 O34379 [0,0,0,1,0,0|2,0,0]=3 329 B8R1.22 O=C1CNCCNC1 P46870 [0,0,0,1,0,0|2,0,0]=3 330 B8R1.27 CNCC1CC1(C)C P42339 [0,0,0,1,0,0|2,0,1]=4 331 B8R1.31 CC(=O)[C@@H]1CC[C@H]1C P50610 [0,0,0,1,0,0|0,0,0]=1 332 B8R1.31 CC(=O)[C@H]1CC[C@H]1C P45662 [0,0,0,1,0,0|0,0,0]=1 333 B8R1.31 CC(O)C1CCC1F P45994 [0,0,0,1,0,0|1,0,2]=4 334 B8R1.31 CC1CCC1C(=O)O P45629 [0,0,0,1,0,0|1,0,0]=2 335 B8R1.31 CC1NCC1C(=O)O L22133 [0,0,0,1,0,0|2,0,0]=3 336 B8R1.31 CN1CCC1C(=O)O P49637 [0,0,0,1,0,0|2,0,0]=3 337 B8R1.31 CN1CC[C@@H]1C(=O)O H-8820 [0,0,0,1,0,0|2,0,0]=3 338 B8R1.31 CN1CC[C@H]1C(=O)O H-8821 [0,0,0,1,0,0|2,0,0]=3 339 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O L14485 [0,0,0,1,0,0|2,0,0]=3 340 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O P50093 [0,0,0,1,0,0|2,0,0]=3 341 B8R1.31 C[C@H]1NC[C@@H]1C(=O)O K13449 [0,0,0,1,0,0|2,0,0]=3 342 B8R1.31 NC(=O)C1CCC1N F-4228 [0,0,0,1,0,0|2,0,0]=3 343 B8R1.31 NC1CCC1C(=O)O P47809 [0,0,0,1,0,0|2,0,0]=3 344 B8R1.31 NC1COC1C(=O)O Q56135 [0,0,0,1,0,0|3,0,0]=4 345 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O P45363 [0,0,0,1,0,0|2,0,0]=3 346 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O L13901 [0,0,0,1,0,0|2,0,0]=3 347 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O P44744 [0,0,0,1,0,0|2,0,0]=3 348 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O P45102 [0,0,0,1,0,0|2,0,0]=3 349 B8R1.31 N[C@@H]1CO[C@@H]1C(=O)O Q52861 [0,0,0,1,0,0|3,0,0]=4 350 B8R1.31 N[C@@H]1CO[C@H]1C(=O)O Q52863 [0,0,0,1,0,0|3,0,0]=4 351 B8R1.31 N[C@@H]1CO[C@H]1C(=O)O Q54778 [0,0,0,1,0,0|3,0,0]=4 352 B8R1.31 N[C@H]1CC[C@H]1C(=O)O L21391 [0,0,0,1,0,0|2,0,0]=3 353 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P45103 [0,0,0,1,0,0|2,0,0]=3 354 B8R1.31 N[C@H]1CC[C@H]1C(=O)O Q53487 [0,0,0,1,0,0|2,0,0]=3 355 B8R1.31 N[C@H]1CO[C@@H]1C(=O)O Q52864 [0,0,0,1,0,0|3,0,0]=4 356 B8R1.31 N[C@H]1CO[C@H]1C(=O)O Q52862 [0,0,0,1,0,0|3,0,0]=4 357 B8R1.31 N[C@H]1CO[C@H]1C(=O)O Q54777 [0,0,0,1,0,0|3,0,0]=4 358 B8R1.31 O=C(O)C1CCC1F P47126 [0,0,0,1,0,0|2,0,0]=3 359 B8R1.31 O=C(O)C1CCC1O P49194 [0,0,0,1,0,0|2,0,0]=3 360 B8R1.31 O=C(O)[C@H]1CC[C@@H]1O P48368 [0,0,0,1,0,0|2,0,0]=3 361 B8R1.34 CC(=O)C=C1CNC1 P46729 [0,0,0,1,0,0|1,0,2]=4 362 B8R1.34 CC(=O)CC1CCC1 P48892 [0,0,0,1,0,0|0,0,0]=1 363 B8R1.34 CC(=O)NC1CNC1 G-5840 [0,0,0,1,0,0|2,0,0]=3 364 B8R1.34 CC(=O)NC1CNC1 P44173 [0,0,0,1,0,0|2,0,0]=3 365 B8R1.34 CC(=O)OC1CNC1 P42388 [0,0,0,1,0,0|2,0,0]=3 366 B8R1.34 CC(=O)SC1CNC1 C-3406 [0,0,0,1,0,0|2,0,0]=3 367 B8R1.34 CC(=O)SC1CNC1 P50614 [0,0,0,1,0,0|2,0,0]=3 368 B8R1.34 CC(C)=CN1CCC1 P45148 [0,0,0,1,0,0|2,0,1]=4 369 B8R1.34 CC(C)CC1CNC1 P44917 [0,0,0,1,0,0|2,0,1]=4 370 B8R1.34 CC(C)NC1CCC1 P48786 [0,0,0,1,0,0|2,0,1]=4 371 B8R1.34 CC(C)NC1CCC1 P49134 [0,0,0,1,0,0|2,0,1]=4 372 B8R1.34 CC(O)CN1CCC1 P47869 [0,0,0,1,0,0|1,0,2]=4 373 B8R1.34 CN(C)CC1CNC1 F-4178 [0,0,0,1,0,0|3,0,0]=4 374 B8R1.34 CN(C)CC1CNC1 P45257 [0,0,0,1,0,0|3,0,0]=4 375 B8R1.34 CN(C)CC1CNC1 P45757 [0,0,0,1,0,0|3,0,0]=4 376 B8R1.34 CN(C)C[C@@H]1CCN1 P46633 [0,0,0,1,0,0|3,0,0]=4 377 B8R1.34 CN(C)C[C@H]1CCN1 P46672 [0,0,0,1,0,0|3,0,0]=4 378 B8R1.34 N=C(N)CC1CCC1 P48135 [0,0,0,1,0,0|2,0,0]=3 379 B8R1.34 NC(=O)CC1CNC1 P47102 [0,0,0,1,0,0|2,0,0]=3 380 B8R1.34 NC(=O)CC1CNC1 P48716 [0,0,0,1,0,0|2,0,0]=3 381 B8R1.34 NC(=O)NC1CCC1 P45216 [0,0,0,1,0,0|2,0,0]=3 382 B8R1.34 NC(=S)NC1CCC1 P45454 [0,0,0,1,0,0|2,1,0]=4 383 B8R1.34 O=C(O)C=C1CCC1 G-6914 [0,0,0,1,0,0|1,0,2]=4 384 B8R1.34 O=C(O)CC1CCC1 P44572 [0,0,0,1,0,0|1,0,0]=2 385 B8R1.34 O=C(O)CC1CCN1 P44826 [0,0,0,1,0,0|2,0,0]=3 386 B8R1.34 O=C(O)CC1CCO1 F-4762 [0,0,0,1,0,0|2,0,0]=3 387 B8R1.34 O=C(O)CC1CNC1 G-7532 [0,0,0,1,0,0|2,0,0]=3 388 B8R1.34 O=C(O)CC1CNC1 M22650 [0,0,0,1,0,0|2,0,0]=3 389 B8R1.34 O=C(O)CC1CNC1 P46867 [0,0,0,1,0,0|2,0,0]=3 390 B8R1.34 O=C(O)CC1COC1 F-4181 [0,0,0,1,0,0|2,0,0]=3 391 B8R1.34 O=C(O)CN1CCC1 H-8105 [0,0,0,1,0,0|2,0,0]=3 392 B8R1.34 O=C(O)C[C@@H]1CCO1 Q56144 [0,0,0,1,0,0|2,0,0]=3 393 B8R1.34 O=C(O)C[C@H]1CCO1 Q56143 [0,0,0,1,0,0|2,0,0]=3 394 B8R1.35 O=C(O)CCC1CC1 P37405 [0,0,0,1,0,0|1,0,0]=2 395 B8R1.35 O=C(O)\C=C\C1CC1 L14104 [0,0,0,1,0,0|1,0,2]=4 396 B8R1.43 N#CC1CC1C(=O)O P43783 [0,0,0,1,0,0|2,0,1]=4 397 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O L14217 [0,0,0,1,0,0|2,0,1]=4 398 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O L22404 [0,0,0,1,0,0|2,0,1]=4 399 B8R1.43 NCC1CC1C(=O)O Q52566 [0,0,0,1,0,0|2,0,0]=3 400 B8R1.48 CC1(C)CCC1CO P45354 [0,0,0,1,0,0|2,0,1]=4 401 B8R1.48 NCC1CCS1(=O)=O Q58812 [0,0,0,1,0,0|3,0,0]=4 402 B8R1.72 CC1(C)CCCCN1 Q52541 [0,0,0,1,0,0|2,0,1]=4 403 B8R1.72 CC1(C)CCNCC1 C-3355 [0,0,0,1,0,0|2,0,1]=4 404 B8R1.72 CC1(F)CCCNC1 Q54394 [0,0,0,1,0,0|2,0,1]=4 405 B8R1.72 CC1(F)CCNCC1 Q54423 [0,0,0,1,0,0|2,0,1]=4 406 B8R1.72 CC1(N)CCCOC1 H-8277 [0,0,0,1,0,0|2,0,1]=4 407 B8R1.72 CC1(N)CCCOC1 H-8277-1 [0,0,0,1,0,0|2,0,1]=4 408 B8R1.72 CC1(N)CCOCC1 G-6788 [0,0,0,1,0,0|2,0,1]=4 409 B8R1.72 CC1(N)CCOCC1 Q51895 [0,0,0,1,0,0|2,0,1]=4 410 B8R1.72 CC1(N)CCSCC1 Q61458 [0,0,0,1,0,0|2,0,1]=4 411 B8R1.72 CC1(O)CCCNC1 A-831 [0,0,0,1,0,0|1,0,2]=4 412 B8R1.72 CC1(O)CCCNC1 M22629 [0,0,0,1,0,0|1,0,2]=4 413 B8R1.72 CC1(O)CCCOC1 Q65022 [0,0,0,1,0,0|1,0,2]=4 414 B8R1.72 CC1(O)CCNCC1 A-829 [0,0,0,1,0,0|1,0,2]=4 415 B8R1.72 CC1(O)CCOCC1 P36263 [0,0,0,1,0,0|1,0,2]=4 416 B8R1.72 C[C@@]1(O)CCCNC1 Q65190 [0,0,0,1,0,0|1,0,2]=4 417 B8R1.72 C[C@]1(O)CCCNC1 P44137 [0,0,0,1,0,0|1,0,2]=4 418 B8R1.72 C[Si]1(C)CCNCC1 L21960 [0,0,0,1,0,0|2,1,0]=4 419 B8R1.72 N=S1(=O)CCNCC1 Q69962 [0,0,0,1,0,0|3,0,0]=4 420 B8R1.72 O=S1(=O)CCNCC1 G-5351 [0,0,0,1,0,0|3,0,0]=4 421 B5R0.1 CCC[C@H](C)N I-9318 [2,0,0,0,0,0|1,0,1]=4 422 B5R0.1 O=C(O)CCF A-698 [2,0,0,0,0,0|2,0,0]=4 423 B5R0.2 CCNCCCl L21040 [2,0,0,0,0,0|2,0,0]=4 424 B5R0.2 CNCCSC M23087 [2,0,0,0,0,0|2,0,0]=4 425 B5R0.2 CSCCCN P39434 [2,0,0,0,0,0|2,0,0]=4 426 B5R0.2 NCCCCS L19142 [2,0,0,0,0,0|1,1,0]=4 427 B7R0.2 CCC(=O)CC(=O)O P43007 [1,1,0,0,0,0|1,0,1]=4 428 B7R0.2 CCC(=O)CC(C)=O O31794 [1,1,0,0,0,0|0,0,1]=3 429 B7R0.2 CC[C@@H](N)CC(=O)O M23217 [1,1,0,0,0,0|1,0,0]=3 430 B7R0.2 CC[C@H](N)CC(=O)O M23203 [1,1,0,0,0,0|1,0,0]=3 431 B7R0.2 CC[C@H](N)CN(C)C Q66181 [1,1,0,0,0,0|2,0,0]=4 432 B7R0.2 NCC(O)CC(=O)O P35068 [1,1,0,0,0,0|2,0,0]=4 433 B7R0.2 N[C@@H](CO)CC(=O)O Q68983 [1,1,0,0,0,0|2,0,0]=4 434 B7R0.2 N[C@@H](CO)CC(=O)O Q68986 [1,1,0,0,0,0|2,0,0]=4 435 B7R0.2 N[C@H](CO)CC(=O)O Q68987 [1,1,0,0,0,0|2,0,0]=4 436 B7R0.2 N[C@H](CO)CC(=O)O Q68989 [1,1,0,0,0,0|2,0,0]=4 437 B7R0.3 CCCC[C@@H](N)CO P35979 [1,1,0,0,0,0|1,0,1]=4 438 B7R0.3 CCCC[C@H](N)CO P35978 [1,1,0,0,0,0|1,0,1]=4 439 B7R0.3 CCCNC(=O)CN P36648 [1,1,0,0,0,0|1,0,0]=3 440 B7R0.3 CC\C=C\C(=O)OC Q70108 [1,1,0,0,0,0|0,0,2]=4 441 B7R0.3 CNC(=O)CCCN P40550 [1,1,0,0,0,0|1,0,0]=3 442 B7R0.3 CNCCC(=O)NC P37767 [1,1,0,0,0,0|1,0,0]=3 443 B7R0.3 CNCCC(=O)OC P36826 [1,1,0,0,0,0|1,0,0]=3 444 B7R0.5 CC(=O)N(C)CCN P35211 [1,1,0,0,0,0|2,0,0]=4 445 B7R0.5 CCCC(C)C(C)N L19280 [1,1,0,0,0,0|1,0,1]=4 446 B7R0.5 CCC[C@H](O)C(=O)O P51274 [1,1,0,0,0,0|1,0,0]=3 447 B7R0.5 CCNC(C)C(=O)O P36832 [1,1,0,0,0,0|2,0,0]=4 448 B7R0.5 CCN[C@@H](C)C(=O)O P36816 [1,1,0,0,0,0|2,0,0]=4 449 B7R0.5 CCN[C@H](C)C(=O)O P35138 [1,1,0,0,0,0|2,0,0]=4 450 B7R0.5 COC[C@@H](N)C(=O)O P35719 [1,1,0,0,0,0|2,0,0]=4 451 B7R0.5 COC[C@H](N)C(=O)O P38808 [1,1,0,0,0,0|2,0,0]=4 452 B7R0.5 N[C@@H](CCBr)C(=O)O P41033 [1,1,0,0,0,0|2,0,0]=4 453 B7R0.5 N[C@@H](CCS)C(=O)O A-694 [1,1,0,0,0,0|2,0,0]=4 454 B7R0.6 CC(=O)OCC(C)O P36972 [1,1,0,0,0,0|1,0,0]=3 455 B7R0.6 CC(C)OCC(=O)O P38749 [1,1,0,0,0,0|2,0,0]=4 456 B7R0.6 O=C(O)CCC(F)F S72753 [1,1,0,0,0,0|2,0,0]=4 457 B7R0.8 CCCCS(=O)(=O)O O30093 [1,1,0,0,0,0|2,0,0]=4 458 B7R0.8 CNCCS(C)(=O)=O P39970 [1,1,0,0,0,0|2,0,0]=4 459 B7R0.1 C#CCCCCCI Q66056 [1,1,0,0,0,0|0,0,2]=4 460 B7R0.1 CCCCNCC#N P38905 [1,1,0,0,0,0|1,0,1]=4 461 B7R0.1 CCCCOCCN P36925 [1,1,0,0,0,0|1,0,1]=4 462 B7R0.1 COCCOCCN P38878 [1,1,0,0,0,0|2,0,0]=4 463 B7R0.1 O=CCCCCCCl O30105 [1,1,0,0,0,0|0,0,0]=2 464 B9R0.4 COCCN(C)CC(=O)O M23136 [0,2,0,0,0,0|2,0,0]=4 465 B9R0.4 CSCC[C@@H](N)CC(=O)O Q68976 [0,2,0,0,0,0|1,0,0]=3 466 B9R0.4 CSCC[C@@H](N)CC(=O)O Q68979 [0,2,0,0,0,0|1,0,0]=3 