0 B5R0.3 C#CC(=O)NC L19171 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 CC(CBr)CBr O34172 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.3 CC(CN)CO O30604 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.3 CNC(=O)CBr P38653 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.3 CNC(=O)CN P37877 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.3 CNC(=O)CO P37539 [0,0,0,0,0,0|2,0,0]=2 6 B5R0.3 CNC(C)CO M23268 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.3 CN[C@@H](C)CO P38191 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.3 CN[C@H](C)CO P41018 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.3 COC(=N)CCl P36514 [0,0,0,0,0,0|4,0,0]=4 10 B5R0.3 NCC(O)CF M23924 [0,0,0,0,0,0|2,0,2]=4 11 B5R0.3 NC[C@@H](F)CO L22313 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.3 NC[C@@H](O)CCl Q69638 [0,0,0,0,0,0|2,0,2]=4 13 B5R0.3 NC[C@H](F)CO O33576 [0,0,0,0,0,0|2,0,1]=3 14 B4R0.1 C#CC(C)=O P41295 [1,0,0,0,0,0|1,0,1]=3 15 B4R0.1 C#CC(N)=O O30795 [1,0,0,0,0,0|2,0,1]=4 16 B4R0.1 C=C(C)CN P39039 [1,0,0,0,0,0|2,0,0]=3 17 B4R0.1 CC(=O)CN P45193 [1,0,0,0,0,0|1,0,0]=2 18 B4R0.1 CC(Br)CO O34000 [1,0,0,0,0,0|1,0,1]=3 19 B4R0.1 CC(C)NO O30196 [1,0,0,0,0,0|2,0,1]=4 20 B4R0.1 CC(N)CS L19436 [1,0,0,0,0,0|1,1,1]=4 21 B4R0.1 CC(S)CN L19389 [1,0,0,0,0,0|1,1,1]=4 22 B4R0.1 C[C@@H](Cl)CO 10058 [1,0,0,0,0,0|1,0,1]=3 23 B4R0.2 NCCCS A-986 [1,0,0,0,0,0|1,1,1]=4 24 B4R0.2 NCCCS M15465 [1,0,0,0,0,0|1,1,1]=4 25 B6R0.1 CCC(=O)CC#N P38761 [0,1,0,0,0,0|2,0,0]=3 26 B6R0.1 CCC(S)CCO O29430 [0,1,0,0,0,0|1,1,1]=4 27 B6R0.1 CCC[C@@H](N)CO P35977 [0,1,0,0,0,0|2,0,1]=4 28 B6R0.1 CCC[C@H](N)CO P39535 [0,1,0,0,0,0|2,0,1]=4 29 B6R0.1 CCN(C)CCO Q66070 [0,1,0,0,0,0|3,0,0]=4 30 B6R0.1 CCNC(=O)CN P39222 [0,1,0,0,0,0|2,0,0]=3 31 B6R0.1 CCNC(=O)CO O31312 [0,1,0,0,0,0|1,0,0]=2 32 B6R0.1 CCNC(=O)NC M15284 [0,1,0,0,0,0|3,0,0]=4 33 B6R0.1 CCOC(=N)CCl P38507 [0,1,0,0,0,0|3,0,0]=4 34 B6R0.1 CNC(=O)CCCl P38167 [0,1,0,0,0,0|3,0,0]=4 35 B6R0.1 CNC(=O)CCN P37692 [0,1,0,0,0,0|3,0,0]=4 36 B6R0.1 CNCC(=O)NC P37691 [0,1,0,0,0,0|3,0,0]=4 37 B6R0.1 CNCC(=O)NC P38046 [0,1,0,0,0,0|3,0,0]=4 38 B6R0.3 CC(C)[C@@H](N)CO L13788 [0,1,0,0,0,0|2,0,1]=4 39 B6R0.3 CCC(N)C(C)O L20519 [0,1,0,0,0,0|2,0,1]=4 40 B6R0.3 CN(C)C(=O)CN P36418 [0,1,0,0,0,0|3,0,0]=4 41 B6R0.3 CNC(=O)C(C)N P38407 [0,1,0,0,0,0|3,0,0]=4 42 B6R0.3 CNC(=O)[C@@H](C)N P37080 [0,1,0,0,0,0|3,0,0]=4 43 B6R0.3 CNC(=O)[C@H](C)N P37082 [0,1,0,0,0,0|3,0,0]=4 44 B6R0.3 C[C@H](CO)C(=O)O 10021 [0,1,0,0,0,0|1,0,2]=4 45 B6R0.8 CC(F)(CO)CO Q69405 [0,1,0,0,0,0|1,0,1]=3 46 B6R0.8 CCC(C)(C)CO O30180 [0,1,0,0,0,0|2,0,1]=4 47 B6R0.8 NCC(F)(F)CO F-4867 [0,1,0,0,0,0|2,0,1]=4 48 B6R0.8 OCC(F)(F)CO O32548 [0,1,0,0,0,0|1,0,1]=3 49 B6R0.9 NCC(CO)CO F-4437 [0,1,0,0,0,0|1,0,1]=3 50 B6R0.9 OCC(CO)CO F-4239 [0,1,0,0,0,0|0,0,2]=3 51 B6R1.2 BrC1CCOC1 C-3309 [0,0,0,1,0,0|2,0,1]=4 52 B6R1.2 IC1=COCC1 Q53484 [0,0,0,1,0,0|2,0,1]=4 53 B6R1.2 IC1CCOC1 C-3308 [0,0,0,1,0,0|2,0,1]=4 54 B6R1.2 I[C@@H]1CCOC1 G-5348 [0,0,0,1,0,0|2,0,1]=4 55 B6R1.2 I[C@H]1CCOC1 G-5349 [0,0,0,1,0,0|2,0,1]=4 56 B6R1.2 NC1CCOC1 B-1171 [0,0,0,1,0,0|2,0,1]=4 57 B6R1.2 NC1CCOC1 P39935 [0,0,0,1,0,0|2,0,1]=4 58 B6R1.2 N[C@@H]1CCOC1 F-4072 [0,0,0,1,0,0|2,0,1]=4 59 B6R1.2 N[C@@H]1CCOC1 G-5144 [0,0,0,1,0,0|2,0,1]=4 60 B6R1.2 N[C@H]1CCOC1 F-4071 [0,0,0,1,0,0|2,0,1]=4 61 B6R1.2 N[C@H]1CCOC1 G-5145 [0,0,0,1,0,0|2,0,1]=4 62 B6R1.2 O=C1CCNC1 C-2247 [0,0,0,1,0,0|2,0,0]=3 63 B6R1.2 O=C1CCNC1 S72535 [0,0,0,1,0,0|2,0,0]=3 64 B6R1.2 O=C1CCOC1 B-1767 [0,0,0,1,0,0|1,0,0]=2 65 B6R1.2 O=C1CCSC1 G-7753 [0,0,0,1,0,0|1,1,0]=3 66 B6R1.2 OC1CCOC1 C-3328 [0,0,0,1,0,0|1,0,2]=4 67 B6R1.2 O[C@@H]1CCOC1 G-5347 [0,0,0,1,0,0|1,0,2]=4 68 B6R1.2 O[C@H]1CCOC1 G-6766 [0,0,0,1,0,0|1,0,2]=4 69 B6R1.4 CC1CCC1=O P47956 [0,0,0,1,0,0|2,0,0]=3 70 B6R1.4 CC1CCC1O L20058 [0,0,0,1,0,0|2,0,1]=4 71 B6R1.4 CC1OCC1=O L18036 [0,0,0,1,0,0|1,0,0]=2 72 B6R1.4 CC1OCC1Br Q56171 [0,0,0,1,0,0|2,0,1]=4 73 B6R1.4 CC1OCC1I Q56172 [0,0,0,1,0,0|2,0,1]=4 74 B6R1.4 CC1OCC1N Q56170 [0,0,0,1,0,0|2,0,1]=4 