467 B9R0.4 CSCC[C@H](N)CC(=O)O Q69001 [0,2,0,0,0,0|1,0,0]=3 468 B9R0.6 CCOC(=O)C(Br)C(C)=O O32531 [0,2,0,0,0,0|1,0,1]=4 469 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O Q68967 [0,2,0,0,0,0|1,0,0]=3 470 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O Q68970 [0,2,0,0,0,0|1,0,0]=3 471 B9R0.34 COCC(C)NC(=O)CCl L18642 [0,2,0,0,0,0|2,0,0]=4 472 B9R0.53 CC(C)C[C@@H](N)CC(=O)O Q68973 [0,2,0,0,0,0|1,0,0]=3 473 B9R0.53 CC(C)C[C@@H](N)CC(=O)O Q68975 [0,2,0,0,0,0|1,0,0]=3 474 B9R0.53 CC(C)C[C@H](N)CC(=O)O P39532 [0,2,0,0,0,0|1,0,0]=3 475 B9R0.53 CC(C)C[C@H](N)CC(=O)O Q68972 [0,2,0,0,0,0|1,0,0]=3 476 B9R0.58 CCCS(=O)(=O)CC(C)=O O29371 [0,2,0,0,0,0|1,0,0]=3 477 B9R0.5 CCCCCC(O)CCO O28430 [0,2,0,0,0,0|0,0,2]=4 478 B9R0.5 CCCCCN(C)CCO Q66064 [0,2,0,0,0,0|1,0,1]=4 479 B9R0.5 CCCCNC(=O)CC#N P38337 [0,2,0,0,0,0|1,0,0]=3 480 B9R0.5 COCCNC(=O)CC#N P41073 [0,2,0,0,0,0|2,0,0]=4 481 B9R0.8 CCCCC(N)C(=O)OC M23165 [0,2,0,0,0,0|0,0,0]=2 482 B9R0.46 CCOCCOC(=O)CCl O30319 [0,2,0,0,0,0|1,0,0]=3 483 B9R0.46 COC(=O)CCCN=[N+]=[N-] P35568 [0,2,0,0,0,0|2,0,0]=4 484 B9R0.47 C=CCCC[C@@H](N)C(=O)O P42940 [0,2,0,0,0,0|1,0,1]=4 485 B9R0.47 C=CCCC[C@H](N)C(=O)O P40720 [0,2,0,0,0,0|1,0,1]=4 486 B9R0.47 CCCCCC(N)C(=O)O P42626 [0,2,0,0,0,0|1,0,0]=3 487 B9R0.47 CCCCC[C@@H](N)C(=O)O P38033 [0,2,0,0,0,0|1,0,0]=3 488 B9R0.47 CCCCC[C@H](N)C(=O)O P38032 [0,2,0,0,0,0|1,0,0]=3 489 B9R0.47 N[C@@H](CCCCO)C(=O)O P37153 [0,2,0,0,0,0|1,0,0]=3 490 B9R0.2 CNCCCCCC(=O)O P42203 [0,2,0,0,0,0|1,0,0]=3 491 B9R0.2 COCCOCCC(=O)O P41094 [0,2,0,0,0,0|1,0,0]=3 492 B9R0.2 O=C(O)CCCCCCBr P38930 [0,2,0,0,0,0|1,0,0]=3 493 B9R0.2 [N-]=[N+]=NCCCCC(=O)O P36012 [0,2,0,0,0,0|2,0,0]=4 494 B9R0.38 CCCCCCS(N)(=O)=O Q66039 [0,2,0,0,0,0|2,0,0]=4 495 B9R0.55 CN(C)CCCCC(=O)O P35297 [0,2,0,0,0,0|1,0,0]=3 496 B9R0.7 CC(C)CC[C@@H](N)C(=O)O P41429 [0,2,0,0,0,0|1,0,0]=3 497 B9R0.7 CC(C)CC[C@H](N)C(=O)O M22613 [0,2,0,0,0,0|1,0,0]=3 498 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O O28917 [0,2,0,0,0,0|2,0,0]=4 499 B9R0.13 CN[C@@H](CCSC)C(=O)O P38126 [0,2,0,0,0,0|2,0,0]=4 500 B9R0.13 CN[C@H](CCSC)C(=O)O P37630 [0,2,0,0,0,0|2,0,0]=4 501 B7R1.2 CC1=NC(C)CO1 M15289 [1,0,0,1,0,0|2,0,0]=4 502 B7R1.2 CC1CCC(N)C1 Q56970 [1,0,0,1,0,0|1,0,1]=4 503 B7R1.2 CC1CNC(=O)C1 L13710 [1,0,0,1,0,0|1,0,0]=3 504 B7R1.2 CC1CNC(=O)O1 P51279 [1,0,0,1,0,0|2,0,0]=4 505 B7R1.2 C[C@@H]1CC[C@@H](C)N1 O32970 [1,0,0,1,0,0|1,0,1]=4 506 B7R1.2 C[C@@H]1CC[C@@H](C)N1 Q61707 [1,0,0,1,0,0|1,0,1]=4 507 B7R1.2 C[C@@H]1CC[C@@H](C)N1 Q61742 [1,0,0,1,0,0|1,0,1]=4 508 B7R1.2 C[C@@H]1CNC(=O)C1 L22301 [1,0,0,1,0,0|1,0,0]=3 509 B7R1.2 C[C@@H]1CNC(=O)O1 P42625 [1,0,0,1,0,0|2,0,0]=4 510 B7R1.2 C[C@H]1CC[C@@H](C)N1 O32965 [1,0,0,1,0,0|1,0,1]=4 511 B7R1.2 C[C@H]1CC[C@@H](C)N1 Q61708 [1,0,0,1,0,0|1,0,1]=4 512 B7R1.2 C[C@H]1CNC(=O)C1 L18264 [1,0,0,1,0,0|1,0,0]=3 513 B7R1.2 NC1CNC(=O)C1 G-6478 [1,0,0,1,0,0|2,0,0]=4 514 B7R1.2 NC1CNC(=O)C1 L13560 [1,0,0,1,0,0|2,0,0]=4 515 B7R1.2 N[C@@H]1CNC(=O)C1 L13184 [1,0,0,1,0,0|2,0,0]=4 516 B7R1.2 N[C@@H]1CNC(=O)C1 P44245 [1,0,0,1,0,0|2,0,0]=4 517 B7R1.2 N[C@H]1CNC(=O)C1 L13183 [1,0,0,1,0,0|2,0,0]=4 518 B7R1.2 O=C1CC(O)CN1 P39299 [1,0,0,1,0,0|2,0,0]=4 519 B7R1.2 O=C1CCC(=O)C1 I-9301 [1,0,0,1,0,0|1,0,1]=4 520 B7R1.2 O=C1CCC(Br)C1 Q56972 [1,0,0,1,0,0|1,0,0]=3 521 B7R1.2 O=C1CCC(F)C1 Q55724 [1,0,0,1,0,0|1,0,0]=3 522 B7R1.2 O=C1CCC(O)C1 H-8145 [1,0,0,1,0,0|1,0,0]=3 523 B7R1.2 O=C1C[C@@H](O)CN1 M22799 [1,0,0,1,0,0|2,0,0]=4 524 B7R1.2 O=C1C[C@@H](S)CN1 I-9138 [1,0,0,1,0,0|2,0,0]=4 525 B7R1.3 BrC1=CCCCC1 N24288 [1,0,0,1,0,0|1,0,1]=4 526 B7R1.3 C=C1CCCNC1 Q59836 [1,0,0,1,0,0|2,0,0]=4 527 B7R1.3 C=C1CCCOC1 Q54979 [1,0,0,1,0,0|2,0,0]=4 528 B7R1.3 C=C1CCNCC1 H-8338 [1,0,0,1,0,0|2,0,0]=4 529 B7R1.3 C=C1CCNCC1 Q55164 [1,0,0,1,0,0|2,0,0]=4 530 B7R1.3 C=C1CCOCC1 L13714 [1,0,0,1,0,0|2,0,0]=4 531 B7R1.3 CC1=CCCNC1 I-9121 [1,0,0,1,0,0|2,0,0]=4 532 B7R1.3 CC1=CCNCC1 I-9119 [1,0,0,1,0,0|2,0,0]=4 533 B7R1.3 C[C@@H]1CCCCN1 P40572 [1,0,0,1,0,0|1,0,1]=4 534 B7R1.3 C[C@H]1CCCCN1 P38855 [1,0,0,1,0,0|1,0,1]=4 535 B7R1.3 C[C@H]1CCCCN1 Q54716 [1,0,0,1,0,0|1,0,1]=4 536 B7R1.3 O=C1CC=CCC1 Q53604 [1,0,0,1,0,0|0,0,2]=4 537 B7R1.3 O=C1CCCNC1 A-184 [1,0,0,1,0,0|1,0,0]=3 538 B7R1.3 O=C1CCCOC1 G-6070 [1,0,0,1,0,0|1,0,0]=3 539 B7R1.3 O=C1CCCSC1 G-5937 [1,0,0,1,0,0|1,0,0]=3 540 B7R1.3 O=C1CCOCC1 B-1770 [1,0,0,1,0,0|1,0,0]=3 541 B7R1.3 O=C1CCSCC1 C-2949 [1,0,0,1,0,0|1,0,0]=3 542 B7R1.3 O=C1CNCCO1 O28295 [1,0,0,1,0,0|2,0,0]=4 543 B7R1.3 O=C1COCCN1 B-1038 [1,0,0,1,0,0|2,0,0]=4 544 B7R1.3 O=C1OCCCO1 P43743 [1,0,0,1,0,0|2,0,0]=4 545 B7R1.10 C=C1CC(CBr)C1 P49895 [1,0,0,1,0,0|2,0,0]=4 546 B7R1.10 C=C1CC(CO)C1 P49896 [1,0,0,1,0,0|2,0,0]=4 547 B7R1.10 C=CC1CC(=O)C1 P45344 [1,0,0,1,0,0|0,0,2]=4 548 B7R1.10 CCC1CC(=O)C1 P44071 [1,0,0,1,0,0|0,0,0]=2 549 B7R1.10 CCC1CC(N)C1 P48761 [1,0,0,1,0,0|1,0,1]=4 550 B7R1.10 COC1CC(=O)C1 F-4668 [1,0,0,1,0,0|1,0,0]=3 551 B7R1.10 N#CC1CC(=O)C1 F-4231 [1,0,0,1,0,0|1,0,1]=4 552 B7R1.10 NCC1CC(=O)C1 C-2921 [1,0,0,1,0,0|1,0,0]=3 553 B7R1.10 O=C1CC(CBr)C1 G-6631 [1,0,0,1,0,0|1,0,0]=3 554 B7R1.10 O=C1CC(CBr)O1 Q57248 [1,0,0,1,0,0|2,0,0]=4 555 B7R1.10 O=C1CC(CCl)C1 L13121 [1,0,0,1,0,0|1,0,0]=3 556 B7R1.10 O=C1CC(CF)C1 P44872 [1,0,0,1,0,0|1,0,0]=3 557 B7R1.10 O=C1CC(CO)C1 D-2565 [1,0,0,1,0,0|1,0,0]=3 558 B7R1.10 O=C1CC(CO)N1 P45245 [1,0,0,1,0,0|2,0,0]=4 559 B7R1.10 O=C1C[C@H](CO)N1 Q53600 [1,0,0,1,0,0|2,0,0]=4 560 B7R1.12 CC1CC1C(=O)Cl O31612 [1,0,0,1,0,0|1,0,0]=3 561 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P44059 [1,0,0,1,0,0|1,0,0]=3 562 B7R1.12 C[C@@H]1C[C@H]1C(=O)O L22375 [1,0,0,1,0,0|1,0,0]=3 563 B7R1.12 C[C@H]1C[C@H]1C(=O)O O33127 [1,0,0,1,0,0|1,0,0]=3 564 B7R1.12 O=C(O)C1CC1F Q52394 [1,0,0,1,0,0|2,0,0]=4 565 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F K10809 [1,0,0,1,0,0|2,0,0]=4 566 B7R1.12 O=C(O)[C@@H]1C[C@H]1F O33126 [1,0,0,1,0,0|2,0,0]=4 567 B7R1.12 O=C(O)[C@@H]1C[C@H]1F O33327 [1,0,0,1,0,0|2,0,0]=4 568 B7R1.12 O=C(O)[C@H]1C[C@@H]1F O33229 [1,0,0,1,0,0|2,0,0]=4 569 B7R1.12 O=C(O)[C@H]1C[C@H]1F K10802 [1,0,0,1,0,0|2,0,0]=4 570 B7R1.14 CC1(N)CCCC1 Q57352 [1,0,0,1,0,0|1,0,1]=4 571 B7R1.18 CC(=O)C1CCC1 Q54751 [1,0,0,1,0,0|0,0,0]=2 572 B7R1.18 CC(=O)C1CNC1 P44065 [1,0,0,1,0,0|1,0,0]=3 573 B7R1.18 CC(=O)C1CNC1 P48871 [1,0,0,1,0,0|1,0,0]=3 574 B7R1.18 CC(=O)C1CNC1 P48872 [1,0,0,1,0,0|1,0,0]=3 575 B7R1.18 CC(=O)C1COC1 Q56096 [1,0,0,1,0,0|1,0,0]=3 576 B7R1.18 CC(=O)N1CCC1 P45596 [1,0,0,1,0,0|1,0,0]=3 577 B7R1.18 CC(N)C1CCC1 L22474 [1,0,0,1,0,0|1,0,1]=4 578 B7R1.18 CC(N)C1CCC1 P45412 [1,0,0,1,0,0|1,0,1]=4 579 B7R1.18 CC(O)C1CCC1 P45236 [1,0,0,1,0,0|0,0,2]=4 580 B7R1.18 CS(=O)C1CNC1 P40256 [1,0,0,1,0,0|2,0,0]=4 581 B7R1.18 C[C@@H](N)C1CCC1 P45187 [1,0,0,1,0,0|1,0,1]=4 582 B7R1.18 C[C@@H](N)C1CCC1 P45332 [1,0,0,1,0,0|1,0,1]=4 583 B7R1.18 C[C@H](N)C1CCC1 P48628 [1,0,0,1,0,0|1,0,1]=4 584 B7R1.18 C[C@H](O)C1CCC1 P47847 [1,0,0,1,0,0|0,0,2]=4 585 B7R1.18 N=C(N)C1CCC1 G-7205 [1,0,0,1,0,0|2,0,0]=4 586 B7R1.18 NC(=O)C1CCC1 O34470 [1,0,0,1,0,0|1,0,0]=3 587 B7R1.18 NC(=O)C1CCN1 O28301 [1,0,0,1,0,0|2,0,0]=4 588 B7R1.18 NC(=O)C1CNC1 C-2241 [1,0,0,1,0,0|2,0,0]=4 589 B7R1.18 NC(=O)C1CNC1 L21539 [1,0,0,1,0,0|2,0,0]=4 590 B7R1.18 NC(=O)N1CCC1 P45464 [1,0,0,1,0,0|2,0,0]=4 591 B7R1.18 NC(=S)C1CCC1 P47843 [1,0,0,1,0,0|1,1,0]=4 592 B7R1.18 O=C(O)C1CCN1 B-1112 [1,0,0,1,0,0|2,0,0]=4 593 B7R1.18 O=C(O)C1CCO1 D-2702 [1,0,0,1,0,0|2,0,0]=4 594 B7R1.18 O=C(O)C1CNC1 A-422 [1,0,0,1,0,0|2,0,0]=4 595 B7R1.18 O=C(O)C1CNC1 P42961 [1,0,0,1,0,0|2,0,0]=4 596 B7R1.18 O=C(O)C1COC1 A-970 [1,0,0,1,0,0|2,0,0]=4 597 B7R1.18 O=C(O)C1CSC1 H-8019 [1,0,0,1,0,0|2,0,0]=4 598 B7R1.18 O=C(O)[C@@H]1CCN1 B-1110 [1,0,0,1,0,0|2,0,0]=4 599 B7R1.18 O=C(O)[C@@H]1CCN1 P46195 [1,0,0,1,0,0|2,0,0]=4 600 B7R1.18 O=C(O)[C@@H]1CCO1 Q62698 [1,0,0,1,0,0|2,0,0]=4 601 B7R1.18 O=C(O)[C@H]1CCN1 B-1109 [1,0,0,1,0,0|2,0,0]=4 602 B7R1.18 O=C(O)[C@H]1CCN1 P45364 [1,0,0,1,0,0|2,0,0]=4 603 B7R1.18 O=C(O)[C@H]1CCO1 Q62699 [1,0,0,1,0,0|2,0,0]=4 604 B7R1.20 CC(O)CC1CC1 O29763 [1,0,0,1,0,0|0,0,2]=4 605 B7R1.20 O=C(Cl)CC1CC1 Q54347 [1,0,0,1,0,0|1,0,0]=3 606 B7R1.20 O=C(O)CC1CC1 F-4292 [1,0,0,1,0,0|1,0,0]=3 607 