75 B6R1.4 CC1OCC1O L18037 [0,0,0,1,0,0|1,0,2]=4 76 B6R1.4 C[C@@H]1OC[C@H]1O Q56119 [0,0,0,1,0,0|1,0,2]=4 77 B6R1.4 C[C@H]1OC[C@H]1O Q56118 [0,0,0,1,0,0|1,0,2]=4 78 B6R1.4 NC1CCC1O P45290 [0,0,0,1,0,0|2,0,1]=4 79 B6R1.4 NC1CCC1O P48134 [0,0,0,1,0,0|2,0,1]=4 80 B6R1.4 NN1CCC1=O P48248 [0,0,0,1,0,0|3,0,0]=4 81 B6R1.4 N[C@@H]1CC[C@@H]1O P43811 [0,0,0,1,0,0|2,0,1]=4 82 B6R1.4 N[C@@H]1CC[C@@H]1O P45279 [0,0,0,1,0,0|2,0,1]=4 83 B6R1.4 N[C@@H]1CC[C@@H]1O P45323 [0,0,0,1,0,0|2,0,1]=4 84 B6R1.4 N[C@@H]1CC[C@H]1O P45283 [0,0,0,1,0,0|2,0,1]=4 85 B6R1.4 N[C@@H]1CC[C@H]1O P46699 [0,0,0,1,0,0|2,0,1]=4 86 B6R1.4 N[C@@H]1CC[C@H]1O P46700 [0,0,0,1,0,0|2,0,1]=4 87 B6R1.4 N[C@@H]1CC[C@H]1O P47798 [0,0,0,1,0,0|2,0,1]=4 88 B6R1.4 N[C@@H]1CNC1=O P44692 [0,0,0,1,0,0|3,0,0]=4 89 B6R1.4 N[C@@H]1CNC1=O P50494 [0,0,0,1,0,0|3,0,0]=4 90 B6R1.4 N[C@H]1CC[C@@H]1O O33030 [0,0,0,1,0,0|2,0,1]=4 91 B6R1.4 N[C@H]1CC[C@@H]1O P46969 [0,0,0,1,0,0|2,0,1]=4 92 B6R1.4 N[C@H]1CC[C@H]1O P45237 [0,0,0,1,0,0|2,0,1]=4 93 B6R1.4 N[C@H]1CC[C@H]1O P46397 [0,0,0,1,0,0|2,0,1]=4 94 B6R1.4 N[C@H]1CNC1=O P44185 [0,0,0,1,0,0|3,0,0]=4 95 B6R1.4 N[C@H]1CNC1=O Q52584 [0,0,0,1,0,0|3,0,0]=4 96 B6R1.4 O=C1CCC1Br P49445 [0,0,0,1,0,0|2,0,0]=3 97 B6R1.4 O=C1CCC1O P47312 [0,0,0,1,0,0|1,0,0]=2 98 B6R1.4 O=C1NCC1O P45440 [0,0,0,1,0,0|2,0,0]=3 99 B6R1.4 OC1CCC1F P46352 [0,0,0,1,0,0|2,0,1]=4 100 B6R1.4 OC1CCC1O P50009 [0,0,0,1,0,0|1,0,2]=4 101 B6R1.4 O[C@@H]1CC[C@H]1O P45708 [0,0,0,1,0,0|1,0,2]=4 102 B6R1.4 O[C@H]1CC[C@H]1O P45709 [0,0,0,1,0,0|1,0,2]=4 103 B6R1.6 BrCC1COC1 L21563 [0,0,0,1,0,0|2,0,1]=4 104 B6R1.6 ClCC1COC1 P45001 [0,0,0,1,0,0|2,0,1]=4 105 B6R1.6 ICC1COC1 G-5215 [0,0,0,1,0,0|2,0,1]=4 106 B6R1.6 NCC1COC1 C-2244 [0,0,0,1,0,0|2,0,1]=4 107 B6R1.6 NCC1COC1 L21567 [0,0,0,1,0,0|2,0,1]=4 108 B6R1.6 OCC1CCN1 G-7151 [0,0,0,1,0,0|2,0,1]=4 109 B6R1.6 OCC1CCO1 F-4043 [0,0,0,1,0,0|1,0,2]=4 110 B6R1.6 OCC1CNC1 A-421 [0,0,0,1,0,0|2,0,1]=4 111 B6R1.6 OCC1CNC1 L14018 [0,0,0,1,0,0|2,0,1]=4 112 B6R1.6 OCC1COC1 C-2291 [0,0,0,1,0,0|1,0,1]=3 113 B6R1.6 OCC1CSC1 H-8021 [0,0,0,1,0,0|1,1,1]=4 114 B6R1.6 OC[C@@H]1CCN1 B-1106 [0,0,0,1,0,0|2,0,1]=4 115 B6R1.6 OC[C@@H]1CCN1 P36030 [0,0,0,1,0,0|2,0,1]=4 116 B6R1.6 OC[C@@H]1CCO1 Q56225 [0,0,0,1,0,0|1,0,2]=4 117 B6R1.6 OC[C@H]1CCN1 B-1105 [0,0,0,1,0,0|2,0,1]=4 118 B6R1.6 OC[C@H]1CCN1 P35007 [0,0,0,1,0,0|2,0,1]=4 119 B6R1.6 OC[C@H]1CCO1 Q53294 [0,0,0,1,0,0|1,0,2]=4 120 B6R1.6 ON=C1CCC1 P45801 [0,0,0,1,0,0|3,0,0]=4 121 B6R1.7 CC1(CO)CC1 L14025 [0,0,0,1,0,0|2,0,1]=4 122 B6R1.7 C[C@@]1(CO)CO1 Q55273 [0,0,0,1,0,0|1,0,1]=3 123 B6R1.7 NC1(CO)CC1 G-6370 [0,0,0,1,0,0|2,0,1]=4 124 B6R1.7 NC1(CO)CC1 I-9535 [0,0,0,1,0,0|2,0,1]=4 125 B6R1.8 C[C@H]1C[C@H]1CO P43750 [0,0,0,1,0,0|2,0,1]=4 126 B3R0.2 CC(=O)[O-] P38729 [2,0,0,0,0,0|0,0,1]=3 127 B3R0.2 CC(=O)[O-] P40879 [2,0,0,0,0,0|0,0,1]=3 128 B3R0.2 C[PH](C)=O O30537 [2,0,0,0,0,0|1,0,0]=3 129 B5R0.1 C=C(C)CON P51484 [1,1,0,0,0,0|1,0,0]=3 130 B5R0.1 CC(N)CCO P39048 [1,1,0,0,0,0|1,0,1]=4 131 B5R0.1 CC(O)CON M15150 [1,1,0,0,0,0|0,0,2]=4 132 B5R0.1 COCC(=N)N O34478 [1,1,0,0,0,0|2,0,0]=4 133 B5R0.1 COCC(C)Br O32164 [1,1,0,0,0,0|1,0,1]=4 134 B5R0.1 C[C@@H](N)CCO F-4752 [1,1,0,0,0,0|1,0,1]=4 135 B5R0.1 C[C@H](N)CCO F-4570 [1,1,0,0,0,0|1,0,1]=4 136 B5R0.1 O=C(O)CCF A-698 [1,1,0,0,0,0|1,0,0]=3 137 B5R0.4 CC(C)(F)CO P45778 [1,1,0,0,0,0|1,0,1]=4 138 B5R0.5 C=C(C)B(O)O P51397 [1,1,0,0,0,0|2,0,0]=4 139 B5R0.5 C=C(F)C(=O)O P51526 [1,1,0,0,0,0|1,0,1]=4 140 B5R0.5 CC(N)C(C)O P38125 [1,1,0,0,0,0|1,0,1]=4 141 B5R0.5 CC(N)C(N)=O P37963 [1,1,0,0,0,0|2,0,0]=4 142 B5R0.5 CC(O)C(N)=O P39940 [1,1,0,0,0,0|1,0,0]=3 143 B5R0.5 C[C@@H](O)C(=N)N P38252 [1,1,0,0,0,0|2,0,0]=4 144 B5R0.5 C[C@@H](O)C(N)=O P37171 [1,1,0,0,0,0|1,0,0]=3 145 B5R0.5 C[C@H](O)C(=N)N P41718 [1,1,0,0,0,0|2,0,0]=4 146 B5R0.2 C#CCCCO P37563 [1,1,0,0,0,0|1,0,1]=4 147 B5R0.2 NCC#CCO L20035 [1,1,0,0,0,0|1,0,1]=4 148 B7R0.2 CC(C)NC(=O)CBr P36229 [0,2,0,0,0,0|2,0,0]=4 149 B7R0.2 CC(C)NC(=O)CN P36647 [0,2,0,0,0,0|2,0,0]=4 150 B7R0.2 CC(C)NC(=O)CN P37073 [0,2,0,0,0,0|2,0,0]=4 151 B7R0.2 CCC(=O)CC(=O)O P43007 [0,2,0,0,0,0|1,0,0]=3 152 B7R0.2 CCC(=O)CC(C)=O O31794 [0,2,0,0,0,0|1,0,1]=4 153 B7R0.2 CNC(=O)CC(=O)O P38150 [0,2,0,0,0,0|2,0,0]=4 154 B7R0.2 N[C@@H](CO)CC(=O)O Q68983 [0,2,0,0,0,0|1,0,1]=4 155 B7R0.2 N[C@@H](CO)CC(=O)O Q68986 [0,2,0,0,0,0|1,0,1]=4 156 B7R0.2 N[C@H](CO)CC(=O)O Q68987 [0,2,0,0,0,0|1,0,1]=4 157 B7R0.2 N[C@H](CO)CC(=O)O Q68989 [0,2,0,0,0,0|1,0,1]=4 158 B7R0.3 CCCNC(=O)CN P36648 [0,2,0,0,0,0|2,0,0]=4 159 B7R0.3 O=C(CCl)\N=C\NO L19373 [0,2,0,0,0,0|1,0,1]=4 160 B7R0.5 CCOC(=O)C(=O)O P37044 [0,2,0,0,0,0|1,0,1]=4 161 B7R0.7 CCNC(=O)CC#N P41076 [0,2,0,0,0,0|2,0,0]=4 162 B7R0.7 CCNC(=O)CCN P36830 [0,2,0,0,0,0|2,0,0]=4 163 B7R0.7 CCNC(=O)CNC P35209 [0,2,0,0,0,0|2,0,0]=4 164 B7R0.7 CCNC(=O)CNC P39556 [0,2,0,0,0,0|2,0,0]=4 165 B7R0.7 CCOC(=O)CCI P36879 [0,2,0,0,0,0|2,0,0]=4 166 B7R0.7 CCOC(=O)NCO Q69358 [0,2,0,0,0,0|1,0,0]=3 167 B7R0.10 CCC(=O)N(C)OC P42839 [0,2,0,0,0,0|2,0,0]=4 168 B7R0.10 CCN(C)C(=O)CN P36486 [0,2,0,0,0,0|2,0,0]=4 169 B7R0.11 COCC(C)(C)CO O31179 [0,2,0,0,0,0|1,0,1]=4 170 B7R0.14 CCC(=O)C(C)(C)C O30499 [0,2,0,0,0,0|2,0,0]=4 171 B7R0.14 CCC(=O)C(F)(F)F P38408 [0,2,0,0,0,0|2,0,0]=4 172 B7R0.15 NC[C@@H](CO)C(=O)O Q69031 [0,2,0,0,0,0|1,0,1]=4 173 B7R0.15 NC[C@@H](CO)C(=O)O Q69034 [0,2,0,0,0,0|1,0,1]=4 174 B7R0.15 NC[C@H](CO)C(=O)O Q69035 [0,2,0,0,0,0|1,0,1]=4 175 B7R0.15 NC[C@H](CO)C(=O)O Q69038 [0,2,0,0,0,0|1,0,1]=4 176 B5R1.2 BrC1COC1 C-2448 [1,0,0,1,0,0|1,0,1]=4 177 B5R1.2 C=C1CCC1 P49771 [1,0,0,1,0,0|2,0,0]=4 178 B5R1.2 C=C1COC1 Q53034 [1,0,0,1,0,0|1,0,0]=3 179 B5R1.2 ClC1COC1 L21610 [1,0,0,1,0,0|1,0,1]=4 180 B5R1.2 IC1COC1 C-2449 [1,0,0,1,0,0|1,0,1]=4 181 B5R1.2 NC1COC1 C-2472 [1,0,0,1,0,0|1,0,1]=4 182 B5R1.2 NC1COC1 O31926 [1,0,0,1,0,0|1,0,1]=4 183 B5R1.2 O=C1CCN1 P35040 [1,0,0,1,0,0|2,0,0]=4 184 B5R1.2 O=C1CNC1 C-2452 [1,0,0,1,0,0|1,0,0]=3 185 B5R1.2 O=C1COC1 A-880 [1,0,0,1,0,0|0,0,0]=2 186 B5R1.2 O=C1CSC1 A-895 [1,0,0,1,0,0|0,1,0]=3 187 B5R1.2 OC1COC1 B-1102 [1,0,0,1,0,0|0,0,2]=4 