B7R1.20 O=C(O)CC1CO1 P45743 [1,0,0,1,0,0|2,0,0]=4 608 B7R1.1 BrCC1CCOC1 C-3388 [1,0,0,1,0,0|2,0,0]=4 609 B7R1.1 CC[C@@H]1CCNC1 L14526 [1,0,0,1,0,0|1,0,0]=3 610 B7R1.1 CC[C@H]1CCNC1 L14527 [1,0,0,1,0,0|1,0,0]=3 611 B7R1.1 CNC1CCCC1 P36274 [1,0,0,1,0,0|1,0,0]=3 612 B7R1.1 CNC1CCNC1 P41664 [1,0,0,1,0,0|2,0,0]=4 613 B7R1.1 CNC1CCOC1 I-9659 [1,0,0,1,0,0|2,0,0]=4 614 B7R1.1 CN[C@@H]1CCNC1 P41422 [1,0,0,1,0,0|2,0,0]=4 615 B7R1.1 CN[C@@H]1CCOC1 L13930 [1,0,0,1,0,0|2,0,0]=4 616 B7R1.1 CN[C@H]1CCNC1 P41423 [1,0,0,1,0,0|2,0,0]=4 617 B7R1.1 CN[C@H]1CCOC1 L13929 [1,0,0,1,0,0|2,0,0]=4 618 B7R1.1 COC1CCNC1 C-2248 [1,0,0,1,0,0|2,0,0]=4 619 B7R1.1 CO[C@@H]1CCNC1 C-2249 [1,0,0,1,0,0|2,0,0]=4 620 B7R1.1 CO[C@H]1CCNC1 C-2250 [1,0,0,1,0,0|2,0,0]=4 621 B7R1.1 CSC1CCNC1 L20011 [1,0,0,1,0,0|2,0,0]=4 622 B7R1.1 CS[C@@H]1CCNC1 Q52106 [1,0,0,1,0,0|2,0,0]=4 623 B7R1.1 CS[C@H]1CCNC1 Q52105 [1,0,0,1,0,0|2,0,0]=4 624 B7R1.1 FCC1CCNC1 L20341 [1,0,0,1,0,0|2,0,0]=4 625 B7R1.1 FC[C@@H]1CCNC1 P48130 [1,0,0,1,0,0|2,0,0]=4 626 B7R1.1 FC[C@@H]1CCNC1 Q61807 [1,0,0,1,0,0|2,0,0]=4 627 B7R1.1 FC[C@H]1CCNC1 P50376 [1,0,0,1,0,0|2,0,0]=4 628 B7R1.1 FC[C@H]1CCNC1 Q61806 [1,0,0,1,0,0|2,0,0]=4 629 B7R1.1 ICC1CCCC1 P39098 [1,0,0,1,0,0|1,0,1]=4 630 B7R1.1 ICC1CCOC1 I-9304 [1,0,0,1,0,0|2,0,0]=4 631 B7R1.1 NCC1CCCC1 F-4714 [1,0,0,1,0,0|1,0,1]=4 632 B7R1.1 NCC1CCCC1 L14012 [1,0,0,1,0,0|1,0,1]=4 633 B7R1.1 NCC1CCOC1 C-3659 [1,0,0,1,0,0|2,0,0]=4 634 B7R1.1 NCC1CCOC1 G-6767 [1,0,0,1,0,0|2,0,0]=4 635 B7R1.1 NC[C@@H]1CCOC1 C-2790 [1,0,0,1,0,0|2,0,0]=4 636 B7R1.1 NC[C@@H]1CCOC1 G-5015 [1,0,0,1,0,0|2,0,0]=4 637 B7R1.1 NC[C@H]1CCNC1 Q55433 [1,0,0,1,0,0|2,0,0]=4 638 B7R1.1 NC[C@H]1CCOC1 C-2789 [1,0,0,1,0,0|2,0,0]=4 639 B7R1.1 NC[C@H]1CCOC1 G-5014 [1,0,0,1,0,0|2,0,0]=4 640 B7R1.1 NNC1CCCC1 O31761 [1,0,0,1,0,0|2,0,0]=4 641 B7R1.1 O=CC1=CCCC1 O33977 [1,0,0,1,0,0|0,0,2]=4 642 B7R1.1 OCC1CC=CC1 G-6600 [1,0,0,1,0,0|1,0,1]=4 643 B7R1.1 OCC1CCNC1 C-2924 [1,0,0,1,0,0|2,0,0]=4 644 B7R1.1 OCC1CCNC1 L13610 [1,0,0,1,0,0|2,0,0]=4 645 B7R1.1 OCC1CCOC1 C-3387 [1,0,0,1,0,0|2,0,0]=4 646 B7R1.1 OC[C@@H]1CCNC1 G-6083 [1,0,0,1,0,0|2,0,0]=4 647 B7R1.1 OC[C@@H]1CCNC1 L13662 [1,0,0,1,0,0|2,0,0]=4 648 B7R1.1 OC[C@@H]1CCOC1 C-2787 [1,0,0,1,0,0|2,0,0]=4 649 B7R1.1 OC[C@H]1CCNC1 G-6082 [1,0,0,1,0,0|2,0,0]=4 650 B7R1.1 OC[C@H]1CCNC1 L14041 [1,0,0,1,0,0|2,0,0]=4 651 B7R1.1 OC[C@H]1CCOC1 C-2788 [1,0,0,1,0,0|2,0,0]=4 652 B7R1.4 CC1CCNC1=O O30375 [1,0,0,1,0,0|1,0,0]=3 653 B7R1.4 CC1CCNC1C Q61659 [1,0,0,1,0,0|1,0,1]=4 654 B7R1.4 CC1CNCC1C O33388 [1,0,0,1,0,0|1,0,1]=4 655 B7R1.4 CN1CCCC1=N Q59266 [1,0,0,1,0,0|2,0,0]=4 656 B7R1.4 C[C@@H]1CCC[C@@H]1N Q53279 [1,0,0,1,0,0|1,0,1]=4 657 B7R1.4 C[C@@H]1CCC[C@@H]1N Q53280 [1,0,0,1,0,0|1,0,1]=4 658 B7R1.4 C[C@@H]1CCNC1=O Q61716 [1,0,0,1,0,0|1,0,0]=3 659 B7R1.4 C[C@H]1CCC[C@@H]1N Q53277 [1,0,0,1,0,0|1,0,1]=4 660 B7R1.4 C[C@H]1CCC[C@@H]1N Q53278 [1,0,0,1,0,0|1,0,1]=4 661 B7R1.4 C[C@H]1CCNC1=O Q61658 [1,0,0,1,0,0|1,0,0]=3 662 B7R1.4 NC1CCNC1=O F-4440 [1,0,0,1,0,0|2,0,0]=4 663 B7R1.4 NN1CCCC1=O P51102 [1,0,0,1,0,0|2,0,0]=4 664 B7R1.4 N[C@@H]1CCNC1=O F-4458 [1,0,0,1,0,0|2,0,0]=4 665 B7R1.4 N[C@H]1CCNC1=O F-4459 [1,0,0,1,0,0|2,0,0]=4 666 B7R1.4 N[C@H]1CCNC1=O L14236 [1,0,0,1,0,0|2,0,0]=4 667 B7R1.4 O=C1CCCC1=O L19145 [1,0,0,1,0,0|1,0,1]=4 668 B7R1.4 O=C1CCCC1O Q61720 [1,0,0,1,0,0|1,0,0]=3 669 B7R1.4 O=C1NCCC1Br O31241 [1,0,0,1,0,0|2,0,0]=4 670 B7R1.4 O=C1NCCC1F Q62170 [1,0,0,1,0,0|2,0,0]=4 671 B7R1.4 O=C1NCCC1O D-2532 [1,0,0,1,0,0|2,0,0]=4 672 B7R1.4 O=C1NCC[C@@H]1F Q63592 [1,0,0,1,0,0|2,0,0]=4 673 B7R1.4 O=C1NCC[C@@H]1O F-4184 [1,0,0,1,0,0|2,0,0]=4 674 B7R1.4 O=C1NCC[C@H]1F Q63593 [1,0,0,1,0,0|2,0,0]=4 675 B7R1.4 O=C1NCC[C@H]1O O30124 [1,0,0,1,0,0|2,0,0]=4 676 B7R1.6 BrCCC1COC1 Q62635 [1,0,0,1,0,0|2,0,0]=4 677 B7R1.6 C=CCC1CNC1 H-8202 [1,0,0,1,0,0|1,0,1]=4 678 B7R1.6 C=CCN1CCC1 P45061 [1,0,0,1,0,0|1,0,1]=4 679 B7R1.6 CCCC1CNC1 P43152 [1,0,0,1,0,0|1,0,0]=3 680 B7R1.6 CCCC1CNC1 P44924 [1,0,0,1,0,0|1,0,0]=3 681 B7R1.6 CCNC1CCC1 P34707 [1,0,0,1,0,0|1,0,1]=4 682 B7R1.6 CCNC1CCC1 P45089 [1,0,0,1,0,0|1,0,1]=4 683 B7R1.6 CCNC1CNC1 M22745 [1,0,0,1,0,0|2,0,0]=4 684 B7R1.6 CCNC1CNC1 P45767 [1,0,0,1,0,0|2,0,0]=4 685 B7R1.6 CCNC1COC1 G-6617 [1,0,0,1,0,0|2,0,0]=4 686 B7R1.6 CCOC1CNC1 O28975 [1,0,0,1,0,0|2,0,0]=4 687 B7R1.6 CCOC1CNC1 P44497 [1,0,0,1,0,0|2,0,0]=4 688 B7R1.6 CCSC1CNC1 P46826 [1,0,0,1,0,0|2,0,0]=4 689 B7R1.6 CCSC1CNC1 P48713 [1,0,0,1,0,0|2,0,0]=4 690 B7R1.6 CNCC1CCC1 P42057 [1,0,0,1,0,0|1,0,0]=3 691 B7R1.6 CNCC1CCC1 P44415 [1,0,0,1,0,0|1,0,0]=3 692 B7R1.6 CNCC1CCO1 Q55851 [1,0,0,1,0,0|2,0,0]=4 693 B7R1.6 CNCC1CNC1 P43156 [1,0,0,1,0,0|2,0,0]=4 694 B7R1.6 CNCC1CNC1 P44879 [1,0,0,1,0,0|2,0,0]=4 695 B7R1.6 CNCC1COC1 G-7362 [1,0,0,1,0,0|2,0,0]=4 696 B7R1.6 COCC1CCN1 I-9954 [1,0,0,1,0,0|2,0,0]=4 697 B7R1.6 COCC1CCN1 Q56488 [1,0,0,1,0,0|2,0,0]=4 698 B7R1.6 COCC1CCN1 Q56489 [1,0,0,1,0,0|2,0,0]=4 699 B7R1.6 COCC1CNC1 C-2240 [1,0,0,1,0,0|2,0,0]=4 700 B7R1.6 COCC1CNC1 L13685 [1,0,0,1,0,0|2,0,0]=4 701 B7R1.6 COC[C@@H]1CCN1 G-6501 [1,0,0,1,0,0|2,0,0]=4 702 B7R1.6 COC[C@@H]1CCN1 L13813 [1,0,0,1,0,0|2,0,0]=4 703 B7R1.6 COC[C@H]1CCN1 G-7976 [1,0,0,1,0,0|2,0,0]=4 704 B7R1.6 FCCC1CNC1 P50454 [1,0,0,1,0,0|2,0,0]=4 705 B7R1.6 ICCC1COC1 Q62634 [1,0,0,1,0,0|2,0,0]=4 706 B7R1.6 N#CCC1CCC1 P38067 [1,0,0,1,0,0|1,0,1]=4 707 B7R1.6 NCCC1CCC1 L18182 [1,0,0,1,0,0|1,0,1]=4 708 B7R1.6 NCCC1CCC1 P48448 [1,0,0,1,0,0|1,0,1]=4 709 B7R1.6 NCCC1CNC1 P48388 [1,0,0,1,0,0|2,0,0]=4 710 B7R1.6 NCCC1COC1 P49100 [1,0,0,1,0,0|2,0,0]=4 711 B7R1.6 NCCC1CSC1 Q58816 [1,0,0,1,0,0|2,0,0]=4 712 B7R1.6 NNCC1CCC1 L14190 [1,0,0,1,0,0|2,0,0]=4 713 B7R1.6 O=C=NC1CCC1 P45443 [1,0,0,1,0,0|1,0,1]=4 714 B7R1.6 O=CCC1CCC1 P45355 [1,0,0,1,0,0|0,0,0]=2 715 B7R1.6 O=CCC1CCO1 Q56186 [1,0,0,1,0,0|1,0,0]=3 716 B7R1.6 O=CCN1CCC1 P47882 [1,0,0,1,0,0|1,0,0]=3 717 B7R1.6 OCCC1CCC1 P34706 [1,0,0,1,0,0|0,0,2]=4 718 B7R1.6 OCCC1CNC1 L21357 [1,0,0,1,0,0|2,0,0]=4 719 B7R1.6 OCCC1CNC1 P44027 [1,0,0,1,0,0|2,0,0]=4 720 B7R1.6 OCCC1COC1 G-5285 [1,0,0,1,0,0|2,0,0]=4 721 B7R1.6 OCCC1CSC1 Q58815 [1,0,0,1,0,0|2,0,0]=4 722 B7R1.8 CC1CCC1CO P48346 [1,0,0,1,0,0|0,0,2]=4 723 B7R1.8 CN1CCC1CN L18103 [1,0,0,1,0,0|2,0,0]=4 724 B7R1.8 CN1CCC1CN P43972 [1,0,0,1,0,0|2,0,0]=4 725 B7R1.8 CN1CCC1CO P47720 [1,0,0,1,0,0|2,0,0]=4 726 B7R1.8 CN1CC[C@@H]1CN L18105 [1,0,0,1,0,0|2,0,0]=4 727 B7R1.8 CN1CC[C@@H]1CN P43970 [1,0,0,1,0,0|2,0,0]=4 728 B7R1.8 CN1CC[C@@H]1CO P46629 [1,0,0,1,0,0|2,0,0]=4 729 B7R1.8 CN1CC[C@H]1CN L18104 [1,0,0,1,0,0|2,0,0]=4 730 B7R1.8 CN1CC[C@H]1CN P43971 [1,0,0,1,0,0|2,0,0]=4 731 B7R1.8 CN1CC[C@H]1CO P44139 [1,0,0,1,0,0|2,0,0]=4 732 B7R1.8 COC1CCC1=O P45632 [1,0,0,1,0,0|1,0,0]=3 733 B7R1.8 CO[C@@H]1CC[C@@H]1N P50889 [1,0,0,1,0,0|2,0,0]=4 734 B7R1.8 CO[C@@H]1CC[C@@H]1N P50890 [1,0,0,1,0,0|2,0,0]=4 735 B7R1.8 CO[C@@H]1CC[C@H]1N P46967 [1,0,0,1,0,0|2,0,0]=4 736 B7R1.8 CO[C@@H]1CC[C@H]1N P50886 [1,0,0,1,0,0|2,0,0]=4 737 B7R1.8 CO[C@H]1CC[C@@H]1N P50517 [1,0,0,1,0,0|2,0,0]=4 738 B7R1.8 CO[C@H]1CC[C@H]1N P50488 [1,0,0,1,0,0|2,0,0]=4 739 B7R1.8 NCC1CNC1=O P46897 [1,0,0,1,0,0|2,0,0]=4 740 B7R1.8 O=C1CCC1CO L18510 [1,0,0,1,0,0|1,0,0]=3 741 B7R1.24 C1CNCCOC1 O28784 [1,0,0,1,0,0|2,0,0]=4 742 B9R1.7 CCNC1CCN(C)C1 G-7105 [0,1,0,1,0,0|2,0,0]=4 743 B9R1.7 CN1CCC(CCN)C1 G-5346 [0,1,0,1,0,0|2,0,0]=4 744 B9R1.7 CN1CCC(CCO)C1 G-5270 [0,1,0,1,0,0|2,0,0]=4 745 B9R1.7 CN1CC[C@@H](CCO)C1 Q54911 [0,1,0,1,0,0|2,0,0]=4 746 B9R1.7 CN1CC[C@H](CCO)C1 Q54912 [0,1,0,1,0,0|2,0,0]=4 747 B9R1.13 CC(=O)NC1CCNC1 P36025 [0,1,0,1,0,0|1,0,0]=3 748 B9R1.13 CC(=O)N[C@@H]1CCNC1 L21969 [0,1,0,1,0,0|1,0,0]=3 749 B9R1.13 CC(=O)N[C@H]1CCNC1 P42553 [0,1,0,1,0,0|1,0,0]=3 750 B9R1.13 CC(=O)N[C@H]1CCNC1 Q56351 [0,1,0,1,0,0|1,0,0]=3 751 B9R1.13 CC(C)CC1CCNC1 S72560 [0,1,0,1,0,0|1,0,1]=4 752 B9R1.13 CC(N)CN1CCCC1 P37759 [0,1,0,1,0,0|1,0,1]=4 753 B9R1.13 CC(O)CC1CCCN1 Q59227 [0,1,0,1,0,0|0,0,2]=4 754 B9R1.13 CN(C)CC1CCCN1 O28921 [0,1,0,1,0,0|2,0,0]=4 755 B9R1.13 CN(C)CC1CCNC1 G-7735 [0,1,0,1,0,0|2,0,0]=4 756 B9R1.13 CN(C)CC1CCNC1 S72463 [0,1,0,1,0,0|2,0,0]=4 757 B9R1.13 CN(C)C[C@@H]1CCCN1 L22126 [0,1,0,1,0,0|2,0,0]=4 758 B9R1.13 CN(C)C[C@@H]1CCNC1 O33410 [0,1,0,1,0,0|2,0,0]=4 759 B9R1.13 CN(C)C[C@@H]1CCNC1 Q61712 [0,1,0,1,0,0|2,0,0]=4 760 B9R1.13 CN(C)C[C@H]1CCCN1 I-9768 [0,1,0,1,0,0|2,0,0]=4 761 B9R1.13 CN(C)C[C@H]1CCNC1 O33414 [0,1,0,1,0,0|2,0,0]=4 762 B9R1.13 CN(C)C[C@H]1CCNC1 Q61711 [0,1,0,1,0,0|2,0,0]=4 763 B9R1.13 NC(=O)CC1CCCN1 Q61611 [0,1,0,1,0,0|1,0,0]=3 764 B9R1.13 NC(=O)CC1CCCN1 Q61612 [0,1,0,1,0,0|1,0,0]=3 765 B9R1.13 NC(=O)CC1CCNC1 Q57405 [0,1,0,1,0,0|1,0,0]=3 766 B9R1.13 NC(=O)CC1CCNC1 Q57406 [0,1,0,1,0,0|1,0,0]=3 767 B9R1.13 O=C(Cl)CC1CCCO1 L21210 [0,1,0,1,0,0|1,0,0]=3 768 B9R1.13 O=C(Cl)OC1CCOC1 L19890 [0,1,0,1,0,0|2,0,0]=4 769 B9R1.13 O=C(O)CC1CCCN1 P36438 [0,1,0,1,0,0|1,0,0]=3 770 B9R1.13 O=C(O)CC1CCCN1 P51099 [0,1,0,1,0,0|1,0,0]=3 771 B9R1.13 O=C(O)CC1CCNC1 G-6773 [0,1,0,1,0,0|1,0,0]=3 772 B9R1.13 O=C(O)CC1CCNC1 M22656 [0,1,0,1,0,0|1,0,0]=3 773 B9R1.13 O=C(O)CC1CCOC1 A-556 [0,1,0,1,0,0|1,0,0]=3 774 B9R1.13 O=C(O)CN1CCCC1 10114 [0,1,0,1,0,0|1,0,0]=3 775 B9R1.13 O=C(O)C[C@@H]1CCCN1 P37561 [0,1,0,1,0,0|1,0,0]=3 776 B9R1.13 O=C(O)C[C@@H]1CCCN1 Q68982 [0,1,0,1,0,0|1,0,0]=3 777 B9R1.13 O=C(O)C[C@@H]1CCNC1 L21906 [0,1,0,1,0,0|1,0,0]=3 778 B9R1.13 O=C(O)C[C@H]1CCCN1 P38072 [0,1,0,1,0,0|1,0,0]=3 779 B9R1.13 O=C(O)C[C@H]1CCCN1 P51185 [0,1,0,1,0,0|1,0,0]=3 780 B9R1.13 O=C(O)C[C@H]1CCOC1 Q55020 [0,1,0,1,0,0|1,0,0]=3 781 B9R1.22 CCC1CN(C)CC1N Q59350 [0,1,0,1,0,0|2,0,0]=4 782 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 L22312 [0,1,0,1,0,0|2,0,0]=4 783 B9R1.34 CC1CC(=O)CC(=O)N1 O29819 [0,1,0,1,0,0|1,0,1]=4 784 B9R1.34 CC1CC(=O)CC(=O)O1 H-8797 [0,1,0,1,0,0|1,0,1]=4 785 B9R1.34 CC1CC(=O)CC(C)N1 O29876 [0,1,0,1,0,0|1,0,0]=3 786 B9R1.34 CC1CC(=O)CC(C)O1 F-4696 [0,1,0,1,0,0|1,0,0]=3 787 B9R1.34 CC1CC(Br)CC(C)O1 Q57698 [0,1,0,1,0,0|0,0,2]=4 788 B9R1.34 CC1CC(N)CC(C)O1 Q54459 [0,1,0,1,0,0|0,0,2]=4 789 B9R1.34 C[C@@H]1CC(=O)C[C@@H](C)O1 Q55059 [0,1,0,1,0,0|1,0,0]=3 790 B9R1.34 C[C@@H]1CC(=O)C[C@@H](C)O1 Q55809 [0,1,0,1,0,0|1,0,0]=3 791 B9R1.34 C[C@@H]1C[C@H](O)C[C@H](C)C1 P45201 [0,1,0,1,0,0|0,0,2]=4 792 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 L13865 [0,1,0,1,0,0|1,0,0]=3 793 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 Q55528 [0,1,0,1,0,0|1,0,0]=3 794 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 L14381 [0,1,0,1,0,0|1,0,0]=3 795 B9R1.34 C[C@H]1CC(=O)C[C@H](C)O1 Q55060 [0,1,0,1,0,0|1,0,0]=3 796 B9R1.34 C[C@H]1CC(Br)C[C@@H](C)O1 Q57870 [0,1,0,1,0,0|0,0,2]=4 797 B9R1.34 C[C@H]1CC(N)C[C@@H](C)O1 Q61447 [0,1,0,1,0,0|0,0,2]=4 798 B9R1.34 C[C@H]1CC(O)C[C@H](C)N1 Q61338 [0,1,0,1,0,0|1,0,1]=4 799 B9R1.34 C[C@H]1C[C@@H](O)C[C@@H](C)N1 Q61337 [0,1,0,1,0,0|1,0,1]=4 800 B9R1.41 CC1CCNC1C(=O)O Q57359 [0,1,0,1,0,0|1,0,0]=3 801 B9R1.41 CC1CCNC1C(=O)O Q57360 [0,1,0,1,0,0|1,0,0]=3 802 B9R1.41 CC1CNCC1C(=O)O Q59247 [0,1,0,1,0,0|1,0,0]=3 803 B9R1.41 CC1CNCC1N(C)C Q59260 [0,1,0,1,0,0|2,0,0]=4 804 B9R1.41 CC1NCCC1N(C)C Q61596 [0,1,0,1,0,0|2,0,0]=4 805 B9R1.41 CN(C)[C@@H]1CCCN1C G-7886 [0,1,0,1,0,0|2,0,0]=4 806 B9R1.41 CN(C)[C@@H]1CCC[C@@H]1O K10850 [0,1,0,1,0,0|2,0,0]=4 807 B9R1.41 CN1CCCC1C(=O)O M22685 [0,1,0,1,0,0|1,0,0]=3 808 B9R1.41 CN1CCC[C@@H]1C(=O)O P36536 [0,1,0,1,0,0|1,0,0]=3 809 B9R1.41 CN1CCC[C@@H]1C(=O)O P37259 [0,1,0,1,0,0|1,0,0]=3 810 B9R1.41 CN1CCC[C@H]1C(=O)O I-9166 [0,1,0,1,0,0|1,0,0]=3 811 B9R1.41 CN1CCC[C@H]1C(=O)O O28625 [0,1,0,1,0,0|1,0,0]=3 812 B9R1.41 CN1CCC[C@H]1C(=O)O P37937 [0,1,0,1,0,0|1,0,0]=3 813 B9R1.41 C[C@@H]1NCC[C@H]1N(C)C Q61597 [0,1,0,1,0,0|2,0,0]=4 814 B9R1.41 C[C@@H]1NCC[C@H]1N(C)C Q61598 [0,1,0,1,0,0|2,0,0]=4 815 B9R1.41 C[C@H]1CNC[C@@H]1C(=O)O Q62191 [0,1,0,1,0,0|1,0,0]=3 816 B9R1.41 C[C@H]1CNC[C@@H]1N(C)C Q61829 [0,1,0,1,0,0|2,0,0]=4 817 B9R1.41 C[C@H]1NCC[C@H]1N(C)C Q61599 [0,1,0,1,0,0|2,0,0]=4 818 B9R1.41 C[C@H]1NCC[C@H]1N(C)C Q61600 [0,1,0,1,0,0|2,0,0]=4 819 B9R1.41 NC(=O)C1CCCC1N Q59162 [0,1,0,1,0,0|1,0,0]=3 820 B9R1.41 NC(=O)[C@H]1NCC[C@@H]1O O32797 [0,1,0,1,0,0|2,0,0]=4 821 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O Q61718 [0,1,0,1,0,0|1,0,0]=3 822 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O H-8160 [0,1,0,1,0,0|1,0,0]=3 823 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O Q61730 [0,1,0,1,0,0|1,0,0]=3 824 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O Q61731 [0,1,0,1,0,0|1,0,0]=3 825 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O H-8161 [0,1,0,1,0,0|1,0,0]=3 826 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O F-4802 [0,1,0,1,0,0|1,0,0]=3 827 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O Q52546 [0,1,0,1,0,0|1,0,0]=3 828 B9R1.41 O=C(O)C1CCCC1O Q59153 [0,1,0,1,0,0|1,0,0]=3 829 B9R1.41 O=C(O)C1CNCC1O H-8825 [0,1,0,1,0,0|2,0,0]=4 830 B9R1.41 O=C(O)C1NCCC1F Q59330 [0,1,0,1,0,0|2,0,0]=4 831 B9R1.41 O=C(O)C1NCC[C@@H]1O F-4332 [0,1,0,1,0,0|2,0,0]=4 832 B9R1.41 O=C(O)[C@@H]1CCC[C@@H]1F Q63425 [0,1,0,1,0,0|1,0,0]=3 833 B9R1.41 O=C(O)[C@@H]1CCC[C@@H]1O Q63421 [0,1,0,1,0,0|1,0,0]=3 834 B9R1.41 O=C(O)[C@@H]1CCC[C@H]1F Q63426 [0,1,0,1,0,0|1,0,0]=3 835 B9R1.41 O=C(O)[C@@H]1CCC[C@H]1O Q63422 [0,1,0,1,0,0|1,0,0]=3 836 B9R1.41 O=C(O)[C@@H]1CNC[C@@H]1O H-8824 [0,1,0,1,0,0|2,0,0]=4 837 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1F Q64264 [0,1,0,1,0,0|2,0,0]=4 838 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O I-9988 [0,1,0,1,0,0|2,0,0]=4 839 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O L14329 [0,1,0,1,0,0|2,0,0]=4 840 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O L22341 [0,1,0,1,0,0|2,0,0]=4 841 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F Q64265 [0,1,0,1,0,0|2,0,0]=4 842 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O F-4333 [0,1,0,1,0,0|2,0,0]=4 843 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O L13193 [0,1,0,1,0,0|2,0,0]=4 844 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O Q54350 [0,1,0,1,0,0|2,0,0]=4 845 B9R1.41 O=C(O)[C@H]1CCC[C@@H]1F Q63427 [0,1,0,1,0,0|1,0,0]=3 846 B9R1.41 O=C(O)[C@H]1CCC[C@@H]1O Q63423 [0,1,0,1,0,0|1,0,0]=3 847 B9R1.41 O=C(O)[C@H]1CCC[C@H]1F Q63424 [0,1,0,1,0,0|1,0,0]=3 848 B9R1.41 O=C(O)[C@H]1CCC[C@H]1O Q63420 [0,1,0,1,0,0|1,0,0]=3 849 B9R1.41 O=C(O)[C@H]1CNC[C@@H]1O H-8823 [0,1,0,1,0,0|2,0,0]=4 850 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F Q64266 [0,1,0,1,0,0|2,0,0]=4 851 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F Q64267 [0,1,0,1,0,0|2,0,0]=4 852 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O I-9959 [0,1,0,1,0,0|2,0,0]=4 853 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O L21735 [0,1,0,1,0,0|2,0,0]=4 854 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F Q64263 [0,1,0,1,0,0|2,0,0]=4 855 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O L22366 [0,1,0,1,0,0|2,0,0]=4 856 B9R1.48 CC1CC(=O)NCCN1 G-6003 [0,1,0,1,0,0|1,0,0]=3 857 B9R1.48 NC1CCCNC(=O)C1 S72677 [0,1,0,1,0,0|1,0,0]=3 858 B9R1.48 O=C1CCCNC(=O)C1 M15285 [0,1,0,1,0,0|1,0,1]=4 859 B9R1.52 CC1CN(C)[C@@H]1C(=O)O L14533 [0,1,0,1,0,0|2,0,0]=4 860 B9R1.53 C=C1CC(OC(C)=O)C1 P46928 [0,1,0,1,0,0|1,0,1]=4 861 B9R1.53 CC(=O)NC1CC(N)C1 L14306 [0,1,0,1,0,0|1,0,0]=3 862 B9R1.53 CC(=O)NC1CC(N)C1 P49715 [0,1,0,1,0,0|1,0,0]=3 863 B9R1.53 CC(=O)OC1CC(=O)C1 G-6514 [0,1,0,1,0,0|1,0,1]=4 864 B9R1.53 CC(=O)O[C@H]1C[C@@H](O)C1 P47617 [0,1,0,1,0,0|1,0,0]=3 865 B9R1.53 CC(=O)O[C@H]1C[C@H](O)C1 P47529 [0,1,0,1,0,0|1,0,0]=3 866 B9R1.53 CC(=O)SC1CC(F)C1 P46793 [0,1,0,1,0,0|1,0,0]=3 867 B9R1.53 CC1CC(CC(=O)O)C1 P49313 [0,1,0,1,0,0|1,0,0]=3 868 B9R1.53 CC1CN(CC(=O)O)C1 P47055 [0,1,0,1,0,0|2,0,0]=4 869 B9R1.53 CC1CN(CC(=O)O)C1 P47914 [0,1,0,1,0,0|2,0,0]=4 870 B9R1.53 CN1CC(CC(=O)O)C1 P48710 [0,1,0,1,0,0|2,0,0]=4 871 B9R1.53 NC1CC(CC(=O)O)C1 I-9459 [0,1,0,1,0,0|1,0,0]=3 872 B9R1.53 NC1CC(CC(=O)O)C1 Q56497 [0,1,0,1,0,0|1,0,0]=3 873 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 G-7331 [0,1,0,1,0,0|1,0,0]=3 874 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 G-7981 [0,1,0,1,0,0|1,0,0]=3 875 B9R1.53 N[C@H]1C[C@H](CC(=O)O)C1 G-7332 [0,1,0,1,0,0|1,0,0]=3 876 B9R1.53 O=C(O)CC1CC(=O)C1 L14792 [0,1,0,1,0,0|1,0,1]=4 877 B9R1.53 O=C(O)CC1CC(F)C1 P47187 [0,1,0,1,0,0|1,0,0]=3 878 B9R1.53 O=C(O)C[C@H]1C[C@@H](O)C1 P46932 [0,1,0,1,0,0|1,0,0]=3 