188 B5R1.2 SC1COC1 G-6845 [1,0,0,1,0,0|0,1,1]=4 189 B5R1.1 C1CSCO1 P51538 [1,0,0,1,0,0|2,0,0]=4 190 B7R1.1 OCC1=COC=N1 G-6097 [0,1,0,1,0,0|1,0,1]=4 191 B7R1.1 OCC1=NOC=C1 G-7175 [0,1,0,1,0,0|1,0,1]=4 192 B7R1.1 OCC1CCOC1 C-3387 [0,1,0,1,0,0|1,0,1]=4 193 B7R1.1 OC[C@@H]1CCOC1 C-2787 [0,1,0,1,0,0|1,0,1]=4 194 B7R1.1 OC[C@H]1CCOC1 C-2788 [0,1,0,1,0,0|1,0,1]=4 195 B7R1.2 O=C1C=CC(O)C1 O30118 [0,1,0,1,0,0|1,0,1]=4 196 B7R1.2 O=C1C=C[C@H](O)C1 Q54463 [0,1,0,1,0,0|1,0,1]=4 197 B7R1.2 O=C1CC(O)CN1 P39299 [0,1,0,1,0,0|2,0,0]=4 198 B7R1.2 O=C1CCC(=O)C1 I-9301 [0,1,0,1,0,0|1,0,1]=4 199 B7R1.2 O=C1CCC(Br)C1 Q56972 [0,1,0,1,0,0|2,0,0]=4 200 B7R1.2 O=C1CCC(F)C1 Q55724 [0,1,0,1,0,0|2,0,0]=4 201 B7R1.2 O=C1CCC(O)C1 H-8145 [0,1,0,1,0,0|1,0,0]=3 202 B7R1.2 O=C1CNC(=O)C1 L18257 [0,1,0,1,0,0|1,0,1]=4 203 B7R1.2 O=C1C[C@@H](O)CN1 M22799 [0,1,0,1,0,0|2,0,0]=4 204 B7R1.3 C=C1CCCOC1 Q54979 [0,1,0,1,0,0|2,0,0]=4 205 B7R1.3 C=C1CCOCC1 L13714 [0,1,0,1,0,0|2,0,0]=4 206 B7R1.3 O=C1C=CCOC1 L22520 [0,1,0,1,0,0|1,0,1]=4 207 B7R1.3 O=C1C=COCC1 Q54629 [0,1,0,1,0,0|1,0,1]=4 208 B7R1.3 O=C1CC=CCC1 Q53604 [0,1,0,1,0,0|2,0,0]=4 209 B7R1.3 O=C1CCCNC1 A-184 [0,1,0,1,0,0|2,0,0]=4 210 B7R1.3 O=C1CCCOC1 G-6070 [0,1,0,1,0,0|1,0,0]=3 211 B7R1.3 O=C1CCCSC1 G-5937 [0,1,0,1,0,0|1,1,0]=4 212 B7R1.3 O=C1CCOCC1 B-1770 [0,1,0,1,0,0|1,0,0]=3 213 B7R1.3 O=C1CCSCC1 C-2949 [0,1,0,1,0,0|1,1,0]=4 214 B7R1.3 O=C1CNCCO1 O28295 [0,1,0,1,0,0|2,0,0]=4 215 B7R1.3 O=C1COCCN1 B-1038 [0,1,0,1,0,0|1,0,0]=3 216 B7R1.4 CC1CCNC1=O O30375 [0,1,0,1,0,0|2,0,0]=4 217 B7R1.4 C[C@@H]1CCNC1=O Q61716 [0,1,0,1,0,0|2,0,0]=4 218 B7R1.4 C[C@H]1CCNC1=O Q61658 [0,1,0,1,0,0|2,0,0]=4 219 B7R1.4 NC1CCNC1=O F-4440 [0,1,0,1,0,0|2,0,0]=4 220 B7R1.4 N[C@@H]1CCNC1=O F-4458 [0,1,0,1,0,0|2,0,0]=4 221 B7R1.4 N[C@@H]1COC[C@H]1O H-8080 [0,1,0,1,0,0|1,0,1]=4 222 B7R1.4 N[C@H]1CCNC1=O F-4459 [0,1,0,1,0,0|2,0,0]=4 223 B7R1.4 N[C@H]1CCNC1=O L14236 [0,1,0,1,0,0|2,0,0]=4 224 B7R1.4 N[C@H]1COC[C@@H]1O F-4615 [0,1,0,1,0,0|1,0,1]=4 225 B7R1.4 N[C@H]1COC[C@@H]1O