879 B9R1.53 O=C(O)C[C@H]1C[C@H](O)C1 P46934 [0,1,0,1,0,0|1,0,0]=3 880 B9R1.66 C=C1CCOC(C)(C)C1 Q54981 [0,1,0,1,0,0|2,0,0]=4 881 B9R1.66 CC1(C)CC(=O)CCN1 O34587 [0,1,0,1,0,0|1,0,0]=3 882 B9R1.66 CC1(C)CC(=O)CCO1 F-4698 [0,1,0,1,0,0|1,0,0]=3 883 B9R1.66 CC1(C)CCCC(N)C1 P44411 [0,1,0,1,0,0|1,0,1]=4 884 B9R1.66 CC1(C)CCCC(N)C1 Q52202 [0,1,0,1,0,0|1,0,1]=4 885 B9R1.66 CC1(C)CCC[C@@H](N)C1 P44800 [0,1,0,1,0,0|1,0,1]=4 886 B9R1.66 CC1(C)CCC[C@H](N)C1 P44801 [0,1,0,1,0,0|1,0,1]=4 887 B9R1.66 CC1(C)COCC(=O)C1 Q61431 [0,1,0,1,0,0|1,0,0]=3 888 B9R1.66 CN1CCCC(C)(N)C1 H-8147 [0,1,0,1,0,0|2,0,0]=4 889 B9R1.66 NC1CCCS(=O)(=O)C1 Q54882 [0,1,0,1,0,0|2,0,0]=4 890 B9R1.66 O=C1CC(F)(F)CCN1 Q63587 [0,1,0,1,0,0|2,0,0]=4 891 B9R1.66 O=S1(=O)CCCC(Br)C1 Q57963 [0,1,0,1,0,0|2,0,0]=4 892 B9R1.66 O=S1(=O)CCCC(O)C1 Q57891 [0,1,0,1,0,0|2,0,0]=4 893 B9R1.86 CCC1CC1CC(=O)O O32172 [0,1,0,1,0,0|1,0,0]=3 894 B9R1.136 NCCC1CS(=O)(=O)C1 Q58809 [0,1,0,1,0,0|2,0,0]=4 895 B9R1.136 O=S1(=O)CC(CCBr)C1 Q58813 [0,1,0,1,0,0|2,0,0]=4 896 B9R1.137 NC(CC(=O)O)C1CC1 P38780 [0,1,0,1,0,0|1,0,0]=3 897 B9R1.137 O=C(O)CC(=O)C1CC1 F-4421 [0,1,0,1,0,0|1,0,1]=4 898 B9R1.171 CC(=O)CC1(O)CCC1 P46719 [0,1,0,1,0,0|0,0,0]=2 899 B9R1.171 CC(=O)CC1(O)COC1 Q55873 [0,1,0,1,0,0|1,0,0]=3 900 B9R1.171 CC(O)CC1(O)CCC1 P46731 [0,1,0,1,0,0|0,0,2]=4 901 B9R1.171 CC1(CC(=O)O)CCC1 P43813 [0,1,0,1,0,0|1,0,0]=3 902 B9R1.171 NC(=O)CC1(N)CCC1 P48446 [0,1,0,1,0,0|1,0,0]=3 903 B9R1.171 NC(=O)CC1(N)CCC1 P48456 [0,1,0,1,0,0|1,0,0]=3 904 B9R1.171 NC1(CC(=O)O)CCC1 O33409 [0,1,0,1,0,0|1,0,0]=3 905 B9R1.171 NC1(CC(=O)O)CCC1 P41637 [0,1,0,1,0,0|1,0,0]=3 906 B9R1.171 NC1(CC(=O)O)COC1 Q56681 [0,1,0,1,0,0|2,0,0]=4 907 B9R1.171 O=C(O)CC1(F)COC1 Q64401 [0,1,0,1,0,0|2,0,0]=4 908 B9R1.171 O=C(O)CC1(O)CCC1 P44813 [0,1,0,1,0,0|1,0,0]=3 909 B9R1.171 O=C(O)CC1(O)COC1 Q55874 [0,1,0,1,0,0|2,0,0]=4 910 B9R1.171 O=[N+]([O-])CC1(O)CCC1 P44003 [0,1,0,1,0,0|2,0,0]=4 911 B9R1.177 CC1(CC#N)CC(=O)C1 P47757 [0,1,0,1,0,0|1,0,1]=4 912 B9R1.1 C#CC1CCC(=O)CC1 Q53472 [0,1,0,1,0,0|0,0,2]=4 913 B9R1.1 CCC1CCC(Br)CC1 Q59703 [0,1,0,1,0,0|1,0,1]=4 914 B9R1.1 CNC1CCC(=O)CC1 P41929 [0,1,0,1,0,0|1,0,0]=3 915 B9R1.1 CNC1CCS(=O)CC1 Q57925 [0,1,0,1,0,0|2,0,0]=4 916 B9R1.1 CNC1CCS(=O)CC1 Q57926 [0,1,0,1,0,0|2,0,0]=4 917 B9R1.1 COC1CCC(=O)CC1 P34719 [0,1,0,1,0,0|1,0,0]=3 918 B9R1.1 N#CC1CCC(=O)CC1 O33986 [0,1,0,1,0,0|1,0,1]=4 919 B9R1.1 NCC1CCC(=O)NC1 F-4482 [0,1,0,1,0,0|1,0,0]=3 920 B9R1.1 O=C1CCC(CBr)CN1 L20956 [0,1,0,1,0,0|1,0,0]=3 921 B9R1.1 O=C1CCC(CO)CC1 O32541 [0,1,0,1,0,0|1,0,0]=3 922 B9R1.1 O=C1CCC(CO)CN1 H-8442 [0,1,0,1,0,0|1,0,0]=3 923 B9R1.1 O=C1CO[C@@H](CO)CN1 Q65251 [0,1,0,1,0,0|2,0,0]=4 924 B9R1.1 O=C1CO[C@H](CO)CN1 Q65252 [0,1,0,1,0,0|2,0,0]=4 925 B9R1.2 C=CC1CCCC(=O)C1 P47289 [0,1,0,1,0,0|0,0,1]=3 926 B9R1.2 CC1CCCC(C=O)C1 Q59550 [0,1,0,1,0,0|0,0,1]=3 927 B9R1.2 CC1CCCC(CBr)C1 Q59544 [0,1,0,1,0,0|1,0,1]=4 928 B9R1.2 CC1CCCC(CO)C1 Q59549 [0,1,0,1,0,0|0,0,2]=4 929 B9R1.2 CC1CCCC(CO)N1 F-4721 [0,1,0,1,0,0|1,0,1]=4 930 B9R1.2 CC1CCCC(NN)C1 L20937 [0,1,0,1,0,0|1,0,1]=4 931 B9R1.2 CC1CCCC(NN)C1 Q59504 [0,1,0,1,0,0|1,0,1]=4 932 B9R1.2 CCC1CC(=O)CCO1 10650 [0,1,0,1,0,0|0,0,0]=2 933 B9R1.2 CCC1CC(N)CCO1 Q57607 [0,1,0,1,0,0|1,0,1]=4 934 B9R1.2 CCC1CC(O)CCO1 Q57706 [0,1,0,1,0,0|0,0,2]=4 935 B9R1.2 CCN1CCCC(N)C1 P36640 [0,1,0,1,0,0|1,0,1]=4 936 B9R1.2 CCN1CCNC(=O)C1 L21411 [0,1,0,1,0,0|1,0,0]=3 937 B9R1.2 CN1CCCC(C=O)C1 S72464 [0,1,0,1,0,0|1,0,1]=4 938 B9R1.2 CN1CCCC(CN)C1 C-2762 [0,1,0,1,0,0|2,0,0]=4 939 B9R1.2 CN1CCC[C@@H](CN)C1 G-5005 [0,1,0,1,0,0|2,0,0]=4 940 B9R1.2 CN1CCC[C@@H](CN)C1 G-5267 [0,1,0,1,0,0|2,0,0]=4 941 B9R1.2 CN1CCC[C@@H](CO)C1 L14188 [0,1,0,1,0,0|2,0,0]=4 942 B9R1.2 CN1CCC[C@H](CN)C1 G-5006 [0,1,0,1,0,0|2,0,0]=4 943 B9R1.2 CN1CCC[C@H](CN)C1 Q51837 [0,1,0,1,0,0|2,0,0]=4 944 B9R1.2 CN1CCC[C@H](CO)C1 Q54917 [0,1,0,1,0,0|2,0,0]=4 945 B9R1.2 COC1CCCC(=O)C1 P44206 [0,1,0,1,0,0|0,0,0]=2 946 B9R1.2 COC1CCCC(O)C1 L21478 [0,1,0,1,0,0|0,0,2]=4 947 B9R1.2 CO[C@@H]1CCC[C@@H](N)C1 P49873 [0,1,0,1,0,0|1,0,1]=4 948 B9R1.2 CO[C@@H]1CCC[C@@H](O)C1 P46941 [0,1,0,1,0,0|0,0,2]=4 949 B9R1.2 CO[C@@H]1CCC[C@H](O)C1 P46930 [0,1,0,1,0,0|0,0,2]=4 950 B9R1.2 CO[C@@H]1CCC[C@H](O)C1 P47713 [0,1,0,1,0,0|0,0,2]=4 951 B9R1.2 CO[C@H]1CCC[C@@H](O)C1 P46929 [0,1,0,1,0,0|0,0,2]=4 952 B9R1.2 CO[C@H]1CCC[C@H](O)C1 P45107 [0,1,0,1,0,0|0,0,2]=4 953 B9R1.2 CO[C@H]1CCC[C@H](O)C1 P46656 [0,1,0,1,0,0|0,0,2]=4 954 B9R1.2 C[C@H]1CCOC(C=O)C1 Q57858 [0,1,0,1,0,0|1,0,1]=4 955 B9R1.2 NCC1CCCC(=O)N1 Q65073 [0,1,0,1,0,0|1,0,0]=3 956 B9R1.2 NCC1CCCC(O)C1 P49691 [0,1,0,1,0,0|0,0,2]=4 957 B9R1.2 NCC1CCNC(=O)C1 C-3610 [0,1,0,1,0,0|1,0,0]=3 958 B9R1.2 NCC1CCNC(=O)C1 Q51820 [0,1,0,1,0,0|1,0,0]=3 959 B9R1.2 N[C@@H]1CCC[C@@H](CO)C1 P48428 [0,1,0,1,0,0|1,0,1]=4 960 B9R1.2 O=C1CC(CO)CCN1 C-3400 [0,1,0,1,0,0|1,0,0]=3 961 B9R1.2 O=C1CCCC(CCl)N1 Q59897 [0,1,0,1,0,0|1,0,0]=3 962 B9R1.2 O=C1CCCC(CO)N1 10055 [0,1,0,1,0,0|1,0,0]=3 963 B9R1.2 O=C1CCC[C@H](CO)N1 Q65248 [0,1,0,1,0,0|1,0,0]=3 964 B9R1.2 O=C1CCOC(CO)C1 Q54642 [0,1,0,1,0,0|1,0,0]=3 965 B9R1.3 CC1CCCC(=O)C1C Q59611 [0,1,0,1,0,0|0,0,0]=2 966 B9R1.3 CC1CCCC(C)C1N P44629 [0,1,0,1,0,0|1,0,1]=4 967 B9R1.3 CN1CCCC(Br)C1=O Q59933 [0,1,0,1,0,0|2,0,0]=4 968 B9R1.3 CN1CCCC(N)C1=O G-7295 [0,1,0,1,0,0|2,0,0]=4 969 B9R1.3 CN1CCCC(N)C1=O Q56451 [0,1,0,1,0,0|2,0,0]=4 970 B9R1.3 CN1CCC[C@@H](N)C1=O Q63634 [0,1,0,1,0,0|2,0,0]=4 971 B9R1.3 CN1CCC[C@H](N)C1=O P51619 [0,1,0,1,0,0|2,0,0]=4 972 B9R1.3 CN1CCC[C@H](N)C1=O Q63633 [0,1,0,1,0,0|2,0,0]=4 973 B9R1.3 C[C@@H]1CNCC(=O)N1C K13421 [0,1,0,1,0,0|1,0,0]=3 974 B9R1.3 O=C1CCCC(Br)C1=O P45897 [0,1,0,1,0,0|1,0,1]=4 975 B9R1.5 CN1CCCNCC1=O G-7681 [0,1,0,1,0,0|1,0,0]=3 976 B9R1.5 CN1CCCNCC1=O O34334 [0,1,0,1,0,0|1,0,0]=3 977 B9R1.5 N[C@@H]1CCCCNC1=O O34511 [0,1,0,1,0,0|1,0,0]=3 978 B9R1.5 N[C@H]1CCCCNC1=O F-4004 [0,1,0,1,0,0|1,0,0]=3 979 B9R1.5 N[C@H]1CCCCNC1=O O34512 [0,1,0,1,0,0|1,0,0]=3 980 B9R1.11 C#CC(=O)N1CCCC1 L19199 [0,1,0,1,0,0|1,0,1]=4 981 B9R1.11 CNC(=O)C1CCCN1 O28788 [0,1,0,1,0,0|1,0,0]=3 982 B9R1.11 CNC(=O)C1CCNC1 O28288 [0,1,0,1,0,0|1,0,0]=3 983 B9R1.11 CNC(=O)[C@@H]1CCCN1 P38764 [0,1,0,1,0,0|1,0,0]=3 984 B9R1.11 CNC(=O)[C@H]1CCCN1 O28766 [0,1,0,1,0,0|1,0,0]=3 985 B9R1.11 COC(=O)C1CCNC1 G-5251 [0,1,0,1,0,0|1,0,0]=3 986 B9R1.11 COC(=O)C1CCOC1 G-5350 [0,1,0,1,0,0|1,0,0]=3 987 B9R1.11 COC(=O)[C@@H]1CCNC1 G-5253 [0,1,0,1,0,0|1,0,0]=3 988 B9R1.11 COC(=O)[C@@H]1CCNC1 L13624 [0,1,0,1,0,0|1,0,0]=3 989 B9R1.11 COC(=O)[C@@H]1CCOC1 I-9185 [0,1,0,1,0,0|1,0,0]=3 990 B9R1.11 COC(=O)[C@H]1CCNC1 G-5252 [0,1,0,1,0,0|1,0,0]=3 991 B9R1.11 COC(=O)[C@H]1CCNC1 G-6750 [0,1,0,1,0,0|1,0,0]=3 992 B9R1.11 COC(=O)[C@H]1CCOC1 L18447 [0,1,0,1,0,0|1,0,0]=3 993 B9R1.11 NCC(=O)C1CCCC1 L19802 [0,1,0,1,0,0|0,0,0]=2 994 B9R1.11 NCC(=O)N1CCCC1 10067 [0,1,0,1,0,0|1,0,0]=3 995 B9R1.11 NCC(=O)N1CCCC1 P38567 [0,1,0,1,0,0|1,0,0]=3 996 B9R1.11 O=C(NO)C1CCCN1 Q59359 [0,1,0,1,0,0|2,0,0]=4 997 B9R1.17 CCCCCC1CNC1 P48481 [0,1,0,1,0,0|1,0,1]=4 998 B9R1.17 CCCCCC1CNC1 P48482 [0,1,0,1,0,0|1,0,1]=4 999 B9R1.49 CN1CCCC(N)CC1 C-2203 [0,1,0,1,0,0|2,0,0]=4 1000 B9R1.49 CN1CCNC(=O)CC1 O34314 [0,1,0,1,0,0|2,0,0]=4 1001 B9R1.58 CCOC1CC(C=O)C1 P47364 [0,1,0,1,0,0|1,0,1]=4 1002 B9R1.79 CCC(=O)NC1CNC1 P47079 [0,1,0,1,0,0|2,0,0]=4 1003 B9R1.79 CNC(=O)NC1CNC1 P47041 [0,1,0,1,0,0|2,0,0]=4 1004 B9R1.79 CNC(=O)NC1CNC1 P49948 [0,1,0,1,0,0|2,0,0]=4 1005 B9R1.79 CNC(=O)OC1CNC1 P49999 [0,1,0,1,0,0|2,0,0]=4 1006 B9R1.79 COC(=O)C=C1CCC1 P48215 [0,1,0,1,0,0|0,0,2]=4 1007 B9R1.79 COC(=O)CC1CCC1 O28770 [0,1,0,1,0,0|0,0,0]=2 1008 B9R1.79 COC(=O)CC1CNC1 C-3312 [0,1,0,1,0,0|1,0,0]=3 1009 B9R1.79 COC(=O)CC1CNC1 C-3312-1 [0,1,0,1,0,0|1,0,0]=3 1010 B9R1.79 COC(=O)CC1CNC1 P34702 [0,1,0,1,0,0|1,0,0]=3 1011 B9R1.79 COC(=O)CC1COC1 G-5284 [0,1,0,1,0,0|1,0,0]=3 1012 B9R1.79 COC(=O)NC1CNC1 P47019 [0,1,0,1,0,0|2,0,0]=4 1013 B9R1.79 COC(=O)NC1CNC1 P48973 [0,1,0,1,0,0|2,0,0]=4 1014 B9R1.79 O=C(CBr)CC1CCC1 P47346 [0,1,0,1,0,0|0,0,0]=2 1015 B9R1.80 COC(=O)CNC1CC1 L20586 [0,1,0,1,0,0|1,0,0]=3 1016 B9R1.80 COC(=O)CNC1CC1 P36966 [0,1,0,1,0,0|1,0,0]=3 1017 B9R1.80 COC(=O)\C=C\C1CC1 O29404 [0,1,0,1,0,0|0,0,2]=4 1018 B9R1.80 O=C(CCl)NCC1CC1 M23153 [0,1,0,1,0,0|1,0,0]=3 1019 B9R1.81 COC(=O)C1CCC1N P48812 [0,1,0,1,0,0|1,0,0]=3 1020 B9R1.81 COC(=O)C1CCN1C P45741 [0,1,0,1,0,0|1,0,0]=3 1021 B9R1.81 COC(=O)C1CNC1C L14496 [0,1,0,1,0,0|1,0,0]=3 1022 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N F-4529 [0,1,0,1,0,0|1,0,0]=3 1023 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N G-6951 [0,1,0,1,0,0|1,0,0]=3 1024 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N K12006 [0,1,0,1,0,0|1,0,0]=3 1025 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N P48655 [0,1,0,1,0,0|1,0,0]=3 1026 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N P50299 [0,1,0,1,0,0|1,0,0]=3 1027 B9R1.81 COC(=O)[C@@H]1CC[C@H]1N P47008 [0,1,0,1,0,0|1,0,0]=3 1028 B9R1.81 COC(=O)[C@@H]1CC[C@H]1N Q56097 [0,1,0,1,0,0|1,0,0]=3 1029 B9R1.81 COC(=O)[C@@H]1CN[C@H]1C P50301 [0,1,0,1,0,0|1,0,0]=3 1030 B9R1.81 COC(=O)[C@H]1CC[C@H]1N P48086 [0,1,0,1,0,0|1,0,0]=3 1031 B9R1.81 COC(=O)[C@H]1CC[C@H]1N Q52809 [0,1,0,1,0,0|1,0,0]=3 1032 B9R1.88 COC(=O)C1CC1CN I-9340 [0,1,0,1,0,0|1,0,0]=3 1033 B9R1.88 COC(=O)[C@H]1C[C@@H]1CO Q54349 [0,1,0,1,0,0|1,0,0]=3 1034 B9R1.118 CC1(C=O)CCCCC1 O31789 [0,1,0,1,0,0|0,0,1]=3 1035 B9R1.118 CC1(C=O)CCOCC1 H-8874 [0,1,0,1,0,0|1,0,1]=4 1036 B9R1.118 CC1(CBr)CCCCC1 Q59533 [0,1,0,1,0,0|1,0,1]=4 1037 B9R1.118 CC1(CO)CCCCC1 P41365 [0,1,0,1,0,0|0,0,2]=4 1038 B9R1.118 CCC1(N)CCCCC1 Q59746 [0,1,0,1,0,0|1,0,1]=4 1039 B9R1.118 NC1(CO)CCCCC1 P37508 [0,1,0,1,0,0|1,0,1]=4 1040 B9R1.118 OC1(CBr)CCCCC1 L20240 [0,1,0,1,0,0|0,0,2]=4 1041 B9R1.118 OCC1(F)CCCCC1 P49673 [0,1,0,1,0,0|1,0,1]=4 1042 B9R1.132 CN1C(=O)CCC1CBr L20735 [0,1,0,1,0,0|1,0,0]=3 1043 B9R1.132 CN1C(=O)CCC1CO M23749 [0,1,0,1,0,0|1,0,0]=3 1044 B9R1.132 CN1C(=O)CC[C@@H]1CN Q64631 [0,1,0,1,0,0|1,0,0]=3 1045 B9R1.132 CN1C(=O)CC[C@@H]1CO Q64630 [0,1,0,1,0,0|1,0,0]=3 1046 B9R1.132 CN1C(=O)CC[C@H]1CO Q64629 [0,1,0,1,0,0|1,0,0]=3 1047 B9R1.6 CC(=O)C1CCCCC1 I-9265 [0,1,0,1,0,0|0,0,0]=2 1048 B9R1.6 CC(=O)C1CCCCN1 O30407 [0,1,0,1,0,0|0,0,0]=2 1049 B9R1.6 CC(=O)C1CCCCN1 O30418 [0,1,0,1,0,0|0,0,0]=2 1050 B9R1.6 CC(=O)C1CCCNC1 P35296 [0,1,0,1,0,0|0,0,0]=2 1051 B9R1.6 CC(=O)C1CCCOC1 Q57702 [0,1,0,1,0,0|0,0,0]=2 1052 B9R1.6 CC(=O)C1CCOCC1 I-9300 [0,1,0,1,0,0|0,0,0]=2 1053 B9R1.6 CC(=O)C1CCSCC1 Q57990 [0,1,0,1,0,0|0,0,0]=2 1054 B9R1.6 CC(C)C1CCNCC1 P43343 [0,1,0,1,0,0|1,0,1]=4 1055 B9R1.6 CC(N)C1CCCCC1 M23210 [0,1,0,1,0,0|1,0,1]=4 1056 B9R1.6 CC(N)C1CCCCO1 Q57678 [0,1,0,1,0,0|1,0,1]=4 1057 B9R1.6 CC(N)C1CCCOC1 Q57833 [0,1,0,1,0,0|1,0,1]=4 1058 B9R1.6 CC(N)C1CCCOC1 Q57834 [0,1,0,1,0,0|1,0,1]=4 1059 B9R1.6 CC(N)C1CCOCC1 Q66046 [0,1,0,1,0,0|1,0,1]=4 1060 B9R1.6 CC(O)C1CCCCC1 P42370 [0,1,0,1,0,0|0,0,2]=4 1061 B9R1.6 CN(C)C1CCCNC1 10066 [0,1,0,1,0,0|2,0,0]=4 1062 B9R1.6 CN(C)C1CCCNC1 O28829 [0,1,0,1,0,0|2,0,0]=4 1063 B9R1.6 CN(C)[C@H]1CCCNC1 Q53267 [0,1,0,1,0,0|2,0,0]=4 1064 B9R1.6 C[C@@H](N)C1CCCCO1 Q57872 [0,1,0,1,0,0|1,0,1]=4 1065 B9R1.6 C[C@@H](N)C1CCCCO1 Q57873 [0,1,0,1,0,0|1,0,1]=4 1066 B9R1.6 C[C@@H](N)C1CCOCC1 Q63002 [0,1,0,1,0,0|1,0,1]=4 1067 B9R1.6 C[C@@H](N)C1CCOCC1 Q63003 [0,1,0,1,0,0|1,0,1]=4 1068 B9R1.6 C[C@@H](O)C1CCOCC1 Q54596 [0,1,0,1,0,0|0,0,2]=4 1069 B9R1.6 C[C@H](N)C1CCCOC1 Q57835 [0,1,0,1,0,0|1,0,1]=4 1070 B9R1.6 C[C@H](N)C1CCOCC1 Q63000 [0,1,0,1,0,0|1,0,1]=4 1071 B9R1.6 C[C@H](N)C1CCOCC1 Q63001 [0,1,0,1,0,0|1,0,1]=4 1072 B9R1.6 C[C@H](O)C1CCOCC1 Q54595 [0,1,0,1,0,0|0,0,2]=4 1073 B9R1.6 N=C(N)C1CCOCC1 G-5995 [0,1,0,1,0,0|2,0,0]=4 1074 B9R1.6 NC(=O)C1CCCCS1 Q57965 [0,1,0,1,0,0|1,0,0]=3 1075 B9R1.6 NC(=O)C1CCNCC1 I-9159 [0,1,0,1,0,0|1,0,0]=3 1076 B9R1.6 NC(=O)[C@@H]1CCCNC1 G-5263 [0,1,0,1,0,0|1,0,0]=3 1077 B9R1.6 NC(=O)[C@@H]1CCCNC1 P44161 [0,1,0,1,0,0|1,0,0]=3 1078 B9R1.6 NC(=O)[C@H]1CC=CCC1 P46148 [0,1,0,1,0,0|1,0,1]=4 1079 B9R1.6 NC(=O)[C@H]1CCCNC1 G-5264 [0,1,0,1,0,0|1,0,0]=3 1080 B9R1.6 NC(=O)[C@H]1CCCNC1 P35476 [0,1,0,1,0,0|1,0,0]=3 1081 B9R1.6 NC(=S)C1CCCOC1 Q57656 [0,1,0,1,0,0|1,1,0]=4 1082 B9R1.6 O=C(Cl)C1CCOCC1 O30883 [0,1,0,1,0,0|1,0,0]=3 1083 B9R1.6 O=C(O)C1CCCCS1 Q57885 [0,1,0,1,0,0|1,0,0]=3 1084 B9R1.6 O=C(O)C1CCCNC1 Q68914 [0,1,0,1,0,0|1,0,0]=3 1085 B9R1.6 O=C(O)C1CCCNC1 Q68915 [0,1,0,1,0,0|1,0,0]=3 1086 B9R1.6 O=C(O)C1CCCOC1 C-3481 [0,1,0,1,0,0|1,0,0]=3 1087 B9R1.6 O=C(O)C1CCCSC1 G-5680 [0,1,0,1,0,0|1,0,0]=3 1088 B9R1.6 O=C(O)C1CCOCC1 C-3267 [0,1,0,1,0,0|1,0,0]=3 1089 B9R1.6 O=C(O)C1CCSCC1 I-9620 [0,1,0,1,0,0|1,0,0]=3 1090 B9R1.6 O=C(O)C1CNCCN1 G-6608 [0,1,0,1,0,0|2,0,0]=4 1091 B9R1.6 O=C(O)C1CNCCO1 B-1026 [0,1,0,1,0,0|2,0,0]=4 1092 B9R1.6 O=C(O)C1CNCCS1 P51392 [0,1,0,1,0,0|2,0,0]=4 1093 B9R1.6 O=C(O)C1COCCN1 10206 [0,1,0,1,0,0|2,0,0]=4 1094 B9R1.6 O=C(O)C1COCCN1 O28641 [0,1,0,1,0,0|2,0,0]=4 1095 B9R1.6 O=C(O)C1COCCO1 O34332 [0,1,0,1,0,0|2,0,0]=4 1096 B9R1.6 O=C(O)C1CSCCN1 A-595 [0,1,0,1,0,0|2,0,0]=4 1097 B9R1.6 O=C(O)C1CSCCN1 O31853 [0,1,0,1,0,0|2,0,0]=4 1098 B9R1.6 O=C(O)[C@@H]1CC=CCC1 I-9874 [0,1,0,1,0,0|1,0,1]=4 1099 B9R1.6 O=C(O)[C@@H]1CCCCO1 L18365 [0,1,0,1,0,0|1,0,0]=3 1100 B9R1.6 O=C(O)[C@@H]1CCCOC1 Q63448 [0,1,0,1,0,0|1,0,0]=3 1101 B9R1.6 O=C(O)[C@@H]1CNCCN1 G-6607 [0,1,0,1,0,0|2,0,0]=4 1102 B9R1.6 O=C(O)[C@@H]1CNCCN1 G-6939 [0,1,0,1,0,0|2,0,0]=4 1103 B9R1.6 O=C(O)[C@@H]1CNCCO1 B-1027 [0,1,0,1,0,0|2,0,0]=4 1104 B9R1.6 O=C(O)[C@@H]1COCCN1 10205 [0,1,0,1,0,0|2,0,0]=4 1105 B9R1.6 O=C(O)[C@@H]1COCCN1 B-1036 [0,1,0,1,0,0|2,0,0]=4 1106 B9R1.6 O=C(O)[C@@H]1COCCO1 O34581 [0,1,0,1,0,0|2,0,0]=4 1107 B9R1.6 O=C(O)[C@@H]1CSCCN1 A-596 [0,1,0,1,0,0|2,0,0]=4 1108 B9R1.6 O=C(O)[C@H]1CC=CCC1 G-7812 [0,1,0,1,0,0|1,0,1]=4 1109 B9R1.6 O=C(O)[C@H]1CCCCO1 L21810 [0,1,0,1,0,0|1,0,0]=3 1110 B9R1.6 O=C(O)[C@H]1CCCOC1 Q63449 [0,1,0,1,0,0|1,0,0]=3 1111 B9R1.6 O=C(O)[C@H]1CNCCN1 G-6940 [0,1,0,1,0,0|2,0,0]=4 1112 B9R1.6 O=C(O)[C@H]1CNCCO1 10203 [0,1,0,1,0,0|2,0,0]=4 1113 B9R1.6 O=C(O)[C@H]1CNCCO1 B-1028 [0,1,0,1,0,0|2,0,0]=4 1114 B9R1.6 O=C(O)[C@H]1COCCN1 B-1037 [0,1,0,1,0,0|2,0,0]=4 1115 B9R1.6 O=C(O)[C@H]1COCCN1 I-9498 [0,1,0,1,0,0|2,0,0]=4 1116 B9R1.6 O=C(O)[C@H]1COCCO1 O34574 [0,1,0,1,0,0|2,0,0]=4 1117 B9R1.6 O=C(O)[C@H]1CSCCN1 A-597 [0,1,0,1,0,0|2,0,0]=4 1118 B9R1.6 O=[N+]([O-])C1CCNCC1 Q64791 [0,1,0,1,0,0|2,0,0]=4 1119 B9R1.40 CC1(O)CCCCC1N Q59554 [0,1,0,1,0,0|0,0,2]=4 1120 B9R1.40 CC1CCCCC1(C)O Q59744 [0,1,0,1,0,0|0,0,2]=4 1121 B9R1.67 CC(=O)OC1CCC1O P49892 [0,1,0,1,0,0|1,0,0]=3 1122 B9R1.67 CC1CCN1CC(=O)O P47040 [0,1,0,1,0,0|1,0,0]=3 1123 B9R1.67 CC1CCN1CC(=O)O P47963 [0,1,0,1,0,0|1,0,0]=3 1124 B9R1.84 CC(=O)NCC1CNC1 P42074 [0,1,0,1,0,0|1,0,0]=3 1125 B9R1.84 CC(C)NCC1CCC1 P47037 [0,1,0,1,0,0|1,0,1]=4 1126 B9R1.84 CC(C)NCC1CCC1 P49825 [0,1,0,1,0,0|1,0,1]=4 1127 B9R1.84 CC(O)CNC1CCC1 P49156 [0,1,0,1,0,0|0,0,2]=4 1128 B9R1.84 NC(=O)COC1CNC1 P48539 [0,1,0,1,0,0|2,0,0]=4 1129 B9R1.84 NC(=O)COC1CNC1 P48745 [0,1,0,1,0,0|2,0,0]=4 1130 B9R1.84 NC(=S)NCC1CCC1 P49815 [0,1,0,1,0,0|1,1,0]=4 1131 B9R1.84 O=C(O)C#CC1CCC1 P48727 [0,1,0,1,0,0|1,0,1]=4 1132 B9R1.84 O=C(O)CCC1CCC1 P34709 [0,1,0,1,0,0|1,0,0]=3 1133 B9R1.84 O=C(O)CCC1CCO1 Q58424 [0,1,0,1,0,0|1,0,0]=3 1134 B9R1.84 O=C(O)CNC1CCC1 I-9681 [0,1,0,1,0,0|1,0,0]=3 1135 B9R1.84 O=C(O)COC1CCC1 P44175 [0,1,0,1,0,0|1,0,0]=3 1136 B9R1.84 O=C(O)\C=C\C1CCC1 P44576 [0,1,0,1,0,0|1,0,1]=4 1137 B9R1.84 O=C([O-])CCC1CCO1 Q57244 [0,1,0,1,0,0|1,0,0]=3 1138 B9R1.85 O=C(O)COCC1CC1 P39397 [0,1,0,1,0,0|1,0,0]=3 1139 B9R1.96 CC(=O)N1CCC1CO P46183 [0,1,0,1,0,0|1,0,0]=3 1140 B9R1.96 CC(=O)N1CC[C@@H]1CO P46139 [0,1,0,1,0,0|1,0,0]=3 1141 B9R1.96 CC(=O)N1CC[C@H]1CO P46142 [0,1,0,1,0,0|1,0,0]=3 1142 B9R1.96 CCC1CCC1C(=O)O P47971 [0,1,0,1,0,0|1,0,0]=3 1143 B9R1.96 CCC1CN[C@@H]1C(=O)O L21366 [0,1,0,1,0,0|1,0,0]=3 1144 B9R1.96 CCN1CCC1C(=O)O P48309 [0,1,0,1,0,0|1,0,0]=3 1145 B9R1.96 CCN1CC[C@H]1C(=O)O L14215 [0,1,0,1,0,0|1,0,0]=3 1146 B9R1.96 CN(C)C1CCC1CO P46904 [0,1,0,1,0,0|2,0,0]=4 1147 B9R1.96 CN(C)[C@@H]1CC[C@H]1CO P50275 [0,1,0,1,0,0|2,0,0]=4 1148 B9R1.96 CN(C)[C@H]1CC[C@H]1CO P50818 [0,1,0,1,0,0|2,0,0]=4 1149 B9R1.96 CO[C@@H]1CC[C@@H]1C(=O)O P50796 [0,1,0,1,0,0|1,0,0]=3 1150 B9R1.96 CO[C@@H]1CC[C@H]1C(=O)O P48367 [0,1,0,1,0,0|1,0,0]=3 1151 B9R1.96 N#CC1CCC1C(=O)O L18042 [0,1,0,1,0,0|1,0,1]=4 1152 B9R1.96 