H-8081 [0,1,0,1,0,0|1,0,1]=4 226 B7R1.4 N[C@H]1COC[C@H]1O L22268 [0,1,0,1,0,0|1,0,1]=4 227 B7R1.4 N[C@H]1COC[C@H]1O P45710 [0,1,0,1,0,0|1,0,1]=4 228 B7R1.4 O=C1CCC=C1O A-670 [0,1,0,1,0,0|1,0,1]=4 229 B7R1.4 O=C1CCCC1O Q61720 [0,1,0,1,0,0|1,0,0]=3 230 B7R1.4 O=C1NCCC1Br O31241 [0,1,0,1,0,0|2,0,0]=4 231 B7R1.4 O=C1NCCC1F Q62170 [0,1,0,1,0,0|2,0,0]=4 232 B7R1.4 O=C1NCCC1O D-2532 [0,1,0,1,0,0|1,0,0]=3 233 B7R1.4 O=C1NCC[C@@H]1F Q63592 [0,1,0,1,0,0|2,0,0]=4 234 B7R1.4 O=C1NCC[C@@H]1O F-4184 [0,1,0,1,0,0|1,0,0]=3 235 B7R1.4 O=C1NCC[C@H]1F Q63593 [0,1,0,1,0,0|2,0,0]=4 236 B7R1.4 O=C1NCC[C@H]1O O30124 [0,1,0,1,0,0|1,0,0]=3 237 B7R1.4 OC1CCC=C1Br O29401 [0,1,0,1,0,0|2,0,0]=4 238 B7R1.4 O[C@H]1COC[C@H]1O G-7040 [0,1,0,1,0,0|0,0,2]=4 239 B7R1.6 OCC=C1CCC1 P45610 [0,1,0,1,0,0|2,0,0]=4 240 B7R1.6 OCCC1COC1 G-5285 [0,1,0,1,0,0|1,0,1]=4 241 B7R1.8 CC1OCC1CO Q56093 [0,1,0,1,0,0|1,0,1]=4 242 B7R1.8 COC1CCC1=O P45632 [0,1,0,1,0,0|1,0,0]=3 243 B7R1.8 O=C1CCC1CO L18510 [0,1,0,1,0,0|1,0,0]=3 244 B7R1.8 OCC1CCC1O P50851 [0,1,0,1,0,0|1,0,1]=4 245 B7R1.8 OC[C@@H]1CC[C@H]1O P50820 [0,1,0,1,0,0|1,0,1]=4 246 B7R1.8 OC[C@H]1CC[C@H]1O P48230 [0,1,0,1,0,0|1,0,1]=4 247 B7R1.9 OC[C@H]1C[C@H]1CO L22279 [0,1,0,1,0,0|1,0,1]=4 248 B7R1.10 OCC1CC(O)C1 P49195 [0,1,0,1,0,0|1,0,1]=4 249 B7R1.15 C[C@@H]1NC(=O)[C@H]1N 10677 [0,1,0,1,0,0|2,0,0]=4 250 B7R1.15 C[C@@H]1NC(=O)[C@H]1N 10678 [0,1,0,1,0,0|2,0,0]=4 251 B7R1.22 CCC(=O)C1CC1 I-9941 [0,1,0,1,0,0|2,0,0]=4 252 B7R1.25 CC1(CO)CCO1 Q62788 [0,1,0,1,0,0|1,0,1]=4 253 B7R1.25 NC1(CO)COC1 G-5980 [0,1,0,1,0,0|1,0,1]=4 254 B7R1.25 OCC1(F)COC1 G-6298 [0,1,0,1,0,0|1,0,1]=4 255 B7R1.25 OCC1(O)COC1 L13940 [0,1,0,1,0,0|0,0,2]=4 256 B7R1.17 CC1(C)CCC1=O Q54759 [0,1,0,1,0,0|2,0,0]=4 257 B7R1.17 CC1(C)OCC1=O L22440 [0,1,0,1,0,0|1,0,0]=3 258 B7R1.18 CC(O)C1COC1 P47968 [0,1,0,1,0,0|1,0,1]=4 259 B7R1.18 C[C@@H](O)C1COC1 Q53307 [0,1,0,1,0,0|1,0,1]=4 260 B7R1.18 C[C@H](O)C1COC1 Q53308 [0,1,0,1,0,0|1,0,1]=4 261 B7R2.16 C1OCC12CO2 Q56041 [0,0,0,2,0,0|1,0,1]=4