O=C(O)C1CCC1CF P48305 [0,1,0,1,0,0|1,0,0]=3 1153 B9R1.96 O=C(O)N1CCC1CO P47009 [0,1,0,1,0,0|2,0,0]=4 1154 B9R1.148 CC1(O)CCCNCC1 G-5238 [0,1,0,1,0,0|0,0,2]=4 1155 B9R1.148 CC1(O)CCCNCC1 G-5238-01 [0,1,0,1,0,0|0,0,2]=4 1156 B9R1.23 CC1C[C@@H](CO)NC1=O Q61857 [0,1,0,1,0,0|2,0,0]=4 1157 B9R1.23 CN1CC(CBr)CC1=O L20739 [0,1,0,1,0,0|2,0,0]=4 1158 B9R1.23 CN1CC(CN)CC1=O I-9450 [0,1,0,1,0,0|2,0,0]=4 1159 B9R1.23 CN1CC(CN)CC1=O L18600 [0,1,0,1,0,0|2,0,0]=4 1160 B9R1.23 CN1CC(CO)CC1=O L22372 [0,1,0,1,0,0|2,0,0]=4 1161 B9R1.23 CN1C[C@@H](CN)CC1=O Q64125 [0,1,0,1,0,0|2,0,0]=4 1162 B9R1.23 CN1C[C@H](CN)CC1=O Q64124 [0,1,0,1,0,0|2,0,0]=4 1163 B9R1.35 CC(=O)N1CCC(I)C1 Q57221 [0,1,0,1,0,0|1,0,0]=3 1164 B9R1.35 CC(=O)N1CCC(N)C1 L14137 [0,1,0,1,0,0|1,0,0]=3 1165 B9R1.35 CC(=O)N1CC[C@@H](N)C1 P43139 [0,1,0,1,0,0|1,0,0]=3 1166 B9R1.35 CC(=O)N1CC[C@@H](O)C1 G-5907 [0,1,0,1,0,0|1,0,0]=3 1167 B9R1.35 CC(=O)N1CC[C@H](N)C1 P43073 [0,1,0,1,0,0|1,0,0]=3 1168 B9R1.35 CN1CCC(C(=O)O)C1 O28273 [0,1,0,1,0,0|2,0,0]=4 1169 B9R1.35 CN1CCC(C(=O)O)C1 O30600 [0,1,0,1,0,0|2,0,0]=4 1170 B9R1.35 CN1CC[C@@H](C(=O)O)C1 G-6130 [0,1,0,1,0,0|2,0,0]=4 1171 B9R1.35 CN1CC[C@@H](C(=O)O)C1 G-6130-01 [0,1,0,1,0,0|2,0,0]=4 1172 B9R1.35 CN1CC[C@H](C(=O)O)C1 G-6129 [0,1,0,1,0,0|2,0,0]=4 1173 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 O32949 [0,1,0,1,0,0|1,0,0]=3 1174 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 Q53020 [0,1,0,1,0,0|1,0,0]=3 1175 B9R1.35 C[C@@H]1CC[C@H](C(=O)O)N1 Q53019 [0,1,0,1,0,0|1,0,0]=3 1176 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 Q52436 [0,1,0,1,0,0|1,0,0]=3 1177 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 Q52437 [0,1,0,1,0,0|1,0,0]=3 1178 B9R1.35 C[C@H]1CC[C@H](C(=O)O)N1 O32956 [0,1,0,1,0,0|1,0,0]=3 1179 B9R1.35 C[C@H]1CN[C@H](C(=O)O)C1 Q52337 [0,1,0,1,0,0|2,0,0]=4 1180 B9R1.35 NC(=O)N1CCC(N)C1 Q59176 [0,1,0,1,0,0|2,0,0]=4 1181 B9R1.35 NC1CCC(C(=O)O)C1 G-7403 [0,1,0,1,0,0|1,0,0]=3 1182 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 10009 [0,1,0,1,0,0|1,0,0]=3 1183 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 F-4734 [0,1,0,1,0,0|1,0,0]=3 1184 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 L21283 [0,1,0,1,0,0|1,0,0]=3 1185 B9R1.35 N[C@@H]1CN[C@@H](C(=O)O)C1 P39234 [0,1,0,1,0,0|2,0,0]=4 1186 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 P40794 [0,1,0,1,0,0|2,0,0]=4 1187 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 10164 [0,1,0,1,0,0|1,0,0]=3 1188 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 P44640 [0,1,0,1,0,0|1,0,0]=3 1189 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 L21252 [0,1,0,1,0,0|1,0,0]=3 1190 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 Q52275 [0,1,0,1,0,0|1,0,0]=3 1191 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 A-335 [0,1,0,1,0,0|2,0,0]=4 1192 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 Q61690 [0,1,0,1,0,0|2,0,0]=4 1193 B9R1.35 O=C(O)C1CCC(F)C1 Q54410 [0,1,0,1,0,0|1,0,0]=3 1194 B9R1.35 O=C(O)C1C[C@H](O)CN1 A-345 [0,1,0,1,0,0|2,0,0]=4 1195 B9R1.35 O=C(O)[C@@H]1CC[C@@H](F)C1 Q61734 [0,1,0,1,0,0|1,0,0]=3 1196 B9R1.35 O=C(O)[C@@H]1CC[C@@H](F)C1 Q63412 [0,1,0,1,0,0|1,0,0]=3 1197 B9R1.35 O=C(O)[C@@H]1CC[C@@H](O)C1 Q63408 [0,1,0,1,0,0|1,0,0]=3 1198 B9R1.35 O=C(O)[C@@H]1CC[C@H](F)C1 Q61733 [0,1,0,1,0,0|1,0,0]=3 1199 B9R1.35 O=C(O)[C@@H]1CC[C@H](F)C1 Q63414 [0,1,0,1,0,0|1,0,0]=3 1200 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 Q63410 [0,1,0,1,0,0|1,0,0]=3 1201 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 A-341 [0,1,0,1,0,0|2,0,0]=4 1202 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 G-6984 [0,1,0,1,0,0|2,0,0]=4 1203 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 A-344 [0,1,0,1,0,0|2,0,0]=4 1204 B9R1.35 O=C(O)[C@@H]1C[C@@H](S)CN1 L21815 [0,1,0,1,0,0|2,0,0]=4 1205 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 O30697 [0,1,0,1,0,0|2,0,0]=4 1206 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 L22413 [0,1,0,1,0,0|2,0,0]=4 1207 B9R1.35 O=C(O)[C@H]1CC[C@@H](F)C1 Q63413 [0,1,0,1,0,0|1,0,0]=3 1208 B9R1.35 O=C(O)[C@H]1CC[C@@H](O)C1 Q63409 [0,1,0,1,0,0|1,0,0]=3 1209 B9R1.35 O=C(O)[C@H]1CC[C@H](F)C1 Q63411 [0,1,0,1,0,0|1,0,0]=3 1210 B9R1.35 O=C(O)[C@H]1CC[C@H](O)C1 Q63407 [0,1,0,1,0,0|1,0,0]=3 1211 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 H-8063 [0,1,0,1,0,0|2,0,0]=4 1212 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 H-8063-01 [0,1,0,1,0,0|2,0,0]=4 1213 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 L13532 [0,1,0,1,0,0|2,0,0]=4 1214 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 G-7739 [0,1,0,1,0,0|2,0,0]=4 1215 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 P41300 [0,1,0,1,0,0|2,0,0]=4 1216 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 P44659 [0,1,0,1,0,0|2,0,0]=4 1217 B9R1.35 O=C1CCC(C(=O)O)C1 G-6041 [0,1,0,1,0,0|1,0,1]=4 1218 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 L13054 [0,1,0,1,0,0|1,0,1]=4 1219 B9R1.35 O=C1CC[C@H](C(=O)O)C1 L13053 [0,1,0,1,0,0|1,0,1]=4 1220 B9R1.69 CC1CC(=O)CCC1O P44912 [0,1,0,1,0,0|0,0,0]=2 1221 B9R1.69 CN1CCC(N)CC1=O C-2257 [0,1,0,1,0,0|2,0,0]=4 1222 B9R1.69 C[C@@H]1CC(=O)CC[C@H]1O P49131 [0,1,0,1,0,0|0,0,0]=2 1223 B9R1.69 C[C@@H]1CCC(=O)CN1C Q56726 [0,1,0,1,0,0|1,0,0]=3 1224 B9R1.69 C[C@H]1CCC(=O)CN1C Q56727 [0,1,0,1,0,0|1,0,0]=3 1225 B9R1.95 CC(=O)N1CC(CN)C1 P47074 [0,1,0,1,0,0|2,0,0]=4 1226 B9R1.95 CC(=O)N1CC(CO)C1 P48310 [0,1,0,1,0,0|2,0,0]=4 1227 B9R1.95 CCC1CC(C(=O)O)C1 P45348 [0,1,0,1,0,0|1,0,0]=3 1228 B9R1.95 CCN1CC(C(=O)O)C1 H-8216 [0,1,0,1,0,0|2,0,0]=4 1229 B9R1.95 CNC1CC(C(=O)O)C1 P48460 [0,1,0,1,0,0|2,0,0]=4 1230 B9R1.95 COC1CC(C(=O)O)C1 F-4385 [0,1,0,1,0,0|2,0,0]=4 1231 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 G-7356 [0,1,0,1,0,0|2,0,0]=4 1232 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 G-7357 [0,1,0,1,0,0|2,0,0]=4 1233 B9R1.95 NCC1CC(C(=O)O)C1 L14512 [0,1,0,1,0,0|2,0,0]=4 1234 B9R1.95 NCC1CC(C(=O)O)C1 P48866 [0,1,0,1,0,0|2,0,0]=4 1235 B9R1.95 NC[C@H]1C[C@@H](C(=O)O)C1 P48252 [0,1,0,1,0,0|2,0,0]=4 1236 B9R1.95 NC[C@H]1C[C@@H](C(=O)O)C1 P48255 [0,1,0,1,0,0|2,0,0]=4 1237 B9R1.95 NC[C@H]1C[C@H](C(=O)O)C1 P47233 [0,1,0,1,0,0|2,0,0]=4 1238 B9R1.95 O=C(O)C1CC(CBr)C1 P49897 [0,1,0,1,0,0|2,0,0]=4 1239 B9R1.95 O=C(O)C1CC(CF)C1 P47785 [0,1,0,1,0,0|2,0,0]=4 1240 B9R1.95 O=C(O)C1CC(CO)C1 D-2561 [0,1,0,1,0,0|2,0,0]=4 1241 B9R1.95 O=C(O)[C@H]1C[C@@H](CO)C1 P47160 [0,1,0,1,0,0|2,0,0]=4 1242 B9R1.95 O=C(O)[C@H]1C[C@H](CO)C1 P47223 [0,1,0,1,0,0|2,0,0]=4 1243 B9R1.110 CC(=O)N(C)C1CNC1 G-5720 [0,1,0,1,0,0|2,0,0]=4 1244 B9R1.110 CC(C(=O)O)C1CCC1 P49848 [0,1,0,1,0,0|1,0,0]=3 1245 B9R1.110 CC(C(=O)O)C1CCO1 Q56202 [0,1,0,1,0,0|2,0,0]=4 1246 B9R1.110 CC(C(=O)O)C1CNC1 P47100 [0,1,0,1,0,0|2,0,0]=4 1247 B9R1.110 CC(C(=O)O)C1CNC1 P47946 [0,1,0,1,0,0|2,0,0]=4 1248 B9R1.110 CC(C(=O)O)N1CCC1 P43803 [0,1,0,1,0,0|2,0,0]=4 1249 B9R1.110 NC(C(=O)O)C1CCC1 G-7603 [0,1,0,1,0,0|1,0,0]=3 1250 B9R1.110 NC(C(=O)O)C1CCC1 P48639 [0,1,0,1,0,0|1,0,0]=3 1251 B9R1.110 NC(C(=O)O)C1COC1 F-4658 [0,1,0,1,0,0|2,0,0]=4 1252 B9R1.110 N[C@@H](C(=O)O)C1CCC1 I-9625 [0,1,0,1,0,0|1,0,0]=3 1253 B9R1.110 N[C@@H](C(=O)O)C1COC1 G-7604 [0,1,0,1,0,0|2,0,0]=4 1254 B9R1.110 N[C@H](C(=O)O)C1COC1 G-7605 [0,1,0,1,0,0|2,0,0]=4 1255 B9R1.110 O=C(O)C(F)C1COC1 Q63100 [0,1,0,1,0,0|2,0,0]=4 1256 B9R1.110 O=C(O)C(O)C1CCC1 P48825 [0,1,0,1,0,0|1,0,0]=3 1257 B9R1.110 O=C(O)[C@@H](O)C1CCC1 P45090 [0,1,0,1,0,0|1,0,0]=3 1258 B9R1.110 O=C(O)[C@H](O)C1CCC1 P46146 [0,1,0,1,0,0|1,0,0]=3 1259 B9R1.112 NC(=O)C(N)CC1CC1 P50523 [0,1,0,1,0,0|1,0,0]=3 1260 B9R1.112 NC(CC1CC1)C(=O)O O28074 [0,1,0,1,0,0|1,0,0]=3 1261 B9R1.112 N[C@@H](CC1CC1)C(=O)O O28950 [0,1,0,1,0,0|1,0,0]=3 1262 B9R1.112 N[C@H](CC1CC1)C(=O)O O28870 [0,1,0,1,0,0|1,0,0]=3 1263 B9R1.112 O=C(O)[C@@H](O)CC1CC1 P38965 [0,1,0,1,0,0|1,0,0]=3 1264 B9R1.112 O=C(O)[C@H](O)CC1CC1 P40522 [0,1,0,1,0,0|1,0,0]=3 1265 B9R1.163 CC1(C(=O)O)CCCC1 Q61035 [0,1,0,1,0,0|1,0,0]=3 1266 B9R1.163 CC1(C(=O)O)CCCN1 P40785 [0,1,0,1,0,0|2,0,0]=4 1267 B9R1.163 CC1(C(=O)O)CCNC1 P35438 [0,1,0,1,0,0|2,0,0]=4 1268 B9R1.163 CC1(C(=O)O)CCOC1 I-9010 [0,1,0,1,0,0|2,0,0]=4 1269 B9R1.163 C[C@@]1(C(=O)O)CCCN1 G-5500 [0,1,0,1,0,0|2,0,0]=4 1270 B9R1.163 C[C@@]1(C(=O)O)CCCN1 M22903 [0,1,0,1,0,0|2,0,0]=4 1271 B9R1.163 C[C@@]1(C(=O)O)CCNC1 Q61994 [0,1,0,1,0,0|2,0,0]=4 1272 B9R1.163 C[C@]1(C(=O)O)CCCN1 G-6115 [0,1,0,1,0,0|2,0,0]=4 1273 B9R1.163 C[C@]1(C(=O)O)CCNC1 Q61995 [0,1,0,1,0,0|2,0,0]=4 1274 B9R1.163 NC(=S)C1(N)CCCC1 Q59159 [0,1,0,1,0,0|1,1,0]=4 1275 B9R1.163 NC1(C(=O)O)CCNC1 P43160 [0,1,0,1,0,0|2,0,0]=4 1276 B9R1.163 NC1(C(=O)O)CCNC1 P45155 [0,1,0,1,0,0|2,0,0]=4 1277 B9R1.163 NC1(C(=O)O)CCOC1 C-3361 [0,1,0,1,0,0|2,0,0]=4 1278 B9R1.163 N[C@]1(C(=O)O)CCNC1 Q59170 [0,1,0,1,0,0|2,0,0]=4 1279 B9R1.163 O=C(O)C1(F)CCCC1 Q57009 [0,1,0,1,0,0|1,0,0]=3 1280 B9R1.163 O=C(O)C1(F)CCNC1 L21913 [0,1,0,1,0,0|2,0,0]=4 1281 B9R1.163 O=C(O)[C@@]1(F)CCNC1 Q61821 [0,1,0,1,0,0|2,0,0]=4 1282 B9R1.163 O=C(O)[C@@]1(F)CCNC1 Q61822 [0,1,0,1,0,0|2,0,0]=4 1283 B9R1.163 O=C(O)[C@]1(F)CCNC1 Q61819 [0,1,0,1,0,0|2,0,0]=4 1284 B9R1.163 O=C(O)[C@]1(F)CCNC1 Q61820 [0,1,0,1,0,0|2,0,0]=4 1285 B9R1.10 CC1(C)CCC(Br)CC1 P45889 [0,1,0,1,0,0|1,0,1]=4 1286 B9R1.10 CC1(C)CCC(N)CC1 P44532 [0,1,0,1,0,0|1,0,1]=4 1287 B9R1.10 CC1(C)CCC(O)CC1 P44654 [0,1,0,1,0,0|1,0,1]=4 1288 B9R1.10 CC1(F)CCC(N)CC1 P49390 [0,1,0,1,0,0|1,0,1]=4 1289 B9R1.10 CC1(F)CCC(N)CC1 Q54924 [0,1,0,1,0,0|1,0,1]=4 1290 B9R1.10 CC1(O)CCC(N)CC1 G-7518 [0,1,0,1,0,0|0,0,2]=4 1291 B9R1.10 CC1CCC(C)(N)CC1 Q59745 [0,1,0,1,0,0|1,0,1]=4 1292 B9R1.10 C[C@]1(N)CC[C@@H](O)CC1 L13270 [0,1,0,1,0,0|1,0,1]=4 1293 B9R1.10 C[C@]1(N)CC[C@@H](O)CC1 P43901 [0,1,0,1,0,0|1,0,1]=4 1294 B9R1.10 C[C@]1(N)CC[C@H](O)CC1 G-7987 [0,1,0,1,0,0|1,0,1]=4 1295 B9R1.10 C[C@]1(N)CC[C@H](O)CC1 P48357 [0,1,0,1,0,0|1,0,1]=4 1296 B9R1.10 C[C@]1(O)CC[C@@H](N)CC1 G-6710 [0,1,0,1,0,0|0,0,2]=4 1297 B9R1.10 C[C@]1(O)CC[C@@H](O)CC1 L21398 [0,1,0,1,0,0|0,0,2]=4 1298 B9R1.10 C[C@]1(O)CC[C@H](N)CC1 G-6711 [0,1,0,1,0,0|0,0,2]=4 1299 B9R1.10 C[C@]1(O)CC[C@H](O)CC1 P49152 [0,1,0,1,0,0|0,0,2]=4 1300 B9R1.10 NC1CCS(=O)(=O)CC1 G-7271 [0,1,0,1,0,0|2,0,0]=4 1301 B9R1.10 NC1CCS(=O)(=O)CC1 L14029 [0,1,0,1,0,0|2,0,0]=4 1302 B9R1.10 O=S1(=O)CCC(Cl)CC1 Q57880 [0,1,0,1,0,0|2,0,0]=4 1303 B9R1.10 O=S1(=O)CCC(I)CC1 Q57884 [0,1,0,1,0,0|2,0,0]=4 1304 B9R1.55 N[C@H]1[C@@H](C(=O)O)C[C@H]1O P45721 [0,1,0,1,0,0|2,0,0]=4 1305 B9R1.55 N[C@H]1[C@@H](O)C[C@H]1C(=O)O P46166 [0,1,0,1,0,0|2,0,0]=4 1306 B9R1.82 COC(=O)C1CC(=O)C1 C-2246 [0,1,0,1,0,0|1,0,1]=4 1307 B9R1.125 CC1(CN)CCC(=O)N1 Q65054 [0,1,0,1,0,0|2,0,0]=4 1308 B9R1.125 CC1(CO)CCC(=O)N1 Q65055 [0,1,0,1,0,0|2,0,0]=4 1309 B9R1.125 CC1(CO)CNC(=O)C1 Q61575 [0,1,0,1,0,0|2,0,0]=4 1310 B9R1.133 CNC1CCS(=O)(=O)C1 P37594 [0,1,0,1,0,0|2,0,0]=4 1311 B9R1.19 CC(C)(O)C1CCCC1 P41191 [0,1,0,1,0,0|0,0,2]=4 1312 B9R1.19 CS(=O)(=O)C1CCNC1 C-2251 [0,1,0,1,0,0|2,0,0]=4 1313 B9R1.19 CS(=O)(=O)C1CCNC1 L21899 [0,1,0,1,0,0|2,0,0]=4 1314 B9R1.19 CS(=O)(=O)[C@@H]1CCNC1 G-5244 [0,1,0,1,0,0|2,0,0]=4 1315 B9R1.19 CS(=O)(=O)[C@H]1CCNC1 G-5245 [0,1,0,1,0,0|2,0,0]=4 1316 B9R1.19 O=S(=O)(O)C1CCCC1 L14360 [0,1,0,1,0,0|2,0,0]=4 1317 B9R1.114 CS(=O)(=O)CC1CNC1 F-4515 [0,1,0,1,0,0|2,0,0]=4 1318 B9R1.114 CS(=O)(=O)CC1CNC1 P48615 [0,1,0,1,0,0|2,0,0]=4 1319 B9R1.114 NS(=O)(=O)CC1CCC1 P45606 [0,1,0,1,0,0|2,0,0]=4 1320 B9R1.114 O=S(=O)(Cl)CC1CCC1 P49293 [0,1,0,1,0,0|2,0,0]=4 1321 B9R1.166 CC1(C)CCC1C(=O)O P45623 [0,1,0,1,0,0|1,0,0]=3 1322 B9R1.166 CC1(C)CN[C@@H]1C(=O)O L13876 [0,1,0,1,0,0|2,0,0]=4 1323 B9R1.166 CC1(C)CN[C@H]1C(=O)O P46143 [0,1,0,1,0,0|2,0,0]=4 1324 B9R1.166 CC1(C)OCC1C(=O)O Q52795 [0,1,0,1,0,0|2,0,0]=4 1325 B9R1.166 O=C(O)C1CCC1(F)F F-4689 [0,1,0,1,0,0|2,0,0]=4 1326 B9R1.170 O=C(O)CC1CC1(F)F L14164 [0,1,0,1,0,0|2,0,0]=4 1327 B9R2.33 O=C1CC2CCC2C1 Q54738 [0,0,0,2,0,0|0,0,0]=2 1328 B9R2.33 O=C1NC2CCC2O1 Q58026 [0,0,0,2,0,0|2,0,0]=4 1329 B9R2.39 BrC1CC2CCC1C2 P45805 [0,0,0,2,0,0|1,0,1]=4 1330 B9R2.39 NC1CC2CCC1C2 P41250 [0,0,0,2,0,0|1,0,1]=4 1331 B9R2.39 NC1CC2CCC1C2 P45140 [0,0,0,2,0,0|1,0,1]=4 1332 B9R2.39 N[C@@H]1C[C@@H]2CC[C@H]1C2 P45110 [0,0,0,2,0,0|1,0,1]=4 1333 B9R2.39 N[C@@H]1C[C@H]2CC[C@@H]1C2 P48888 [0,0,0,2,0,0|1,0,1]=4 1334 B9R2.39 N[C@H]1C[C@@H]2CC[C@H]1C2 P45111 [0,0,0,2,0,0|1,0,1]=4 1335 B9R2.39 N[C@H]1C[C@H]2CC[C@@H]1C2 P44165 [0,0,0,2,0,0|1,0,1]=4 1336 B9R2.39 N[C@H]1C[C@H]2CC[C@@H]1C2 P49356 [0,0,0,2,0,0|1,0,1]=4 1337 B9R2.39 O=C1CC2CC1CN2 P47120 [0,0,0,2,0,0|1,0,0]=3 1338 B9R2.39 O=C1CC2CC1CO2 P49791 [0,0,0,2,0,0|1,0,0]=3 1339 B9R2.39 O=C1CC2CCC1O2 P45436 [0,0,0,2,0,0|1,0,0]=3 1340 B9R2.39 O=C1CC2CNC1C2 P46610 [0,0,0,2,0,0|1,0,0]=3 1341 B9R2.39 O=C1CN2CCC1C2 P44394 [0,0,0,2,0,0|1,0,0]=3 1342 B9R2.39 O=C1C[C@@H]2CC[C@H]1C2 P45557 [0,0,0,2,0,0|0,0,0]=2 1343 B9R2.39 O=C1C[C@@H]2CC[C@H]1C2 Q52554 [0,0,0,2,0,0|0,0,0]=2 1344 B9R2.39 O=C1C[C@H]2C[C@@H]1CN2 P49261 [0,0,0,2,0,0|1,0,0]=3 1345 B9R2.39 O=C1NC2CCC1C2 P45900 [0,0,0,2,0,0|1,0,0]=3 1346 B9R2.39 O=C1OC2CCC1C2 P45453 [0,0,0,2,0,0|1,0,0]=3 1347 B9R2.39 O=C1OC2CNC1C2 L19710 [0,0,0,2,0,0|2,0,0]=4 1348 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 P45200 [0,0,0,2,0,0|2,0,0]=4 1349 B9R2.39 OC1CC2CCC1C2 P47714 [0,0,0,2,0,0|0,0,2]=4 1350 B9R2.39 O[C@H]1C[C@H]2CC[C@@H]1C2 P45404 [0,0,0,2,0,0|0,0,2]=4 1351 B9R2.39 [C@H]12CC[C@H](C1)[C@@H](O)C2 K13497 [0,0,0,2,0,0|0,0,2]=4 1352 B9R2.68 C1CC2CCC(C1)N2 G-5152 [0,0,0,2,0,0|1,0,1]=4 1353 B9R2.68 C1CC2CCC(C1)N2 P44257 [0,0,0,2,0,0|1,0,1]=4 1354 B9R2.110 NC12CCC(CC1)C2 P46202 [0,0,0,2,0,0|1,0,1]=4 1355 B9R2.110 OC12CCC(CC1)C2 P45527 [0,0,0,2,0,0|0,0,2]=4 1356 B9R2.139 NC1CCC2(CC2)C1 Q54479 [0,0,0,2,0,0|1,0,1]=4 1357 B9R2.139 O=C1CC2(CC2)CO1 O33397 [0,0,0,2,0,0|1,0,0]=3 1358 B9R2.139 O=C1CCC2(CC2)C1 Q62619 [0,0,0,2,0,0|0,0,0]=2 1359 B9R2.139 OC1CCC2(CC2)C1 Q62620 [0,0,0,2,0,0|0,0,2]=4 1360 B9R2.8 NC1CC2CC(C1)C2 P49248 [0,0,0,2,0,0|1,0,1]=4 1361 B9R2.8 O=C1CC2CC(C1)C2 P47305 [0,0,0,2,0,0|0,0,0]=2 1362 B9R2.8 OC1CC2CC(C1)C2 P48685 [0,0,0,2,0,0|0,0,2]=4 1363 B9R2.21 O=C1CC2CC2CN1 Q53445 [0,0,0,2,0,0|1,0,0]=3 1364 B9R2.21 O=C1CCC2CC2N1 Q53446 [0,0,0,2,0,0|1,0,0]=3 1365 B9R2.38 CC12CC(=O)CC1C2 Q63055 [0,0,0,2,0,0|0,0,0]=2 1366 B9R2.96 NC12CCCC(C1)C2 P46279 [0,0,0,2,0,0|1,0,1]=4 1367 B9R2.96 OC12CCCC(C1)C2 P48879 [0,0,0,2,0,0|0,0,2]=4 1368 B9R2.109 NC1CCCC2CC12 Q63668 [0,0,0,2,0,0|1,0,1]=4 1369 B9R2.109 NC1CCCC2CC12 Q63669 [0,0,0,2,0,0|1,0,1]=4 1370 B9R2.109 N[C@@H]1CCC[C@H]2C[C@H]21 Q63670 [0,0,0,2,0,0|1,0,1]=4 1371 B9R2.109 N[C@H]1CCC[C@H]2C[C@@H]12 Q63671 [0,0,0,2,0,0|1,0,1]=4 1372 B9R2.109 O=C1CCCC2CC12 H-8032 [0,0,0,2,0,0|0,0,0]=2 1373 B9R2.109 O=C1CCCC2OC12 10693 [0,0,0,2,0,0|1,0,0]=3 1374 B9R2.109 O=C1COCC2CC12 Q63936 [0,0,0,2,0,0|1,0,0]=3 1375 B9R2.109 O=C1NCCC2CC12 Q61174 [0,0,0,2,0,0|1,0,0]=3 1376 B9R2.109 OC1CCCC2CC12 Q63664 [0,0,0,2,0,0|0,0,2]=4 1377 B9R2.109 O[C@@H]1CCC[C@@H]2C[C@H]12 Q63667 [0,0,0,2,0,0|0,0,2]=4 1378 B9R2.109 O[C@H]1CCC[C@H]2C[C@@H]12 Q63665 [0,0,0,2,0,0|0,0,2]=4 1379 B9R2.109 O[C@H]1CCC[C@H]2C[C@@H]12 Q63666 [0,0,0,2,0,0|0,0,2]=4 1380 B9R2.7 O=C1CC2CC=CC12 Q56018 [0,0,0,2,0,0|0,0,2]=4 1381 B9R2.7 O=C1CC2CNCC12 Q55051 [0,0,0,2,0,0|1,0,0]=3 1382 B9R2.41 O=C1CC(C2CC2)C1 L14529 [0,0,0,2,0,0|0,0,0]=2 1383 B9R2.138 BrC1CC2(CCC2)C1 Q52853 [0,0,0,2,0,0|1,0,1]=4 1384 B9R2.138 NC1CC2(CCC2)C1 L22041 [0,0,0,2,0,0|1,0,1]=4 1385 B9R2.138 O=C1CC2(CCC2)C1 I-9995 [0,0,0,2,0,0|0,0,0]=2 1386 B9R2.138 O=C1CC2(CCC2)N1 Q70166 [0,0,0,2,0,0|1,0,0]=3 1387 B9R2.138 O=C1CC2(CNC2)C1 F-4151 [0,0,0,2,0,0|1,0,0]=3 1388 B9R2.138 O=C1CC2(CNC2)C1 L14187 [0,0,0,2,0,0|1,0,0]=3 1389 B9R2.138 O=C1CC2(CNC2)C1 Q52715 [0,0,0,2,0,0|1,0,0]=3 1390 B9R2.138 O=C1CC2(COC2)C1 G-5107 [0,0,0,2,0,0|1,0,0]=3 1391 B9R2.138 O=C1CC2(CSC2)C1 G-7804 [0,0,0,2,0,0|1,0,0]=3 1392 B9R2.138 OC1CC2(CCC2)C1 L14371 [0,0,0,2,0,0|0,0,2]=4 1393 B9R2.144 O=C(O)C12CCC1C2 Q54741 [0,0,0,2,0,0|1,0,0]=3 1394 B9R2.6 NC12CCCCC1C2 P46405 [0,0,0,2,0,0|1,0,1]=4 1395 B9R2.6 NC12CCCCC1C2 Q65216 [0,0,0,2,0,0|1,0,1]=4 1396 B9R2.52 C1CCC2CC2NC1 Q58075 [0,0,0,2,0,0|1,0,1]=4 1397 B9R2.123 NC1C2CCCCC12 P44913 [0,0,0,2,0,0|1,0,1]=4 1398 B9R2.123 NC1C2CCCCC12 Q53099 [0,0,0,2,0,0|1,0,1]=4 1399 B9R2.147 O=C(O)C1C2CC1C2 Q53412 [0,0,0,2,0,0|1,0,0]=3 1400 B9R2.143 O=C(O)C1CC12CC2 L18059 [0,0,0,2,0,0|1,0,0]=3